REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 -1.073 -7.656 9.305 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 -0.841 1.112 5.367 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 2.079 -5.567 -1.601 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 12.556 -1.309 -10.333 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 -6.359 19.037 10.032 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 -8.845 1.902 -5.725 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 19.394 -4.380 -18.588 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 2.804 1.192 8.587 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 -1.076 2.712 -0.633 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 -1.300 6.796 7.432 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 9.696 -2.764 -7.804 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 3.699 2.587 2.552 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 3.068 10.318 -8.073 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 -11.781 1.339 -5.610 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 4.498 5.510 7.228 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 -0.492 0.298 8.420 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 -1.569 -0.472 0.051 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 4.341 -27.834 13.343 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 -9.751 -4.306 -11.493 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 -2.466 2.995 7.290 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 0.660 3.960 -2.589 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 3.197 0.837 -0.506 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 9.579 -1.908 -0.926 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 -41.830 9.297 1.677 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 9.481 2.586 -4.679 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 -2.946 -1.668 -23.246 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 5.038 -0.142 -5.892 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 -2.796 -13.980 6.099 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 5.100 -2.741 -0.037 1.00 0.00 SBOX O ATOM 30 P ADE A 9 -2.472 -0.894 0.848 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 -5.088 3.032 -4.672 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 -0.957 -4.969 -9.272 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 -2.738 3.481 -2.989 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 1.372 0.767 -1.445 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 -4.338 -2.550 3.848 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 -9.269 18.166 -8.520 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 9.482 -0.248 -2.186 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 5.282 -10.129 -5.741 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 -9.409 2.916 3.913 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 2.537 -13.975 2.870 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 13.001 15.204 -3.387 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 8.776 -1.690 8.136 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 -0.995 5.246 1.457 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 11.577 -3.100 -0.573 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 -2.724 -2.293 -2.123 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 -1.797 -6.827 2.685 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 -3.136 -0.548 -6.130 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 1.921 -3.992 0.958 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 -18.266 5.306 2.503 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 3.176 0.494 0.439 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 4.825 -4.628 1.139 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 2.383 0.547 -4.147 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 2.044 -2.975 -2.606 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 0.955 -1.656 -2.558 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 6.748 -1.203 8.911 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 -0.442 -5.701 7.002 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 -15.610 17.698 3.214 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 -12.015 4.587 9.488 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 -17.723 3.658 12.599 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 -4.084 8.572 2.830 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 -3.951 -8.492 -7.997 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 6.712 5.243 4.069 1.00 0.00 SBOX O ATOM 63 P ADE A 10 1.913 0.121 3.253 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 -4.659 -5.075 5.595 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 3.566 -2.714 -1.762 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 -1.416 -4.141 -4.221 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 -6.153 2.250 -3.935 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 -6.135 -2.411 -21.208 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 -7.958 0.076 -3.550 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 1.539 5.487 3.051 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 12.620 -18.583 -3.971 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 4.360 1.845 -5.372 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 -0.350 2.572 -5.064 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 -6.349 16.547 -13.701 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 4.148 4.763 4.562 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 -0.862 -5.744 2.366 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 -2.600 -5.710 0.792 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 -7.707 -1.373 1.597 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 -1.889 6.166 -0.198 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 0.382 1.316 -5.393 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 2.903 8.695 6.372 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 -3.683 9.031 9.729 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 -6.278 6.946 -13.139 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 -5.522 -3.540 1.019 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 2.524 -1.428 4.933 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 -5.676 -11.769 6.973 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 1.351 5.649 4.652 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 6.696 0.379 -4.790 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 0.247 -3.754 -4.262 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 -1.597 19.958 4.058 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 5.639 -1.766 9.263 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 -0.712 6.135 -15.594 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 -3.548 -3.566 1.919 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 5.296 -4.698 -0.102 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 -0.235 9.559 -1.502 1.00 0.00 SBOX O ATOM 96 P GUA A 11 -0.531 0.287 -1.183 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 3.303 -8.855 -1.759 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 -2.231 4.263 0.916 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 0.584 1.274 -1.802 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 8.575 -5.512 -3.290 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 10.678 21.889 21.103 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 33.127 4.112 -15.933 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 2.270 -4.987 2.747 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 3.818 11.747 -36.478 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 -1.300 7.327 -0.638 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 -5.079 -0.883 -2.095 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 -12.568 -5.061 0.259 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 1.896 -10.759 -3.350 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 -1.328 0.735 -3.491 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 -4.264 -14.106 3.417 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 -5.326 -5.103 1.128 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 3.625 6.903 -2.739 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 -7.423 4.911 -2.590 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 -2.451 -5.508 0.187 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 -6.414 -2.664 -0.739 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 -1.616 23.182 -8.825 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 0.593 1.921 0.011 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 1.925 -4.083 -2.766 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 -5.800 -21.659 3.798 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 14.744 3.121 -2.710 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 3.384 -0.927 -4.147 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 4.319 -0.344 2.088 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 9.185 5.300 3.123 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 13.992 7.344 5.257 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 -0.071 -2.817 1.587 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 -11.664 -10.071 -22.487 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 -4.698 0.086 -0.928 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 -7.465 6.401 -3.940 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 2.987 0.100 -1.985 1.00 0.00 SBOX O ATOM 130 P ADE A 12 2.323 2.805 -2.878 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 -2.118 7.267 4.130 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 2.189 1.096 -0.731 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 2.830 0.289 -0.489 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 -0.803 -6.215 3.366 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 -33.152 23.953 -25.584 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 12.325 16.290 15.093 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 5.464 -1.909 3.580 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 6.044 1.561 -4.846 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 -0.185 -2.297 4.703 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 -3.669 2.247 -1.884 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 -10.812 13.597 -4.218 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 -1.189 -1.780 -6.690 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 -4.083 4.369 7.248 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 -6.676 -19.363 4.200 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 1.782 0.039 3.096 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 1.167 -5.987 6.149 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 0.382 0.030 0.273 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 1.329 -5.776 -1.039 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 -0.972 29.137 14.660 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 12.533 -9.933 0.385 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 1.618 3.364 -0.033 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 -7.224 -4.027 -0.528 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 -15.016 47.955 -15.212 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 0.532 -3.898 -1.636 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 -5.437 -1.007 -0.118 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 2.429 4.593 3.315 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 -3.585 -6.144 20.421 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 3.066 -0.079 0.124 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 2.520 -9.157 4.634 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 -1.157 -2.183 4.896 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 7.695 -2.492 -18.298 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 -3.359 -0.278 1.312 1.00 0.00 SBOX O ATOM 163 P GUA A 13 -1.658 -4.923 -0.905 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 -6.259 1.387 -3.871 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 3.490 4.728 0.923 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 1.357 -3.824 -6.060 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 -2.925 -3.521 -1.131 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 -1.871 -9.645 3.394 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 2.432 5.390 -1.185 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 6.772 9.168 -7.476 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 -0.416 -4.204 -10.477 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 0.907 -0.957 -2.600 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 -2.132 -1.303 4.632 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 -7.587 -3.655 25.294 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 -0.601 -1.175 3.142 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 5.188 4.970 -10.668 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 2.885 -2.405 6.536 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 4.928 -6.600 3.451 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 4.817 -1.491 3.297 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 -3.153 7.545 -5.253 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 0.468 1.846 0.795 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 1.106 -6.144 -1.906 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 -1.976 -23.025 35.338 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 3.837 -2.123 1.472 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 -10.866 5.257 0.796 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 2.562 -7.739 -10.350 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 -8.193 14.371 8.168 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 -4.024 3.884 -7.933 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 -2.795 1.406 -2.837 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 -6.982 -0.119 -0.536 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 -25.517 -15.521 -6.846 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 6.518 0.255 -5.799 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 1.568 -18.948 -11.123 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 -4.489 4.583 0.591 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 5.689 -10.627 5.086 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 -0.905 -2.667 -0.990 1.00 0.00 SBOX O ATOM 197 P ADE A 14 4.160 -3.289 3.041 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 -7.910 1.295 -3.992 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 -0.444 -3.799 2.371 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 2.545 2.313 4.637 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 -0.565 -2.845 -4.939 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 -1.722 -2.933 -9.002 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 14.142 3.165 -14.896 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 -8.210 1.761 3.087 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 -11.011 3.733 -14.839 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 -1.935 -0.183 -3.339 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 -2.912 4.102 2.980 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 -20.423 3.650 -0.616 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 -7.985 3.528 -2.574 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 3.788 4.555 8.906 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 17.445 8.519 -5.232 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 3.065 -5.385 1.967 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 -4.067 -2.545 2.828 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 -3.286 3.867 -3.170 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 7.195 4.903 -6.567 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 -2.951 -34.092 -5.251 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 -14.761 -6.353 -25.772 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 1.464 9.604 5.134 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 0.344 -4.863 -2.997 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 -18.001 5.464 11.112 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 -0.115 -2.361 -3.475 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 -7.706 10.681 -5.752 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 1.746 5.662 -5.994 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 -2.781 -0.219 -12.550 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 4.407 7.147 1.607 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 7.308 16.921 3.866 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 0.374 -6.299 -6.202 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 -4.323 -4.636 3.572 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 3.926 -3.505 -1.875 1.00 0.00 SBOX O ATOM 230 P GUA A 15 -0.697 2.795 -1.252 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 0.545 -4.501 3.806 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 -4.870 4.727 -6.859 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 2.282 5.645 0.450 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 -5.037 3.662 -1.363 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 -9.165 7.916 -3.213 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 -16.168 4.317 9.004 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 -1.474 5.417 -0.916 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 -15.100 -2.859 0.875 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 3.088 4.135 -1.024 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 1.350 4.998 0.870 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 -11.948 -7.066 4.529 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 9.135 4.397 -3.346 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 0.015 -2.797 -4.024 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 -14.309 2.343 9.887 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 1.742 -2.568 -4.355 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 1.345 7.187 -1.891 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 -1.589 0.888 1.082 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 0.516 -3.953 -3.461 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 4.269 -0.840 -1.662 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 0.478 -12.874 1.848 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 -5.230 7.137 -1.019 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 -5.366 5.583 -0.512 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 -16.803 -43.166 -0.500 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 -18.414 -1.236 -5.727 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 -7.960 1.727 0.586 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 -5.873 -1.555 0.400 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 1.070 3.306 -2.698 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 10.945 10.053 -7.634 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 -8.940 0.003 -0.952 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 -10.320 9.109 6.589 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 -0.260 0.938 -2.156 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 -19.659 -5.084 0.876 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 3.623 4.740 -0.066 1.00 0.00 SBOX O ATOM 264 P GUA A 16 -0.305 3.813 -3.323 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 -1.460 1.268 -2.214 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 -1.165 -1.969 3.271 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 -2.108 -2.022 -5.036 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 -4.697 -4.644 -3.543 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 -0.468 -12.599 -7.363 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 3.790 1.159 21.144 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 -2.269 -4.063 2.598 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 -3.493 -5.107 -0.557 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 -5.163 2.417 2.898 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 -0.109 1.100 4.820 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 9.196 20.842 0.593 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 1.772 -4.285 4.233 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 5.103 -5.909 -1.103 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 30.660 2.507 -20.552 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 2.846 -10.118 5.841 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 -0.312 -2.831 6.231 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 -9.696 9.035 -0.063 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 -0.825 0.239 1.771 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 8.093 -4.810 -7.167 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 4.601 9.054 7.520 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 -3.449 1.094 6.512 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 -8.496 -1.454 -5.000 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 -31.794 -8.491 15.592 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 -18.880 -3.340 -6.893 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 0.171 -1.694 -2.612 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 1.205 -1.506 -2.614 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 -0.278 2.140 0.279 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 -6.640 -2.802 11.046 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 0.145 -3.905 -0.911 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 2.463 -5.087 -20.194 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 -2.374 2.422 -5.925 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 13.360 16.905 -0.211 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 2.950 1.749 0.640 1.00 0.00 SBOX O ATOM 298 P URA A 17 1.608 0.864 -1.337 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 1.830 0.092 6.988 1.00 0.00 SBOX ATOM 300 O2P URA A 17 0.576 -0.684 5.210 1.00 0.00 SBOX ATOM 301 O5' URA A 17 -0.485 0.224 7.203 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 3.686 -5.751 -2.266 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 16.853 -7.341 12.933 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 11.636 -10.967 2.870 1.00 0.00 SBOX ATOM 305 C4' URA A 17 -1.308 6.017 -6.975 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 8.488 -8.472 0.772 1.00 0.00 SBOX ATOM 307 O4' URA A 17 -1.306 0.284 -2.063 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 3.194 -0.624 -1.811 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 12.381 31.782 -2.607 1.00 0.00 SBOX ATOM 310 N1 URA A 17 -1.784 5.421 5.836 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 -8.773 0.192 0.147 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 -6.394 -0.030 -0.558 1.00 0.00 SBOX ATOM 313 C5 URA A 17 -1.631 -5.294 4.153 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 3.229 4.105 0.566 1.00 0.00 SBOX ATOM 315 C4 URA A 17 0.216 -6.183 -2.694 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 2.000 -4.802 3.118 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 1.150 -1.148 -0.922 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 11.312 1.874 -3.624 1.00 0.00 SBOX ATOM 319 C2 URA A 17 7.270 11.190 10.469 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 -6.872 -3.501 -10.085 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 2.341 -1.555 3.079 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 0.527 -11.771 11.068 1.00 0.00 SBOX ATOM 323 C2' URA A 17 1.003 3.479 -0.456 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 4.104 10.236 -24.173 1.00 0.00 SBOX ATOM 325 O2' URA A 17 -3.557 0.944 2.411 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 -10.928 -11.839 -13.571 1.00 0.00 SBOX ATOM 327 O3' URA A 17 2.378 -0.782 -8.175 1.00 0.00 SBOX O ATOM 328 P GUA A 18 -6.451 1.338 -2.641 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 3.633 2.074 0.844 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 2.213 5.020 -7.039 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 4.676 -0.507 -5.754 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 -1.941 3.549 2.099 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 8.257 21.129 -8.481 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 -5.331 -9.511 -11.733 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 -3.830 -5.238 3.718 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 0.126 -34.189 -5.036 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 7.626 0.076 5.878 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 9.470 -0.662 -9.487 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 -31.196 11.568 -8.161 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 -0.141 1.822 1.495 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 1.845 2.079 -0.832 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 -1.494 5.594 19.557 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 3.566 3.654 4.673 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 1.650 0.053 -3.288 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 2.572 -11.458 1.670 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 -3.271 -4.678 -1.472 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 0.643 8.366 0.491 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 -7.793 16.385 -4.341 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 -4.088 4.933 6.594 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 1.197 -2.816 1.517 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 -11.315 14.144 4.086 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 -27.920 -32.753 18.640 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 8.935 4.171 -3.461 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 -1.081 -3.028 2.163 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 -3.935 1.827 4.203 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 -14.454 -7.850 5.874 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 -6.193 0.229 0.147 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 -23.418 3.754 2.504 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 -2.702 -1.133 -2.768 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 -5.860 -20.598 -1.484 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 -5.281 0.827 0.928 1.00 0.00 SBOX O ATOM 362 P GUA A 19 2.827 3.732 2.295 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 -0.344 2.343 6.069 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 -0.452 -5.756 5.961 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 3.146 6.247 3.542 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 -0.359 2.267 -1.309 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 0.585 -14.648 10.118 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 -9.201 9.033 7.666 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 5.243 -0.498 -9.197 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 -29.808 -24.664 8.559 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 -3.496 -7.925 -1.773 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 0.724 6.019 -1.198 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 5.963 -19.477 -13.353 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 -3.373 1.579 0.995 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 -4.784 -5.115 0.994 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 -8.603 0.674 0.654 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 3.279 5.247 -2.119 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 -3.512 -3.293 4.318 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 3.786 -1.447 -0.447 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 4.277 -3.389 -1.437 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 12.817 -10.552 -1.577 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 9.625 11.316 -9.738 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 -1.965 -0.801 8.057 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 8.247 1.305 2.468 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 8.821 1.051 -6.065 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 21.088 12.871 8.214 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 7.853 1.198 -1.201 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 6.603 1.043 3.345 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 -1.633 -0.676 -1.056 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 -16.855 11.590 6.860 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 8.479 -2.835 -6.222 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 -17.953 -4.726 9.395 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 3.644 -7.243 -4.321 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 6.273 -22.856 18.809 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 -0.499 4.561 10.089 1.00 0.00 SBOX O ATOM 396 P ADE A 20 -2.701 0.088 -0.742 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 -2.263 -1.579 -4.065 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 -2.147 4.721 3.699 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 -2.394 -2.095 -1.543 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 -0.398 4.304 -1.601 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 2.459 -28.213 18.765 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 -0.645 11.565 -8.827 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 0.548 -0.878 4.628 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 -4.918 13.277 14.808 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 9.869 -0.837 -4.895 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 -2.709 0.460 1.935 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 9.472 -8.098 0.381 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 -1.254 8.241 10.397 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 -0.541 1.200 0.836 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 -1.878 3.304 -0.717 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 4.058 -1.046 4.229 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 -4.061 4.836 -3.251 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 -0.252 -6.225 -2.276 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 -2.256 -1.104 -1.834 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 -7.300 13.661 17.271 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 -7.338 2.039 5.716 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 3.572 -5.363 7.064 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 2.313 -3.327 -7.100 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 13.896 -3.868 7.580 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 -1.837 -5.550 2.958 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 3.400 8.085 -2.581 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 -1.147 -3.560 -0.949 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 -11.500 27.461 12.738 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 -6.143 4.607 8.082 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 10.372 -13.631 -4.123 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 -4.577 -3.394 0.354 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 7.437 -13.982 -9.589 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 1.337 -2.198 -1.754 1.00 0.00 SBOX O ATOM 429 P GUA A 21 0.117 2.950 -5.046 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 -3.247 -3.305 -0.188 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 -6.371 1.190 -1.839 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 3.988 -3.458 -0.301 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 1.900 0.290 3.062 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 -0.471 -14.418 4.246 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 5.335 6.201 -15.732 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 0.099 -0.721 1.423 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 10.993 4.766 -11.342 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 -0.985 2.711 -0.670 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 -0.093 -6.050 8.239 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 9.243 3.702 4.915 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 -3.265 0.025 -4.799 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 -5.423 3.711 -8.735 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 -5.838 7.690 -8.570 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 0.567 -0.671 1.710 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 -0.254 3.754 4.542 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 8.890 -0.543 -1.005 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 -5.658 2.353 5.687 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 0.805 6.168 -4.566 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 -1.253 14.901 -29.529 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 5.180 9.487 4.818 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 5.588 -0.436 -1.957 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 18.057 -16.670 -17.981 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 -10.166 -8.084 10.048 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 5.011 -4.783 2.420 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 -8.199 -1.855 2.872 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 -6.222 -4.927 1.530 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 9.846 -2.485 -2.783 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 0.360 1.628 1.038 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 6.729 -3.958 -3.338 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 1.905 0.524 4.509 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 -6.651 -23.204 -0.085 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 3.355 4.459 -4.360 1.00 0.00 SBOX O ATOM 463 P GUA A 22 -1.975 0.995 -0.115 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 4.819 2.558 -2.936 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 -0.292 6.989 -3.083 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 3.723 -5.206 1.557 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 -10.118 2.232 1.785 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 -4.345 -1.707 -7.100 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 -11.684 -7.949 2.792 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 -1.169 -5.862 5.457 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 -5.750 12.038 -15.807 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 -8.484 3.220 -3.681 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 -3.603 2.977 -0.698 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 -7.464 -10.959 -9.377 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 4.232 -2.091 0.182 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 -2.410 -4.303 -5.188 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 -0.531 -3.252 -9.517 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 -5.267 -6.842 0.534 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 -1.428 4.866 -6.050 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 -0.217 -3.188 -2.688 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 1.565 2.782 10.566 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 1.064 -5.418 -10.407 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 -4.459 -12.328 4.332 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 -6.098 8.003 -7.016 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 0.098 -2.121 0.908 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 2.923 -10.909 11.405 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 -0.120 -6.685 4.111 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 1.792 0.555 1.145 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 -9.231 2.310 3.092 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 -0.875 -0.013 -2.038 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 32.444 2.520 31.137 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 -3.873 2.545 -2.026 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 8.732 -3.681 -8.064 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 -1.654 -2.414 0.268 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 -13.223 13.823 27.830 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 7.183 3.121 4.252 1.00 0.00 SBOX O ATOM 497 P GUA A 23 -4.618 -0.341 -1.261 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 -4.688 1.948 3.704 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 -2.326 3.075 2.604 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 -2.714 -4.785 1.461 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 1.858 -0.956 3.537 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 -26.022 -6.389 -2.111 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 -29.197 -2.681 3.526 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 -1.966 -3.750 -0.013 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 -2.201 -17.261 7.403 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 -1.189 -0.951 0.974 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 -3.060 -1.037 -6.541 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 -0.076 0.210 -12.914 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 -1.871 7.775 -10.189 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 0.838 -2.820 1.432 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 -12.366 7.728 1.812 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 3.406 0.840 5.454 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 -0.609 -0.734 -3.110 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 -5.311 -5.448 4.869 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 4.910 7.519 -0.928 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 1.527 5.410 5.246 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 -4.350 -2.404 20.295 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 2.071 -2.217 -0.344 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 -4.597 2.478 1.529 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 6.465 -4.093 9.556 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 -22.464 -24.998 12.840 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 2.492 4.373 -0.178 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 3.536 -2.825 4.638 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 -4.219 1.730 -4.910 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 -13.301 -9.838 -20.078 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 0.053 5.701 2.382 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 17.237 7.670 6.028 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 -6.857 -2.092 2.267 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 24.048 -14.094 0.710 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 6.577 1.261 -2.596 1.00 0.00 SBOX O ATOM 531 P ADE A 24 2.973 -4.065 -5.775 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 -0.219 -1.797 -1.516 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 4.217 0.320 -0.536 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 -4.898 -0.256 1.949 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 -0.006 -3.768 -5.277 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 17.314 11.231 -2.596 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 10.283 -6.486 -3.823 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 -2.616 1.520 -5.671 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 -4.386 3.416 7.661 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 -3.357 -2.298 3.516 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 4.654 -2.878 -6.080 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 19.413 8.741 -12.846 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 3.348 3.278 2.168 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 -6.112 -3.831 -0.376 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 4.785 -4.067 -9.273 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 -0.940 -4.818 0.479 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 0.677 -1.843 1.833 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 -2.709 -2.708 -2.569 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 2.862 5.146 3.258 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 5.125 8.450 6.411 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 8.874 15.507 0.377 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 -2.548 1.650 -2.412 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 4.449 1.918 2.558 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 2.252 -10.359 -3.686 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 1.388 -2.454 3.530 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 -0.239 -7.653 1.986 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 -3.234 2.459 -5.112 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 -2.516 -11.036 10.614 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 -0.664 -0.106 2.279 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 12.870 2.911 -4.965 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 -2.257 1.762 3.614 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 29.073 1.170 14.808 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 0.307 -1.609 -3.355 1.00 0.00 SBOX O ATOM 564 P CYT A 25 4.670 2.753 8.530 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 0.944 -4.630 -3.450 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 2.600 -0.422 -1.322 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 1.237 -3.011 0.391 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 1.801 6.781 7.073 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 -8.883 9.775 6.196 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 -3.368 -30.045 -4.682 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 0.728 -3.149 6.478 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 7.202 5.014 -4.142 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 -3.110 3.227 2.687 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 0.355 -8.899 11.286 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 21.730 17.263 15.713 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 -4.650 -1.765 -3.297 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 3.768 -11.795 2.253 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 7.381 -20.455 -1.605 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 2.352 1.117 -2.027 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 -16.494 -6.515 0.614 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 2.081 6.943 1.650 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 1.552 -4.493 -5.755 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 -22.366 4.912 -11.084 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 23.581 19.942 9.292 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 1.849 -2.236 -1.027 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 -0.882 4.331 -3.024 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 -4.772 2.989 -0.042 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 -3.400 1.526 -0.259 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 -7.589 -10.992 -0.059 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 -5.977 1.720 4.666 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 -10.617 -10.444 20.954 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 6.434 1.661 -3.170 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 3.490 6.126 2.268 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 -2.869 -3.054 1.149 1.00 0.00 SBOX O ATOM 595 P URA A 26 -2.761 0.496 -5.610 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 -5.040 -0.640 1.467 1.00 0.00 SBOX ATOM 597 O2P URA A 26 4.900 3.110 -3.244 1.00 0.00 SBOX ATOM 598 O5' URA A 26 0.502 -6.862 -3.507 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 5.303 1.081 -1.766 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 -20.826 7.332 -1.185 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 9.205 0.446 9.695 1.00 0.00 SBOX ATOM 602 C4' URA A 26 -0.080 1.044 1.064 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 10.413 13.259 11.701 1.00 0.00 SBOX ATOM 604 O4' URA A 26 -6.130 -2.528 -1.039 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 4.963 -5.651 -0.891 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 -23.271 -9.269 -16.156 1.00 0.00 SBOX ATOM 607 N1 URA A 26 4.159 -2.921 3.250 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 0.237 -3.035 -5.918 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 1.942 -3.518 0.171 1.00 0.00 SBOX ATOM 610 C5 URA A 26 -6.441 5.948 3.625 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 -9.148 3.305 -12.129 1.00 0.00 SBOX ATOM 612 C4 URA A 26 8.380 -2.251 -4.630 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 -1.256 3.932 2.520 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 3.503 6.325 0.483 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 6.607 -13.905 19.463 1.00 0.00 SBOX ATOM 616 C2 URA A 26 2.258 -2.620 2.655 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 3.677 0.997 -0.029 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 -4.421 3.427 -7.898 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 21.248 2.554 -35.967 1.00 0.00 SBOX ATOM 620 C2' URA A 26 -2.000 -7.677 -5.684 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 -13.101 -8.045 2.510 1.00 0.00 SBOX ATOM 622 O2' URA A 26 6.094 1.362 -8.836 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 6.381 -1.673 -4.749 1.00 0.00 SBOX ATOM 624 O3' URA A 26 0.803 4.932 -0.778 1.00 0.00 SBOX O ATOM 625 P GUA A 27 1.079 -2.615 1.619 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 -4.573 -1.249 -3.774 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 -1.364 3.573 -2.088 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 -6.600 -4.414 -5.478 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 1.045 -4.537 4.461 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 -1.616 11.179 24.282 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 -12.681 0.806 -4.577 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 -7.326 0.819 -2.413 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 -17.708 -1.794 5.677 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 0.195 5.845 0.725 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 -7.657 1.138 1.134 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 -1.155 1.072 12.338 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 4.471 -0.353 2.384 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 -3.759 -3.535 2.285 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 -1.077 -2.847 7.877 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 7.998 3.482 -4.409 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 -0.548 -4.379 1.461 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 3.979 1.425 -6.114 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 1.665 -3.481 -5.293 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 -5.436 -1.710 2.887 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 -4.142 6.504 -9.556 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 -1.728 -1.526 2.961 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 -0.502 -1.368 1.524 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 -3.291 -4.105 -2.337 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 -28.729 -0.928 13.321 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 -4.575 2.691 -1.146 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 4.185 -1.174 -7.349 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 -3.403 6.111 -2.308 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 11.948 7.403 -21.929 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 -4.647 -6.826 -2.615 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 1.075 -4.549 -10.068 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 1.119 -1.555 4.952 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 3.960 -18.637 0.579 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 -4.732 2.391 6.619 1.00 0.00 SBOX O ATOM 659 P GUA A 28 -3.715 -5.261 2.469 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 2.857 -5.592 -2.137 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 1.629 1.431 2.140 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 2.251 13.637 -1.563 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 -3.958 3.566 -4.710 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 23.978 -15.275 -4.187 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 15.055 -4.200 -1.632 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 7.627 -3.698 3.007 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 -14.112 6.534 6.729 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 -6.874 -1.736 2.587 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 3.403 1.625 0.520 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 35.111 -6.965 15.803 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 -6.355 0.082 5.344 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 1.602 -4.940 5.280 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 -2.123 16.844 -10.816 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 -0.965 0.018 -6.045 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 6.707 4.787 1.429 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 0.990 1.252 -1.193 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 2.760 -4.662 -4.192 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 -3.618 -2.533 2.238 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 -0.392 -7.598 15.851 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 5.702 -1.238 5.183 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 -3.933 1.526 -2.250 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 34.108 0.506 25.077 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 -7.522 -5.577 15.018 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 -0.587 -4.532 1.290 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 -4.887 -5.327 -3.312 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 -4.990 -0.961 -1.323 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 -22.978 10.814 16.517 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 3.569 2.458 -4.797 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 7.747 5.578 -4.328 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 -5.656 -6.085 -0.754 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 -12.332 6.049 -18.781 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 3.086 -4.690 -4.678 1.00 0.00 SBOX O ATOM 693 P CYT A 29 1.589 -3.468 2.711 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 3.155 -2.543 -1.462 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 3.383 -4.340 -2.684 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 -3.903 -0.267 3.472 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 3.309 0.430 3.903 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 -4.633 7.510 10.100 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 6.052 26.063 -10.344 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 -7.391 -1.421 -4.342 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 -4.558 -10.241 6.546 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 -2.687 -1.905 -3.197 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 1.294 3.728 -9.701 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 2.239 12.949 -9.505 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 0.596 4.650 5.966 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 2.436 -4.982 3.435 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 -10.111 -1.363 0.295 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 -1.592 -1.950 3.979 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 9.142 13.579 7.124 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 0.232 -6.161 4.771 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 -2.798 4.342 -3.775 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 -4.782 -5.669 7.052 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 -9.629 -3.805 0.249 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 2.260 -4.678 5.805 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 -8.324 1.420 -2.208 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 0.498 -9.396 -1.311 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 -7.160 -4.277 -6.517 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 7.994 -11.133 25.003 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 -5.389 -5.351 -7.627 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 -6.018 -2.577 1.078 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 -6.858 2.209 -7.159 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 -10.384 -5.800 -0.845 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 -0.598 -4.193 2.890 1.00 0.00 SBOX O ATOM 724 P CYT A 30 1.876 1.735 -2.137 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 -5.634 -3.699 2.704 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 -0.194 0.545 7.181 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 -0.093 -4.803 2.057 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 0.744 8.339 -6.551 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 -8.331 12.602 -0.368 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 -1.051 -29.723 6.151 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 0.112 12.239 -2.514 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 3.684 -15.142 -16.765 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 -0.460 1.315 1.017 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 -2.383 4.355 4.383 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 29.679 -21.247 8.689 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 -1.452 1.292 -7.409 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 -0.329 1.786 4.058 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 15.757 -7.482 5.952 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 6.685 -4.292 5.348 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 0.385 -15.780 20.177 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 -6.838 4.138 -5.009 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 6.364 -2.500 7.388 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 -12.953 11.254 -9.756 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 0.113 -4.455 -13.188 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 -2.021 -4.933 5.484 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 2.611 -0.943 1.321 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 5.892 -6.933 -7.078 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 -3.322 -0.920 -0.744 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 -6.643 17.449 0.302 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 4.186 4.241 -0.843 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 -18.824 19.640 20.190 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 2.112 -1.153 -8.228 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 -6.992 -8.316 3.932 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 0.957 1.111 -3.751 1.00 0.00 SBOX O ATOM 755 P CYT A 31 0.384 4.758 1.116 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 -5.008 2.073 1.528 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 5.142 -8.412 9.151 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 -1.230 -8.692 5.122 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 3.004 3.787 0.689 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 0.293 7.612 3.014 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 -2.526 -9.379 -4.664 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 -0.913 2.822 2.084 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 -4.275 1.236 -1.070 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 0.140 1.193 -6.764 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 0.410 -0.222 -1.203 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 -35.603 10.168 -0.307 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 4.803 -2.432 -2.558 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 16.843 -1.099 2.039 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 21.797 -21.356 4.521 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 -7.817 0.131 10.433 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 14.959 7.277 0.192 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 -4.712 1.154 -0.641 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 -3.670 4.001 3.337 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 -9.827 4.322 26.228 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 -4.604 6.479 0.434 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 5.481 3.029 -3.563 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 -3.890 -4.203 3.214 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 3.649 -4.870 0.857 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 -2.433 2.546 -3.758 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 -16.445 -20.411 0.021 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 -2.974 3.787 3.896 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 -4.048 5.069 3.766 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 -1.076 1.907 2.659 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 16.348 -10.935 -7.403 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 -4.382 -2.922 -1.134 1.00 0.00 SBOX O ATOM 786 P GUA A 32 1.614 3.511 3.244 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 0.975 -6.696 0.600 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 -2.602 -7.556 2.089 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 0.642 -6.524 0.795 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 4.010 5.396 -1.725 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 1.937 -15.197 -4.268 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 -8.440 9.189 16.200 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 -6.210 8.841 1.708 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 29.498 17.207 1.429 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 2.366 -2.963 -4.256 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 -4.017 2.595 -4.786 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 -0.607 22.229 -10.261 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 -0.342 1.800 2.641 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 -7.288 9.748 1.884 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 -8.646 11.789 -7.040 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 -0.093 -1.271 -2.075 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 -0.814 0.575 1.125 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 -0.161 -7.947 1.441 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 -2.836 -2.738 -0.951 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 10.714 1.865 -1.523 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 4.688 -20.096 2.681 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 2.723 1.388 3.496 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 0.628 1.113 -4.645 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 9.517 -4.955 16.892 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 -15.567 3.622 -15.279 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 -5.594 -3.993 2.684 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 -1.732 -0.215 2.622 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 -6.603 -2.115 -2.347 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 -2.492 7.126 -17.685 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 -1.167 -1.568 -7.842 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 -5.985 -30.572 -5.315 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 -1.796 1.707 -0.606 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 -3.977 38.041 -8.710 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 3.492 1.291 -5.836 1.00 0.00 SBOX O ATOM 820 P ADE A 33 -1.993 3.501 -1.694 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 0.574 -0.554 -6.256 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 -0.725 -6.960 -11.609 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 1.447 7.641 2.074 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 -9.196 -7.523 0.962 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 16.613 18.193 5.383 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 -12.187 -0.902 -1.274 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 -3.783 3.086 5.795 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 -17.286 -12.770 -0.363 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 -0.175 -0.681 1.722 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 3.818 -7.715 0.426 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 -3.895 -8.122 -2.361 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 -2.900 -2.193 -6.034 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 0.551 1.007 0.786 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 4.698 6.493 39.808 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 0.163 4.843 -4.814 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 -3.385 4.459 -4.151 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 -0.027 4.192 1.289 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 -5.927 -1.532 -1.210 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 9.901 7.190 11.978 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 1.816 -6.951 -2.019 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 5.086 5.019 6.605 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 1.027 -3.890 -5.937 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 -1.421 -2.819 -8.174 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 -1.288 -5.300 -2.888 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 -2.558 1.850 1.802 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 1.854 1.937 -2.166 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 -20.360 2.287 -2.102 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 4.770 0.585 -2.977 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 0.783 -1.084 -2.922 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 3.057 -0.233 -4.194 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 -5.059 -7.364 14.368 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 7.457 -5.597 -3.536 1.00 0.00 SBOX O ATOM 853 P URA A 34 0.741 -4.053 -2.642 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 -3.449 -4.934 0.654 1.00 0.00 SBOX ATOM 855 O2P URA A 34 -4.826 -4.765 0.652 1.00 0.00 SBOX ATOM 856 O5' URA A 34 -4.806 2.501 6.072 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 -2.492 -5.099 -6.128 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 -1.128 -8.286 -6.678 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 -5.321 -4.765 -6.305 1.00 0.00 SBOX ATOM 860 C4' URA A 34 -0.459 1.244 -5.268 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 -2.767 -3.731 6.109 1.00 0.00 SBOX ATOM 862 O4' URA A 34 -1.063 9.176 3.707 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 2.494 0.959 6.681 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 13.293 7.075 1.430 1.00 0.00 SBOX ATOM 865 N1 URA A 34 -4.188 0.049 -2.800 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 3.245 -1.330 2.170 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 6.916 -2.531 -7.617 1.00 0.00 SBOX ATOM 868 C5 URA A 34 -2.498 3.140 2.500 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 -21.434 -28.953 -12.027 1.00 0.00 SBOX ATOM 870 C4 URA A 34 3.362 -1.234 -5.640 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 -3.238 -4.725 -8.926 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 6.361 5.172 0.627 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 1.851 17.107 -0.637 1.00 0.00 SBOX ATOM 874 C2 URA A 34 -6.861 12.437 4.257 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 4.620 7.054 2.980 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 4.973 4.999 -1.809 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 -7.503 2.366 12.608 1.00 0.00 SBOX ATOM 878 C2' URA A 34 1.202 9.689 1.870 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 1.676 9.420 4.348 1.00 0.00 SBOX ATOM 880 O2' URA A 34 -1.043 4.588 -0.050 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 0.049 -5.875 1.089 1.00 0.00 SBOX ATOM 882 O3' URA A 34 3.075 -1.566 3.499 1.00 0.00 SBOX O ATOM 883 P GUA A 35 -0.700 -1.647 -1.570 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 2.920 1.066 -2.605 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 4.698 -2.446 -0.526 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 4.743 0.213 -5.137 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 -5.464 -2.449 -3.792 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 -2.232 -0.550 -1.722 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 9.234 -12.785 6.086 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 -4.232 5.173 -3.204 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 7.391 -2.692 -9.390 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 -0.518 3.072 -0.436 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 2.748 1.248 2.546 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 17.110 5.152 22.224 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 -1.786 -4.079 -2.148 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 -7.059 -1.450 6.509 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 -5.568 16.859 -16.659 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 5.314 6.542 -7.252 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 0.879 15.531 1.080 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 -8.289 -6.901 1.482 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 -1.673 1.275 -0.343 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 -3.486 4.434 1.190 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 8.348 -17.123 21.116 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 -4.074 -3.233 -3.718 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 6.018 -3.160 -6.322 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 3.813 -24.652 -17.794 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 -2.970 -5.043 -6.589 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 3.244 2.883 1.085 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 0.499 2.832 5.605 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 -7.607 -8.221 2.898 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 6.009 -6.977 1.935 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 0.617 -1.179 0.434 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 13.985 -13.911 -4.989 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 1.290 -3.332 1.546 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 -14.022 13.832 -2.536 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 1.704 -3.313 -4.180 1.00 0.00 SBOX O ATOM 917 P ADE A 36 3.682 0.339 3.179 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 -5.214 -0.818 4.744 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 -2.340 -7.945 0.010 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 8.018 1.420 -0.272 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 0.043 11.430 -5.347 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 -7.294 -41.468 7.849 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 7.053 14.019 11.599 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 -0.320 2.948 -2.565 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 16.785 -6.690 0.692 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 5.129 8.526 -0.789 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 -3.874 -1.928 -3.450 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 14.671 9.964 11.741 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 3.856 -4.908 0.307 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 5.161 0.861 3.287 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 -0.916 12.548 12.643 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 5.032 -8.207 -5.693 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 1.302 -0.497 6.705 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 -5.197 5.718 -1.431 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 -5.402 -3.080 -2.660 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 -0.195 -17.137 -12.228 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 19.288 7.542 -15.960 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 1.440 -0.515 -3.475 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 0.306 4.849 -2.353 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 -2.472 -26.607 -26.081 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 2.732 8.786 0.338 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 0.431 -7.001 -1.661 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 1.589 4.884 2.635 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 1.282 4.885 8.133 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 4.519 4.983 -7.816 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 -0.758 -8.683 4.928 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 6.727 5.231 2.744 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 -19.935 7.961 -14.814 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 2.988 2.428 -0.081 1.00 0.00 SBOX O ATOM 950 P ADE A 37 -1.647 -4.282 -1.234 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 -3.158 -1.472 1.178 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 -4.972 4.669 -7.371 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 3.166 2.157 -4.018 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 0.651 -4.466 2.260 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 -3.267 -14.491 13.854 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 -12.494 -2.261 -6.934 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 0.065 4.700 0.011 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 -1.034 0.366 -17.050 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 -2.214 5.376 -3.476 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 2.334 -4.986 2.225 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 7.062 6.085 6.708 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 2.951 1.702 -1.766 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 -2.227 7.376 4.269 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 -11.334 25.052 -11.332 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 3.023 -4.433 -5.548 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 1.745 1.387 -1.556 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 1.178 -0.101 3.376 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 -8.086 10.664 -1.957 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 -6.978 8.508 5.770 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 -1.197 8.243 -16.176 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 3.783 -5.839 3.550 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 -0.794 -1.606 7.337 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 -3.639 -19.083 10.672 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 8.077 -1.087 -4.929 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 -3.825 3.669 4.313 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 -5.804 2.600 -2.102 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 -15.221 -2.790 8.976 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 -4.717 -3.439 2.218 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 -4.814 -10.103 20.615 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 -5.097 0.663 1.296 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 2.192 -6.741 -6.010 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 5.475 8.473 4.006 1.00 0.00 SBOX O ATOM 983 P ADE A 38 -2.311 -2.865 5.973 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 3.703 -0.239 -14.021 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 -6.438 2.152 1.982 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 -6.111 6.994 -1.029 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 -0.137 3.628 -9.211 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 -17.727 -29.379 4.833 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -28.997 -9.025 -13.243 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 2.990 6.274 -5.380 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 -3.466 -3.368 3.524 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 3.521 0.277 -1.607 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 -2.482 -4.311 -2.803 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 6.876 4.069 35.740 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 -9.071 1.565 -2.240 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 0.004 -10.094 2.218 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 22.110 -6.003 7.708 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 6.157 -4.533 4.113 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 -0.510 -1.265 -0.504 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 -4.980 4.355 4.111 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 -4.336 1.787 3.292 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 -23.708 15.267 23.269 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 -1.864 0.128 16.117 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 -0.863 0.207 -3.160 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 6.109 0.892 -6.114 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 10.681 -0.548 -7.764 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 -1.405 1.661 7.029 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 -3.452 -2.853 -1.504 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 -5.305 3.624 -7.596 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 -4.622 -11.256 -5.402 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 -2.481 -1.099 0.323 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 10.478 10.210 19.988 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 -3.397 0.795 -1.706 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 -3.496 -46.891 -15.356 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 -0.649 0.889 2.329 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 -3.338 4.328 -1.289 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 1.094 3.257 -1.110 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 1.830 1.315 -1.589 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 8.113 -4.331 -6.436 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 0.361 6.813 6.188 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 -3.888 -9.103 0.696 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 3.268 33.978 4.569 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 2.954 -3.346 -9.114 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 6.511 -16.912 13.411 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 0.482 -6.071 -7.015 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 -0.182 7.570 -2.499 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 -19.040 22.160 -2.817 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 -1.666 1.603 -0.914 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 -2.686 -2.696 0.054 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 -9.152 -14.501 -4.554 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 -3.747 3.144 -0.571 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 11.893 1.233 -23.553 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 -3.101 -0.467 4.145 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 -4.698 2.333 0.096 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 -9.748 2.325 3.696 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 14.979 3.041 -10.169 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 -2.833 -3.687 5.426 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 7.848 -6.494 -0.169 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 4.775 0.293 1.913 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 1.173 2.506 -3.239 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 -19.171 22.541 15.862 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 0.333 -3.460 0.001 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 4.388 -12.797 -29.211 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 -3.292 4.943 -7.211 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 24.546 0.138 -5.181 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 -0.003 5.727 2.788 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 1.681 1.303 0.802 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 2.177 3.595 4.344 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 8.109 2.617 0.092 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 -4.398 1.140 0.160 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 -1.787 -3.799 -8.635 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 -1.370 9.006 -1.747 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 8.612 -25.675 1.488 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 0.528 6.730 4.358 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 2.132 7.349 21.524 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 4.556 -0.017 -3.377 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 2.418 3.670 -12.132 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 -15.944 9.279 -8.734 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 2.535 -4.942 7.310 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 1.271 -3.206 4.426 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 -19.979 -7.244 21.349 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 -1.684 1.317 -0.171 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 18.477 3.996 -7.616 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 10.395 -3.300 0.966 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 -1.702 -1.467 -0.642 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 -9.410 0.204 7.653 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 3.505 -2.528 -26.743 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 -0.963 -6.051 -4.899 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 -0.586 -3.678 -4.816 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 1.550 -5.653 3.525 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 2.756 -4.356 -1.262 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 -11.527 7.600 15.945 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 -0.913 3.774 7.032 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 -1.074 3.584 39.566 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 -8.430 0.292 2.982 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 -10.613 -0.550 -19.069 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 0.418 -3.841 2.463 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 0.348 -0.512 1.396 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 2.849 6.489 7.122 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 -5.178 -3.093 -2.754 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 -3.759 3.861 4.725 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 -2.177 4.671 1.969 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 2.038 10.544 21.777 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 -4.570 -10.779 8.752 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 -4.902 2.512 -0.326 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 -15.537 1.636 4.762 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 -13.870 5.078 2.417 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 -4.142 -0.415 6.195 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 8.585 4.007 7.824 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 8.931 9.486 -5.815 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 -1.214 -3.065 -3.152 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 48.772 -11.890 -14.109 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 -4.365 3.332 0.005 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 -4.720 -12.240 -7.009 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 4.246 -5.086 -1.038 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 -3.300 2.288 -1.778 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 4.874 15.800 -14.282 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 8.140 17.353 -3.007 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 3.212 12.351 -2.449 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 -0.585 -7.639 7.450 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 -1.464 4.894 5.601 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 -0.218 5.294 1.119 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 -34.893 -5.753 6.517 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 -6.396 -3.646 0.944 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 -27.105 7.358 27.106 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 6.426 4.093 5.970 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 1.010 8.233 3.216 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 2.332 -1.847 -1.457 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 -5.262 -1.090 -2.619 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 3.216 -0.233 5.229 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 6.824 0.660 3.836 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 1.531 9.968 3.881 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 -0.463 1.305 -0.982 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 4.188 -11.416 -10.116 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 16.830 18.146 24.982 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 3.870 6.584 -2.644 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 -17.232 -6.953 12.283 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 -1.970 -0.760 -0.119 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 5.040 3.701 -2.402 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 -7.198 -7.168 1.634 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 -4.317 -4.463 -0.462 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 -10.225 -3.366 -2.305 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 12.258 6.201 -16.708 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 4.571 4.988 -3.909 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 -0.125 2.444 -7.829 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 -7.321 -1.378 4.538 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 0.783 -10.774 -0.411 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 -1.664 -7.918 -0.809 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 -29.411 -15.908 0.548 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 -8.446 -2.470 5.745 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 1.360 8.227 6.333 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 4.867 11.617 10.415 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 25.496 -16.653 -34.985 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 -3.774 -6.934 2.771 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 -6.680 2.541 6.153 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 -7.317 -1.419 -0.207 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 12.157 0.351 -6.563 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 -1.839 2.673 -2.223 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 -16.859 1.400 -6.460 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 -0.518 -0.272 -6.877 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 -2.289 2.963 -16.859 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 -2.830 -5.266 -4.800 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 -0.776 -2.958 -5.111 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 -4.640 -1.732 -3.014 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 -4.637 2.295 -4.662 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 -4.014 -6.002 5.294 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 -4.844 0.701 3.369 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 -10.674 -15.337 -4.351 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 -11.772 4.086 -15.999 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 -2.159 5.025 9.131 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 7.761 3.868 3.468 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 0.254 1.215 -7.758 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 -2.487 -0.455 -0.225 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 8.017 -2.869 4.853 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 0.410 -6.939 8.675 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 -6.267 -4.480 -9.322 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 -9.395 -5.328 -6.836 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 -2.487 0.554 4.398 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 -1.104 2.001 -6.952 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 7.178 4.533 4.772 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 13.622 -5.315 1.632 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 4.465 -1.625 -3.170 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 1.946 2.119 5.084 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 -7.692 0.056 -0.130 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 2.012 4.681 1.495 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 -3.906 0.973 3.568 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 -7.134 19.729 6.338 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 4.282 1.356 -7.916 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 3.518 2.429 -3.319 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 1.517 -6.658 1.655 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 -19.308 8.020 5.568 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 2.784 -1.035 -1.902 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 -25.608 25.748 20.212 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 -4.631 -3.358 -1.701 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 7.233 7.137 -19.865 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 2.311 2.724 -5.508 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 2.763 -2.383 -0.551 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 -1.372 -0.425 0.337 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 2.650 -2.001 -0.230 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 -6.066 0.925 12.840 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 8.656 2.683 3.981 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 -0.674 0.162 2.229 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 5.847 10.374 3.191 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 -4.711 -1.067 -4.540 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 -0.939 8.845 -15.445 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 0.102 1.975 2.945 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 -11.300 -7.726 0.121 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 -2.975 21.367 -23.883 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 -2.488 -3.777 1.712 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 -2.868 0.988 5.206 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 -5.614 -6.084 3.657 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 -1.306 7.283 3.133 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 7.619 8.557 7.222 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 -1.378 -3.022 4.192 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 -2.606 0.287 2.550 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 -2.579 5.754 9.949 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 -7.326 3.391 -15.221 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 6.315 -6.525 -5.576 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 -4.825 0.717 -9.446 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 -0.582 3.545 -2.808 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 8.286 7.698 2.691 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 -2.757 7.449 3.393 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 -5.350 -4.058 7.250 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 15.008 17.033 11.362 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 5.504 0.667 -2.132 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 7.305 0.053 -6.601 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 7.991 3.045 6.650 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 3.332 -4.961 2.070 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 -3.287 -2.124 2.374 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 -5.568 -2.045 -0.520 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 3.843 -0.476 -0.394 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 0.637 0.390 -3.900 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 -14.845 -6.678 -10.193 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 3.018 -3.600 -7.758 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 1.732 1.070 0.476 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 0.748 3.324 -12.681 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 1.282 -6.934 -4.377 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 0.592 9.230 2.625 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 -4.208 -1.132 30.963 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 4.130 9.948 2.973 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 0.826 2.832 -2.256 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 -11.712 0.067 23.634 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 -0.156 -4.221 -1.112 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 -1.017 13.821 0.833 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 7.136 -4.482 -3.255 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 -3.716 2.189 5.340 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 -7.788 8.656 5.554 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 -11.340 -24.244 -6.156 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 -0.738 1.996 -3.492 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 3.107 -1.759 -4.157 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 -0.570 -18.440 0.274 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 -1.856 -5.470 -3.021 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 -1.097 3.679 3.830 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 2.237 -0.238 5.819 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 0.651 -0.748 0.482 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 3.598 -0.035 6.074 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 -30.100 -8.287 4.534 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 -6.027 6.226 0.981 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 -6.738 19.926 -1.109 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 -0.780 2.509 -4.759 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 -1.272 3.721 -2.834 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 -4.175 -1.316 5.998 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 5.538 -6.181 9.214 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 -3.362 10.456 -3.301 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 3.264 -5.597 -7.153 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 5.487 -39.009 14.604 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 -3.937 23.924 38.335 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 -1.611 -2.186 1.084 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 24.710 20.700 -14.304 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 -1.866 -4.569 12.795 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 -2.331 5.823 5.664 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 6.436 -10.020 -2.999 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 -0.416 -5.400 -1.316 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 -9.861 8.380 -5.372 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 1.087 2.588 6.992 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 10.213 -5.696 6.055 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 -5.114 -0.104 -0.106 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 0.240 -1.213 0.513 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 8.863 -7.876 0.388 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 -9.578 2.397 25.726 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 3.948 25.534 -5.519 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 1.195 3.414 1.918 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 -4.077 3.614 5.873 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 1.045 -12.464 -9.576 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 7.903 -4.246 -3.484 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 3.086 6.270 1.318 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 -5.326 -10.659 2.151 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 -4.545 17.043 15.514 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 -1.754 2.594 -6.899 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 -9.082 15.784 -34.258 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 2.495 2.043 2.768 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 -2.673 23.776 8.267 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 -6.948 -2.537 -1.160 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 -0.532 -1.910 3.671 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 1.791 -4.118 4.023 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 4.438 1.295 2.567 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 -2.917 -4.331 -2.272 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 -3.346 0.557 -2.183 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 -3.535 4.223 -5.007 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 7.694 -17.384 -10.737 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 7.282 -1.574 0.159 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 -1.604 2.588 30.093 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 -1.649 -2.335 5.681 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 -1.049 -5.902 2.251 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 3.620 -3.361 15.032 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 3.028 -2.534 -4.757 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 -3.329 3.861 -1.852 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 1.412 -0.678 4.706 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 13.635 -5.441 1.905 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 -2.086 5.818 12.539 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 -2.936 4.126 -1.264 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 -2.553 -1.331 4.500 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 -4.719 -1.681 7.561 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 -34.123 -20.119 25.545 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 -1.603 2.164 3.493 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 2.932 -1.117 -6.262 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 7.049 -1.604 -0.699 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 -8.701 -3.480 3.399 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 12.748 18.733 -8.035 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 -3.140 3.682 -4.354 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 -25.585 -8.623 31.391 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 -1.063 4.710 0.345 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 0.114 6.093 24.608 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 -4.208 -5.017 7.480 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 -0.224 2.855 1.118 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 5.347 -3.942 -6.342 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 -0.482 -0.306 4.294 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 -2.906 1.368 3.093 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 -7.307 6.818 7.966 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 -18.684 12.279 -8.031 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 9.619 2.637 9.661 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 -0.124 -4.652 4.633 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 -1.798 -3.415 9.442 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 -3.348 -0.763 -0.629 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 2.710 -2.156 -2.442 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 3.464 4.813 3.722 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 1.795 -7.914 -5.219 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 -7.742 -3.557 -3.938 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 -18.748 -0.445 -10.360 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 8.888 -4.129 -3.833 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 10.281 -11.228 -3.588 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 -3.153 3.561 0.530 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 -1.912 -1.724 0.719 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 -7.452 -2.405 -11.401 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 9.017 -27.542 -8.511 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 0.748 -5.559 0.182 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 6.785 2.686 1.017 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 -0.715 4.940 2.534 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 0.011 -1.555 -0.958 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 1.710 -3.818 -6.583 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 -3.185 -0.300 0.408 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 11.484 3.428 -1.434 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 -3.601 -1.376 -1.103 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 -4.079 -5.301 -7.460 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 -2.880 -4.837 -2.891 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 -2.409 0.859 0.654 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 0.747 4.680 -7.732 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 4.216 1.249 -7.544 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 3.379 -0.280 -2.536 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 1.300 -3.623 -1.462 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 14.535 3.208 12.604 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 12.523 -32.978 -2.399 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 2.092 -1.943 -4.663 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 1.596 -0.205 -3.363 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 3.332 -4.815 -4.084 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 -10.867 1.584 -2.652 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 -6.741 -5.560 -2.632 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 0.636 1.227 3.020 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 8.427 5.669 1.006 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 -11.578 8.698 18.668 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 -2.797 6.217 -7.325 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 2.977 -5.265 -1.987 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 -8.259 0.001 -2.043 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 1.026 8.475 1.509 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 -6.681 0.819 -1.743 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 15.028 1.751 -18.704 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 0.171 -0.495 -5.419 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 1.133 -0.624 0.955 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 -19.567 2.073 7.260 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 1.055 -1.602 8.668 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 0.475 0.561 -10.230 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 -6.996 3.100 -7.772 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 -7.771 -16.436 3.826 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 -1.581 1.228 1.085 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 4.428 6.483 -3.954 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 -3.316 -6.607 0.696 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 10.140 -0.831 -0.027 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 2.595 -3.136 -1.856 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 0.318 -0.317 3.492 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 0.244 3.988 5.443 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 3.990 1.607 -1.402 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 3.633 2.607 -0.050 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 7.698 -1.692 -0.432 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 13.287 -13.858 11.664 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 3.108 10.279 -0.621 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 -8.866 -3.237 -9.812 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 -5.795 2.225 -18.637 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 -2.675 -1.739 -10.926 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 -2.793 6.551 -9.373 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 -27.390 3.644 -8.133 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 8.198 0.104 -1.080 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 -5.539 3.524 7.171 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 9.715 -0.976 -4.217 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 3.793 10.414 -4.173 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 0.888 -6.289 -8.856 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 5.921 2.608 3.271 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 -0.022 -3.999 -1.598 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 -0.545 1.000 2.344 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 3.633 7.243 -2.630 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 -7.399 -0.625 0.386 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 -6.350 1.170 2.702 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 1.504 -23.312 -3.546 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 -13.704 14.728 -16.968 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 7.138 -0.668 -1.407 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 -1.497 -9.809 -1.402 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 -0.661 4.897 -0.995 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 -3.174 7.152 -17.235 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 -0.796 -0.713 -4.115 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 9.245 -15.623 1.046 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 -2.734 -0.782 7.061 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 -17.342 -29.909 -1.589 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 -0.662 -2.167 5.104 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 1.309 -1.722 1.971 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 -6.854 -3.761 -7.307 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 -0.931 1.917 0.552 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 1.404 -1.670 3.058 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 -6.473 6.668 12.571 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 -2.829 -8.609 10.886 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 3.580 16.748 -2.088 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 3.476 -2.495 -1.843 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 1.785 -1.094 -15.896 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 -2.119 3.839 0.886 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 4.681 5.942 -3.678 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 3.469 4.316 -5.763 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 -2.236 -3.906 5.402 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 -1.101 4.125 -8.785 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 3.930 9.235 -3.243 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 5.109 1.475 -1.299 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 2.910 8.698 -7.770 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 5.905 7.939 6.784 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 -2.247 7.993 2.358 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 12.947 5.282 -9.510 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 -3.859 2.161 3.571 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 9.654 2.954 -2.155 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 4.961 2.758 -0.540 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 5.388 5.123 0.171 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 -2.467 -0.717 2.630 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 -1.766 -12.809 -0.136 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 4.178 3.949 -3.649 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 7.860 -1.025 14.935 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 4.050 -4.884 0.381 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 19.978 -13.146 3.145 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 -0.641 2.398 -2.687 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 16.533 -9.250 10.044 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 -0.376 -3.735 0.921 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 -3.416 -3.542 -2.646 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 -5.782 0.216 -1.145 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 -2.676 3.485 -4.056 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 1.782 -1.239 2.278 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 3.430 0.787 6.904 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 18.530 -7.098 12.526 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 3.199 -4.797 10.607 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 -7.510 13.416 -5.360 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 3.996 -3.301 -29.547 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 -11.224 -1.865 4.644 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 -2.505 3.472 -4.187 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 13.470 5.876 15.932 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 0.742 2.213 -1.801 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 0.299 -0.707 0.005 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 -7.933 1.085 -0.473 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 -0.248 4.091 0.456 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 1.306 7.264 -0.521 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 -3.342 -1.042 1.678 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 -1.033 -2.004 2.518 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 -23.187 2.086 5.540 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 4.414 -1.694 -2.669 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 -1.134 -0.335 2.440 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 -5.098 -5.084 1.553 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 0.910 -1.823 3.592 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 1.891 -0.982 4.823 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 -7.223 -0.047 -1.030 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 -8.832 -3.400 -9.028 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 -6.452 10.197 -1.471 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 -4.055 2.006 -12.568 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 21.968 -10.470 1.013 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 -1.834 -0.016 0.328 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 8.897 -8.030 -0.763 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 -0.699 -5.609 -1.923 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 0.644 0.568 -1.424 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 1.075 -4.616 5.810 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 0.040 6.329 -3.391 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 6.163 -5.505 -6.016 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 -4.403 0.891 -6.151 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 -7.169 28.734 -2.845 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 -3.109 2.911 -7.236 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 2.416 9.355 5.145 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 4.424 8.372 1.167 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 -2.941 -0.587 -1.028 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 -1.056 2.819 7.057 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 -11.495 8.679 -4.841 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 2.755 10.965 -1.021 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 4.082 8.007 -3.333 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 5.604 3.103 0.506 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 3.246 -3.620 -0.591 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 -5.449 -1.803 7.590 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 4.636 5.988 2.176 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 -2.851 -1.680 4.943 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 -0.657 -7.397 -7.535 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 8.860 -3.582 12.593 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 -3.577 -1.289 -8.890 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 -1.972 -1.164 -4.373 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 5.587 -5.545 -13.259 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 4.643 -3.316 -10.607 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 8.320 2.767 8.145 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 1.241 -8.065 -4.663 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 15.486 -0.292 -15.760 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 4.471 -1.029 -2.311 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 0.388 25.122 -30.183 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 1.093 4.985 2.469 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 2.703 16.780 1.278 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 5.257 -2.557 -0.777 1.00 0.00 SBOX O ATOM 1502 P URA A 54 0.634 1.285 -2.139 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 -0.952 7.954 2.795 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 1.419 -1.827 -0.386 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 0.162 -0.730 -2.427 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 3.062 2.995 8.316 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 -10.941 2.401 -6.619 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 17.280 26.048 18.547 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 -7.248 0.089 -0.458 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 13.381 -7.244 -7.550 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 4.731 0.409 1.071 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 0.363 3.570 -11.783 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 -14.023 -8.018 -6.754 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 -1.624 2.222 -0.850 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 4.671 0.449 -0.647 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 23.399 6.905 -4.351 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 -0.162 -1.204 7.532 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 3.839 -27.299 11.893 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 3.592 1.054 -2.743 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 8.436 -0.086 -2.066 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 1.733 -0.406 3.857 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 20.939 8.466 1.329 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 -3.668 -2.591 -1.010 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 6.733 2.154 -1.176 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 3.025 -3.867 3.776 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 -14.182 2.323 10.045 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 1.400 6.777 -2.375 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 -5.877 4.273 -13.651 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 -3.645 -2.172 -0.997 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -3.564 -0.444 -3.994 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 -4.737 -6.497 3.654 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 -2.439 -6.013 2.789 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 -1.514 2.598 2.806 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 2.594 0.731 -2.463 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 4.426 0.753 -5.927 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 -3.169 -3.921 1.008 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 -5.373 -1.394 -5.019 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 9.722 -17.225 9.621 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 0.776 7.868 -0.045 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 12.597 -31.728 20.006 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 -4.627 -3.196 1.248 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 -6.457 -6.603 4.381 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 1.953 17.518 6.980 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 4.198 -3.847 2.326 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 4.598 -0.882 6.162 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 21.223 3.423 9.041 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 3.334 0.096 -2.084 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 -4.397 1.349 1.836 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 2.938 -8.856 -3.010 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 -1.627 0.819 -1.520 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 -4.714 2.595 0.272 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 -2.261 4.324 14.350 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 0.617 -9.386 -0.881 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 3.023 -5.461 -4.569 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 15.363 -13.364 -36.855 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 -9.157 7.220 3.615 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 -11.549 -7.014 5.507 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 9.788 -2.862 -1.794 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 0.556 -2.293 -3.557 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 -1.139 21.766 -15.574 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 0.699 3.590 5.395 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 14.277 4.384 8.785 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 -0.802 -4.989 2.757 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 20.289 -9.465 -1.319 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 2.405 -1.495 0.201 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 -4.275 3.348 1.447 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 -2.411 -1.012 6.487 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 -7.129 1.401 -2.037 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 -0.477 1.280 -1.237 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 -2.176 0.352 -3.495 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 2.777 9.994 -8.616 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 10.834 -11.564 16.168 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 11.167 -0.550 -8.371 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 -5.518 -13.455 10.091 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 1.811 4.244 1.644 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 3.348 -0.544 -3.375 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 -3.222 18.795 12.598 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 8.035 0.455 7.075 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 1.426 -1.955 2.477 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 -20.547 2.204 -3.509 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 -2.314 1.590 -1.114 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 5.519 -3.231 -1.290 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 1.459 5.587 -1.074 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 4.092 3.155 -7.574 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 3.611 0.350 3.954 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 -16.968 14.431 3.508 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 0.991 5.121 1.614 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 -5.104 11.815 -6.082 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 10.920 1.411 -18.240 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 6.692 -6.497 -24.158 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 0.343 8.927 6.385 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 2.791 -5.031 -8.395 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 -0.027 4.191 5.773 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 3.604 9.494 2.840 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 5.864 -1.205 -5.640 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 13.567 -12.945 6.786 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 0.628 -1.860 -1.771 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 8.741 4.169 -0.120 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 -1.025 1.975 4.883 1.00 0.00 SBOX O ATOM 1600 P URA A 57 4.725 -2.127 1.171 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 -1.149 -4.198 0.368 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 3.349 -4.094 1.233 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 2.313 5.504 -0.172 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 -4.242 -6.021 1.490 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 -2.005 -12.974 3.123 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 10.873 -0.769 -37.052 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 -1.569 8.644 3.005 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 21.979 18.650 -16.064 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 -0.885 3.743 -6.102 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 -0.070 0.687 0.068 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 29.239 14.482 10.507 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 -1.121 -1.170 1.253 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 -1.248 -1.120 0.451 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 3.776 -3.701 -29.767 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 -0.077 1.276 3.695 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 7.711 11.340 14.786 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 -0.025 2.819 3.058 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 -2.372 3.311 3.019 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 -2.844 0.329 1.330 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 -27.294 8.719 -30.403 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 -10.849 3.655 8.011 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 -3.244 0.188 -4.187 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 -2.590 1.936 1.678 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 -13.271 -29.116 -3.078 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 7.063 0.402 -0.054 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 12.288 -12.926 6.592 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 -1.538 0.846 3.366 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 1.618 13.253 -8.403 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 -3.750 -1.234 -0.690 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 2.526 -3.392 6.656 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 0.143 -3.436 5.554 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 1.715 3.804 -1.971 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 4.461 6.718 -2.455 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 -4.472 -0.894 -0.779 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 6.217 15.127 -3.260 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 -10.428 -9.483 4.320 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 2.750 -1.698 -1.808 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 19.759 -5.972 -13.384 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 -5.713 2.459 0.101 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 -3.805 1.930 -1.763 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 3.203 -13.527 -1.866 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 1.144 -0.842 -4.299 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 -1.231 -1.418 -5.008 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 -9.525 -2.941 21.195 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 8.915 2.881 -0.083 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 0.498 -2.799 -0.431 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 -6.075 5.065 4.833 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 6.381 0.742 1.172 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 -5.697 7.845 1.342 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 11.303 14.943 -35.226 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 -1.472 5.741 4.738 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 2.308 3.047 -1.927 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 11.716 30.014 6.533 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 -1.011 6.684 6.894 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 1.179 -4.172 0.701 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 1.980 3.119 5.736 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 6.706 -4.522 0.817 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 3.916 3.496 13.829 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 3.137 -3.219 0.329 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 -22.361 14.260 22.683 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 -6.780 0.276 0.386 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 -6.153 0.820 1.520 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 1.418 3.034 4.209 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 -2.304 -6.668 -0.022 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 -0.741 -2.238 1.174 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 1.291 0.943 8.891 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 -1.698 1.945 -1.555 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 -1.834 6.695 -4.608 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 5.270 3.070 -5.561 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 -0.571 5.803 -2.928 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 -9.211 -3.940 3.048 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 -5.287 -6.540 -18.293 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 -5.850 2.236 -2.882 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 9.312 3.967 0.962 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 4.646 15.195 -15.309 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 -1.897 0.921 2.185 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 4.461 3.883 1.093 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 -11.501 -24.155 -16.024 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 -0.324 -2.883 -3.465 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 7.869 -22.363 -1.218 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 -3.040 -3.888 1.272 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 -0.577 4.615 -0.254 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 -6.224 -6.110 -15.551 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 0.544 2.563 -0.512 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 1.840 -5.107 2.606 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 3.211 8.471 -1.530 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 1.304 1.230 3.432 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 0.685 1.406 5.239 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 -7.599 11.579 -22.405 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 -3.931 3.264 1.466 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 -2.841 -4.603 -7.435 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 -4.905 -1.989 -4.438 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 -10.731 -12.095 -2.129 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 4.094 -2.209 -1.249 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 -0.967 2.616 0.942 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 6.303 3.818 0.390 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 1.550 0.194 3.497 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 -4.988 -2.372 2.040 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 -3.101 2.517 0.345 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 -9.959 8.914 4.398 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 14.109 21.682 -5.580 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 0.564 2.504 -2.334 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 8.787 -7.472 -14.491 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 -0.560 -7.070 0.941 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 3.565 -8.870 -2.737 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 0.417 -31.747 11.161 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 -1.783 -4.236 -1.753 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 -4.671 -1.336 1.095 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 5.262 3.854 6.236 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 -0.004 4.777 -5.067 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 3.370 22.256 -2.115 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 -2.899 -4.141 7.957 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 3.497 -4.363 6.465 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 8.517 -2.962 -5.238 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 5.176 7.437 3.990 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 6.195 -0.852 -8.066 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 -9.529 -1.795 -8.687 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 6.939 2.425 0.158 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 3.040 -4.095 2.241 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 -0.732 5.998 -4.574 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 0.379 -3.951 -2.508 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 16.398 -8.646 5.968 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 1.776 4.517 2.942 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 -3.156 14.953 -0.739 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 -4.732 7.597 6.516 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 2.074 -0.735 1.909 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 1.270 -2.588 -3.083 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 -2.239 1.091 3.032 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 -3.291 -3.607 -3.074 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 -4.803 -7.497 -1.403 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 0.847 0.635 5.903 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 -4.341 -3.737 0.830 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 -3.306 0.875 -4.768 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 -5.163 8.052 9.263 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 -0.086 -0.327 0.791 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 4.521 -4.018 3.195 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 -0.192 8.774 5.350 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 -2.247 5.154 1.140 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 -5.112 -2.151 -1.126 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 22.015 -6.329 3.438 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 3.279 -5.772 -5.976 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 1.123 -6.818 3.135 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 7.704 1.326 7.049 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 -2.782 3.645 -0.472 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 26.503 26.847 -10.837 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 0.878 -12.637 7.599 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 -1.167 -0.410 8.665 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 10.580 -2.246 -4.870 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 -1.834 11.464 -2.578 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 -7.105 -0.388 3.184 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 -9.411 2.520 -6.750 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 1.109 2.178 8.882 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 -3.288 1.795 14.424 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 -4.848 -3.073 0.834 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 -1.261 -1.501 -7.015 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 -6.551 -2.054 1.403 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 4.173 3.658 7.519 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 -3.235 2.636 2.330 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 -1.762 -1.527 4.320 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 -11.674 -4.276 1.771 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 -3.819 4.940 6.739 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 3.732 -0.793 5.778 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 3.474 8.985 -0.308 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 -2.466 4.282 -2.780 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 8.088 2.039 2.849 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 2.251 1.469 0.687 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 12.694 -10.939 -6.057 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 -0.049 2.122 -0.311 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 3.149 0.377 -2.467 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 -24.752 14.317 -13.530 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 1.357 1.893 1.286 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 -2.771 -3.728 0.241 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 -4.733 15.977 -17.180 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 3.052 -1.229 1.021 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 2.926 5.658 5.873 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 -2.080 -2.197 0.495 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 -2.267 0.378 -4.217 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 -6.786 2.229 -16.971 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 3.410 -4.297 -1.049 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 -1.322 7.418 3.227 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 5.858 -6.220 -1.668 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 15.582 -4.291 -3.037 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 3.428 -1.039 -2.828 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 1.072 -3.058 2.659 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 2.430 3.489 -1.549 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 15.542 -5.384 -6.474 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 -1.963 -3.989 -1.279 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 0.923 -4.530 -6.736 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 -5.591 0.458 -2.037 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 -0.800 -5.636 -5.711 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 -2.647 1.237 -0.328 1.00 0.00 SBOX O ATOM 1792 P URA A 63 3.755 2.169 0.008 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 0.055 -5.065 5.630 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 -6.734 -5.547 -0.262 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 -1.505 -3.810 1.663 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 -0.062 -6.258 9.540 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 -12.006 3.571 32.409 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 -3.426 -7.301 -4.553 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 -0.650 -6.851 -2.752 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 -7.179 -7.034 -16.694 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 -4.771 -2.312 3.133 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 -1.543 -3.133 3.036 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 -2.147 1.356 3.715 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 -0.659 -1.120 -4.310 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 5.713 4.422 2.124 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 -1.275 10.482 0.818 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 0.080 -4.189 0.157 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 23.157 31.494 11.414 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 -7.198 -4.332 8.828 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 5.907 -5.038 -1.831 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 2.761 1.885 -4.524 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 -17.499 14.892 11.615 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 -1.550 -7.918 -2.597 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 -0.808 4.776 -4.342 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 -7.830 -1.270 -0.853 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 -14.999 4.619 4.737 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 -2.909 8.408 5.167 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 7.388 -14.881 6.696 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 -0.045 -7.347 -0.300 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 0.652 -13.197 15.426 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 1.736 -0.456 -4.689 1.00 0.00 SBOX O ATOM 1822 P URA A 64 1.541 3.198 0.785 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 -5.304 4.880 4.124 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 5.820 -8.836 2.024 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 -7.278 1.948 -3.648 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 -1.040 -0.249 3.545 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 2.392 10.595 -12.400 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 -4.559 12.249 6.309 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 4.921 0.661 4.009 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 6.813 0.761 7.846 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 -4.875 -1.026 -5.404 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 0.891 -1.863 -1.073 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 -18.918 25.116 9.354 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 0.362 3.604 -0.727 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 2.550 -1.700 -1.746 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 8.434 5.790 -11.812 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 0.415 -0.637 -1.817 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 -13.934 23.096 -12.508 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 6.656 -3.504 -2.547 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 -4.736 -3.790 -4.643 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 -0.835 2.172 -1.990 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 -7.265 -3.237 8.978 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 1.095 -2.713 6.557 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 -1.662 4.720 6.064 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 -4.619 1.034 -9.284 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 -8.602 7.790 -10.906 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 12.183 14.781 5.277 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 10.402 17.331 15.691 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 8.767 3.072 -3.690 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 19.531 -5.798 -9.241 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 -0.475 1.555 -2.829 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 1.949 0.740 -1.869 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 -0.016 -3.752 -9.176 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 -8.317 -2.731 4.125 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 -7.901 0.996 0.932 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 5.079 -8.568 4.490 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 -14.145 -14.852 4.531 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 -3.619 31.023 12.553 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 1.442 -3.883 2.185 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 9.934 7.982 -26.447 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 -6.664 -2.712 -1.611 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 2.904 -5.740 -0.502 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 -11.825 3.898 1.316 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 -6.377 1.686 -11.607 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 -8.851 -3.853 -5.888 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 7.961 22.453 -5.972 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 10.374 -0.372 5.151 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 9.452 -23.213 17.161 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 1.738 8.245 -2.657 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 2.776 -5.451 -5.217 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 -7.296 7.140 -20.192 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 -10.752 -6.555 5.221 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 1.911 1.432 1.071 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 5.916 -1.340 -0.076 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 9.283 3.396 -0.308 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 -1.914 -4.825 7.164 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 6.366 16.628 -19.408 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 -0.843 -5.356 -9.342 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 -32.109 -32.646 7.887 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 -0.410 -3.073 -0.579 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 13.287 8.965 18.347 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 -8.935 -3.124 -4.949 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 0.119 2.182 -1.816 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 -2.574 -6.063 -7.150 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 -4.333 -0.219 1.927 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 2.651 7.196 -5.764 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 4.354 1.365 3.221 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 -11.394 -10.603 6.813 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 -8.797 24.196 6.627 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 0.835 -3.054 -4.740 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 -3.680 -38.438 22.719 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 -1.423 3.064 3.191 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 1.255 2.083 -5.566 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 14.868 7.449 -6.517 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 -7.284 0.418 4.996 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 10.161 2.435 10.935 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 -2.022 -13.601 -0.744 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 -1.683 2.992 1.634 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 1.200 3.013 1.380 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 -1.457 -3.052 -5.032 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 5.026 -1.824 -3.205 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 -0.525 10.072 -27.321 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 -25.928 -8.233 8.945 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 1.004 2.053 2.774 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 -10.560 2.010 6.699 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 2.313 -1.800 5.368 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 3.427 -0.361 -0.851 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 -17.015 29.374 0.129 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 2.553 -3.970 8.471 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 7.967 7.374 9.116 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 -2.240 -0.992 0.594 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 26.251 -4.948 23.882 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 -0.021 -7.550 0.443 1.00 0.00 SBOX O ATOM 1914 P URA A 67 -1.004 4.027 -0.928 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 -4.712 -3.389 -3.566 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 -5.981 5.659 0.191 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 3.941 -3.065 -5.006 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 2.165 2.433 0.411 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 -5.275 8.477 6.051 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 18.409 -5.584 8.215 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 -4.369 0.136 -2.377 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 -11.433 -6.353 6.205 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 7.185 7.726 -2.208 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 2.920 -2.052 -5.992 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 11.251 7.812 0.251 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 2.524 -2.908 -0.387 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 -0.656 -2.053 2.736 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 -2.224 -2.298 13.074 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 -1.446 7.964 3.672 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 -4.319 4.058 2.834 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 -1.861 6.290 -4.081 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 -6.172 3.783 -1.762 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 -0.299 2.260 -1.181 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 15.528 -19.414 11.581 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 0.450 1.146 -1.105 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 -1.902 -0.954 0.249 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 -1.769 -4.415 5.361 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 -25.338 18.620 -20.926 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 4.433 -5.949 -0.978 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 4.546 -14.748 2.736 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 -8.801 1.325 -6.999 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 -10.856 -6.432 -15.899 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 -0.809 7.059 -3.088 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 1.765 -1.572 2.326 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 0.094 -6.889 1.648 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 0.154 -4.048 -1.761 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 -4.666 2.347 1.587 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 -2.780 -1.749 -5.533 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 -31.889 6.626 -0.254 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 16.070 -0.650 5.551 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 -4.586 -4.715 9.560 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 -8.108 15.211 -20.751 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 -2.435 1.736 -0.193 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 7.208 -2.320 4.714 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 -5.975 -8.699 -16.243 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 2.301 -1.076 -3.745 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 -0.166 -4.142 2.759 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 -5.638 1.071 -18.849 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 -1.914 4.533 2.756 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 0.965 -3.303 6.054 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 1.113 3.844 6.828 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 -1.279 -0.088 5.526 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 -1.413 6.387 0.060 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 12.275 2.102 -7.389 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 -6.955 6.609 0.970 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 -0.890 1.138 -6.886 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 1.806 0.210 0.290 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 -1.037 1.576 -8.000 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 -6.903 -2.462 -4.969 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 -1.303 3.545 -3.192 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 2.111 -3.411 -0.346 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 9.177 1.113 6.392 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 -1.943 -6.588 -2.313 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 -7.672 -1.668 -2.332 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 -9.285 -2.973 -3.039 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 -2.347 9.414 13.670 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 -1.236 -0.323 5.451 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 0.773 1.132 -1.295 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 -2.266 4.066 4.314 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 -1.052 2.904 -5.918 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 -2.501 4.197 -6.830 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 1.592 2.474 4.215 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 4.456 1.348 9.096 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 -2.032 -0.848 -4.253 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 4.869 -4.397 -2.274 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 -0.878 16.916 0.863 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 -1.792 -7.355 1.496 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 -2.066 -0.727 1.179 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 -14.626 17.588 -8.594 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 2.411 -5.997 3.353 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 0.912 -0.072 -1.596 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 9.705 -23.040 16.596 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 -1.800 7.978 6.341 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 -24.593 0.972 4.356 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 -1.830 -1.580 7.286 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 -5.501 -1.722 -4.228 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 1.940 -19.238 10.268 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 0.394 20.342 12.666 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 6.271 4.168 0.644 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 -8.733 1.688 1.213 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 5.237 0.859 3.230 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 1.384 0.538 0.919 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 -21.106 -6.503 15.679 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 -2.008 1.067 10.228 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 1.561 -5.900 -2.593 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 1.864 -2.241 3.032 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 -6.271 -13.043 2.141 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 3.507 -4.087 -0.672 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 0.207 1.439 2.504 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 -3.712 4.734 0.858 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 -4.631 -0.451 -4.719 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 -8.225 -3.862 -1.798 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 0.006 3.192 1.379 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 -3.806 23.157 -14.684 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 -8.448 -0.768 -3.321 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 -0.854 -11.772 5.781 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 -12.979 -8.599 5.488 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 7.742 -1.236 0.803 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 -0.328 10.391 -3.617 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 -9.740 -2.904 -2.567 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 -0.750 -3.335 -6.594 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 -2.366 -2.180 7.127 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 -9.035 -1.816 -22.779 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 4.725 2.085 3.640 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 6.554 -5.916 -3.431 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 -2.121 -2.799 1.795 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 5.645 -0.981 -0.398 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 17.018 23.796 -45.130 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 -7.305 25.031 -10.031 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 -6.764 0.279 1.080 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 -3.604 -3.029 1.036 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 -4.070 -18.597 -0.906 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 -3.804 -9.416 -3.326 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 2.542 8.859 3.398 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 7.267 8.083 4.117 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 3.331 -7.069 4.169 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 5.254 -1.305 -4.516 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 -13.639 8.253 8.667 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 4.436 -1.701 9.669 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 15.336 -7.518 -12.786 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 -1.313 5.154 0.875 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 0.523 0.258 1.111 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 4.095 -0.530 -5.368 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 -1.391 0.079 5.740 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 0.316 -1.242 0.022 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 8.956 -1.943 3.172 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 -11.868 14.406 11.337 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 1.488 -2.687 15.558 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 -2.245 4.213 -2.603 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 8.985 -0.732 -0.106 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 -6.355 -0.860 -5.014 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 -0.288 -0.785 1.471 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 31.343 30.430 -3.433 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 -2.380 3.444 -0.188 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 3.291 -2.162 5.973 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 7.497 -15.796 -45.230 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 -0.723 -3.054 1.004 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 4.982 -6.359 2.673 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 1.401 1.321 -5.717 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 -0.704 3.643 0.543 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 -1.681 -0.447 -0.620 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 -14.624 -16.747 -6.872 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 0.235 2.239 1.525 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 2.264 0.142 -0.246 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 -6.844 -16.014 -8.282 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 4.277 10.141 4.606 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 0.269 3.554 8.950 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 -2.284 2.460 -6.827 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 -4.043 8.108 -3.303 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 18.993 11.820 7.982 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 5.272 -1.390 -5.142 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 -6.026 -1.445 0.906 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 6.461 -2.946 -0.431 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 6.433 -3.154 -11.287 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 2.040 -6.780 0.130 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 -1.686 1.741 -8.092 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 0.864 1.681 3.167 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 3.681 -4.366 -3.535 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 3.974 4.410 -0.328 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 -5.913 1.258 4.709 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 6.297 29.091 -3.230 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 17.824 -4.109 -5.873 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 5.175 5.722 -3.180 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 5.867 9.698 -2.365 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 3.802 2.674 -4.782 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 -2.512 -6.394 -5.934 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 33.135 20.177 3.250 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 -7.252 4.385 5.559 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 -3.258 -0.532 -11.537 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 -13.395 13.038 18.213 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 -1.907 -0.520 -1.819 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 2.146 5.107 17.388 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 -7.719 6.653 -5.494 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 -5.003 1.327 1.592 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 1.509 2.102 -1.864 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 -0.847 11.686 11.390 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 -2.571 3.068 -1.264 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 -7.448 -2.999 -7.756 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 -5.860 -1.874 -1.402 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 -2.892 -3.745 5.543 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 -14.620 3.351 -18.271 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 -1.296 5.087 -3.110 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 -10.859 25.035 -3.517 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 5.814 8.545 0.777 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 2.438 0.741 -10.836 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 0.004 1.181 1.544 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 -2.644 -1.728 -1.445 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 2.178 -7.639 1.164 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 -0.816 -0.832 3.450 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 3.023 -3.884 -3.882 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 -9.407 -0.473 -1.689 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 -3.170 4.116 -2.631 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 32.124 -30.251 29.589 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 1.556 -1.222 1.299 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 3.712 5.689 -9.107 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 2.724 -0.813 -3.025 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 0.319 -5.244 -4.909 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 7.524 1.463 -4.573 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 2.633 -1.694 0.222 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 1.834 -7.487 6.905 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 5.467 14.421 27.284 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 -4.514 0.233 3.975 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 0.672 8.032 -8.633 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 -2.925 1.293 -1.569 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 7.493 -0.647 -3.796 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 -3.703 -0.830 -3.090 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 5.233 -5.152 -0.690 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 3.052 -3.754 -1.656 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 -0.674 -1.323 0.662 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 12.100 -22.233 -5.323 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 -0.478 1.116 3.198 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 -3.103 -3.620 5.436 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 -4.799 8.606 -1.978 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 -0.505 5.241 1.569 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 -7.637 -24.841 -6.259 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 -3.268 -2.555 14.673 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 -28.207 24.035 -3.756 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 3.425 7.111 -0.993 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 11.690 5.994 -0.744 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 -0.763 -2.904 3.182 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 2.933 -3.126 -2.330 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 1.935 -3.026 -0.980 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -4.585 7.631 -2.370 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 -7.692 -2.095 -1.852 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 -4.035 -6.116 2.418 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 -12.727 17.214 10.418 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 -6.913 2.819 -23.313 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 -1.425 -5.575 -6.252 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 -6.143 0.783 -0.365 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 1.850 2.245 -2.642 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 -3.642 -9.383 -4.069 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 -15.432 -0.594 1.179 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 2.494 -3.717 2.583 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 3.780 -0.812 2.987 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 3.724 13.845 24.612 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 -4.598 -0.418 -1.651 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 4.860 -4.273 4.941 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 3.007 -1.048 1.636 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 -2.023 0.517 -1.487 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 -1.093 -6.307 7.464 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 -8.022 12.727 13.334 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 -2.222 -0.285 2.384 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 1.917 -2.406 -1.995 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 -0.829 9.569 -8.127 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 9.038 -26.849 -18.390 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 2.781 -3.823 -0.273 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 -5.456 -7.331 0.584 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 3.159 -1.206 0.156 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 4.630 30.953 7.505 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 2.227 1.344 -1.654 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 7.929 17.222 -2.473 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 -6.067 0.034 -1.388 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 6.937 -16.375 -1.303 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 5.406 -7.698 -2.728 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 1.775 -3.864 -0.874 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 -1.374 0.720 -1.719 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 9.946 2.789 -0.864 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 3.685 -8.421 3.363 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 5.406 -1.951 9.621 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 7.608 -2.005 14.010 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 10.077 -11.415 11.205 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 -1.776 -3.540 -4.315 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 2.411 3.594 -0.681 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 1.539 -0.567 -1.333 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 0.733 5.683 4.271 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 8.639 -13.889 15.565 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 0.317 -5.173 -3.655 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 -6.314 -3.308 -0.474 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 18.870 28.780 15.663 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 3.112 10.635 8.312 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 2.992 1.078 0.435 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 -1.667 4.597 -4.906 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 -7.484 -1.875 -1.819 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 -50.979 -6.923 -0.665 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 -0.280 -28.222 3.394 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 -8.682 -6.036 2.607 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 1.595 -0.431 5.337 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 -17.844 14.838 -3.333 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 -12.751 1.535 -3.264 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 -1.955 10.268 2.160 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 2.289 -7.995 4.489 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 -9.244 -13.182 -12.998 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 1.651 6.432 -6.489 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 9.739 15.137 9.849 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 -3.411 -4.105 3.077 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 7.739 -5.759 -2.707 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 2.935 0.704 2.029 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 0.516 4.362 2.556 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 3.887 -3.890 -3.071 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 4.219 -3.288 5.588 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 -2.206 -2.276 -2.990 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 -2.664 6.795 11.702 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 2.562 20.310 -33.111 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 13.025 -10.557 3.064 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 6.337 1.030 -4.922 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 11.583 20.182 2.102 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 -2.894 5.450 -5.093 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 1.569 0.776 1.995 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 -2.749 -35.794 3.256 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 -2.936 0.984 1.502 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 0.224 -0.505 -1.875 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 4.509 8.906 -1.772 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 4.028 -2.235 -3.165 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 4.083 4.264 1.381 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 3.503 5.131 -4.780 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 -1.538 -2.113 -1.737 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 -1.316 11.916 5.550 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 -9.193 -6.895 -4.923 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 5.412 5.048 -7.898 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 4.525 -4.370 -4.760 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 -17.209 -18.600 -7.191 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 5.919 -2.839 -1.895 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 11.028 5.331 4.303 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 1.856 -0.442 -4.769 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 -2.485 -7.426 -7.274 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 4.028 -4.518 3.823 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 0.253 -4.553 -11.943 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 4.076 5.073 -4.887 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 -0.144 0.845 3.644 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 0.393 -2.403 -0.122 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 -5.131 1.251 -0.490 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 10.680 6.051 -2.398 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 -5.310 2.494 -4.321 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 4.613 -0.551 0.609 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 4.471 1.228 1.805 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 12.642 -13.058 23.295 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 -0.316 5.287 -0.695 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 -3.851 -4.776 -0.506 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 5.818 -33.947 -5.111 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 -0.008 1.639 2.471 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 -1.069 -3.609 2.720 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 -5.125 -14.382 6.230 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 1.343 -4.518 -2.670 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 1.815 -0.843 0.906 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 2.784 -9.985 -10.570 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 -4.051 4.434 -8.735 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 2.799 -4.674 5.319 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 -6.377 -4.445 -0.954 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 -0.403 0.175 -4.032 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 -4.456 22.376 -18.608 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 24.718 1.827 -14.340 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 0.780 -1.662 4.219 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 1.959 -0.241 3.274 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 -12.555 9.115 16.656 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 2.637 -0.191 3.484 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 11.385 -9.520 -0.064 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 5.923 4.804 -0.264 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 13.361 -5.048 -0.681 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 -0.442 -3.772 2.197 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 -2.013 -2.756 -1.160 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 4.937 4.054 5.844 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 -6.590 7.064 14.331 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 1.296 -3.985 6.658 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 3.838 4.318 0.943 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 -4.590 1.304 -7.896 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 -2.121 -3.492 -1.209 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 -8.311 -1.175 -0.005 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 2.735 -3.026 1.018 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 -8.993 26.268 -7.307 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 0.104 -2.948 -1.941 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 -7.714 -0.863 2.082 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 13.144 -2.828 -21.861 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 -6.279 0.993 -0.412 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 6.424 -0.784 -9.892 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 5.884 -6.637 19.117 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 0.026 13.832 -3.942 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 -2.444 2.474 -8.087 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 28.215 15.067 16.489 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 7.113 -10.041 -4.329 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 1.486 18.317 -3.039 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 2.594 3.165 0.724 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 0.606 -1.741 1.217 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 0.992 0.627 3.516 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 -0.891 -9.581 -0.878 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 -2.901 5.076 -0.663 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 6.957 4.189 -9.532 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 -0.307 -0.895 2.170 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 5.027 1.216 4.222 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 -11.345 3.358 28.317 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 -12.057 -4.580 -5.301 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 7.762 3.389 -6.418 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 -2.637 -2.091 -3.720 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 14.460 -16.330 32.662 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 -0.871 3.112 -2.813 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 1.168 4.611 2.892 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 2.763 -2.102 1.480 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 -6.030 0.643 -3.699 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 2.285 -1.023 3.793 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 4.889 -3.890 -2.012 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 1.595 15.207 -9.310 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 -6.426 -8.888 -5.375 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 9.283 -3.898 1.162 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 10.278 -0.341 -10.602 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 6.156 4.812 1.554 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 2.486 -3.609 2.494 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 -12.893 3.303 -4.615 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 10.166 -4.521 2.042 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 3.774 -5.490 5.760 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 -26.067 -30.665 -9.501 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 -6.548 7.579 4.578 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 2.838 2.570 -3.213 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 -13.927 -1.275 2.108 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 3.691 1.973 0.185 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 -3.559 -0.543 1.841 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 -12.086 3.354 10.578 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 1.162 4.141 7.565 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 1.127 2.122 -4.778 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 -9.432 0.694 0.991 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 1.338 -4.260 -8.039 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 3.552 3.280 2.720 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 -8.758 -6.290 -15.181 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 0.478 -6.101 -1.199 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 1.523 -10.701 1.576 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 2.270 1.790 1.327 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 3.344 12.601 -0.693 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 1.735 -4.445 3.693 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 -14.357 -26.173 -16.160 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 -1.545 -2.525 0.258 1.00 0.00 SBOX O ATOM 2339 P URA A 80 0.694 2.349 -4.396 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 0.747 1.287 -1.341 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 -5.995 -1.446 3.049 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 -3.378 -1.936 0.675 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 -2.055 -8.415 -1.013 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 7.521 -7.961 -11.379 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 -1.136 -10.835 13.399 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 0.961 -5.614 6.219 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 21.427 -8.384 38.391 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 -0.443 -0.669 -3.478 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 -1.212 -0.028 -4.171 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 -19.192 5.121 15.300 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 2.925 -4.658 -2.476 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 0.198 1.876 -0.931 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 22.911 14.104 -24.041 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 -2.914 -1.033 -4.423 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 -6.162 7.892 1.725 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 0.451 0.005 -2.917 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 5.820 -3.785 0.399 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 -2.842 2.120 -1.886 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 -16.848 -36.904 -10.870 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 -1.050 -5.228 -1.644 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 6.849 -1.734 1.277 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 -5.083 -0.589 -5.078 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 -13.385 -10.240 -27.862 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 2.589 0.385 -6.450 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 -4.934 42.887 -10.513 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 0.014 -7.778 -0.159 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 4.625 -22.437 1.364 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 -0.436 5.180 6.348 1.00 0.00 SBOX O ATOM 2369 P URA A 81 -0.647 -2.804 -0.388 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 -2.392 4.919 -9.617 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 -1.082 4.376 -5.892 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 -2.502 -0.231 13.298 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 -0.853 -7.309 7.889 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 -27.499 3.568 31.214 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 -13.864 -13.380 1.342 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 1.428 3.655 -5.437 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 15.966 -14.409 -5.501 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 3.050 -1.234 6.102 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 -4.073 0.634 7.221 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 5.519 1.272 -1.350 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 3.706 1.954 1.637 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 3.339 -0.564 -3.432 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 14.883 14.540 3.064 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 2.361 0.977 -0.734 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 17.771 9.627 5.958 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 -1.769 -3.422 -4.014 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 -1.790 -4.137 -0.767 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 1.984 -0.156 -5.080 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 -10.401 -20.241 20.400 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 3.609 -2.210 3.580 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 -0.906 -4.097 -7.669 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 -5.728 -5.123 6.261 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 -28.131 -12.223 -26.310 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 0.994 -7.040 -6.228 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 -4.366 14.622 -29.743 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 -2.409 4.653 -2.898 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 11.607 37.483 -6.668 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 -0.867 2.832 -6.400 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 -2.593 -3.931 -4.911 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 -5.003 4.350 -2.643 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 -0.321 3.561 6.183 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 5.238 -0.026 6.021 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 -6.502 4.904 -2.453 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 10.468 -8.733 -5.924 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 -9.790 -0.578 0.523 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 -8.651 -2.308 0.893 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 0.240 2.789 5.289 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 3.144 -6.874 2.459 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 3.311 -5.085 1.093 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 -4.206 -8.000 -19.201 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 3.070 -1.704 -5.338 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 -1.165 4.126 7.133 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 1.084 6.687 10.308 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 -4.197 4.977 2.540 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 8.458 2.292 -4.534 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 2.910 3.138 5.268 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 -2.874 2.353 2.924 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 3.812 4.382 2.472 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 0.736 -4.413 -1.057 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 -3.640 9.491 -2.866 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 5.182 2.640 8.078 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 -6.130 -0.020 -6.319 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 22.150 -19.523 -9.246 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 5.343 -5.421 -7.501 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 7.997 1.676 2.409 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 4.010 -2.156 -2.207 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 -11.550 -23.577 -29.793 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 0.081 -2.708 0.604 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 -3.660 -6.924 -11.433 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 2.769 4.043 -6.348 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 33.715 -12.271 -17.913 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 0.277 -7.271 1.392 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 -1.363 -2.640 1.441 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 1.592 -3.405 -5.999 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 -1.788 -1.106 -3.529 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 3.813 -1.126 -2.374 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 5.587 2.254 6.714 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 35.310 4.536 3.596 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 18.758 -7.269 -9.178 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 -0.553 -2.978 1.242 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 0.121 -18.465 -17.096 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 5.993 0.209 -3.957 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 -5.125 6.700 2.654 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 -6.556 0.662 30.426 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 -9.134 0.786 3.151 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 7.310 5.972 0.238 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 0.690 17.960 -8.496 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 0.487 -3.881 -4.835 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 -5.545 -2.409 1.543 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 5.076 2.264 6.269 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 -6.462 -0.062 -0.132 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 -10.528 -11.120 -11.132 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 -5.517 1.848 -10.207 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 -0.567 8.245 0.099 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 6.534 4.743 2.605 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 10.856 -11.753 52.568 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 -7.838 0.598 6.113 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 4.824 4.942 -4.295 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 -6.175 -12.158 1.384 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 26.487 -0.397 5.856 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 5.098 -0.673 -3.530 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 26.235 -4.582 15.059 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 -1.318 1.855 -4.578 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 -6.846 1.722 -9.874 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 -4.162 6.372 1.215 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 0.632 1.838 0.039 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 -4.682 -3.099 -4.605 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 -5.695 -1.264 0.374 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 4.565 1.091 2.473 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 -2.484 5.498 -4.915 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 18.326 -2.653 0.393 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 -1.413 -29.413 1.344 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 -5.355 11.384 -0.379 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 0.474 17.815 32.175 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 0.646 0.668 -4.489 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 -1.812 -4.925 1.296 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 -4.326 -3.401 0.450 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 -4.254 -2.429 5.912 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 4.803 5.128 -0.706 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 26.391 -13.786 -8.744 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 -0.363 4.818 2.043 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 -1.388 -4.473 -1.880 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 8.210 4.490 -4.229 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 1.169 -5.304 -0.537 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 -5.794 -12.649 -3.062 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 6.135 -1.763 2.523 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 4.346 -0.601 -4.878 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 -3.190 -2.944 -2.355 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 -5.120 0.162 -3.410 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 -8.674 -7.017 -7.129 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 -1.448 -3.738 -0.001 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 -4.659 4.824 4.065 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 -8.918 -5.174 16.870 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 -7.960 -1.320 -1.634 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 -37.256 4.848 9.525 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 -3.705 7.059 -0.252 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 1.210 1.096 -0.763 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 7.453 -6.581 -1.806 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 -2.978 8.649 -0.465 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 0.013 6.058 -0.165 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 -4.472 -0.051 8.430 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 0.372 3.966 3.483 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 3.650 0.299 0.097 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 -14.993 -3.442 -5.619 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 7.076 -14.461 5.939 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 -1.407 2.887 -5.170 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 -6.127 -11.237 -7.909 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 6.426 -6.339 -1.373 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 5.447 1.203 -0.485 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 1.012 6.043 -0.685 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 -2.231 0.397 0.322 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 7.407 -1.505 -3.037 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 -17.899 -20.576 7.669 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 -1.058 -6.664 8.545 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 -2.125 3.355 0.095 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 1.493 4.352 -4.137 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 2.622 -0.254 1.091 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 19.602 38.201 -0.541 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 -7.083 -2.741 -0.861 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 -3.562 1.783 -3.183 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 0.341 -1.182 -4.730 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 11.738 9.455 1.590 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 7.880 4.600 4.326 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 10.136 1.747 -2.185 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 -1.785 4.652 -5.772 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 -27.836 7.153 -23.720 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 -3.192 -3.146 -6.240 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 -8.915 -11.715 18.502 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 1.387 3.996 0.357 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 4.067 1.427 -2.594 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 2.087 0.924 7.569 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 -1.896 -2.289 1.755 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 -0.905 -0.070 -0.783 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 -3.083 1.390 -3.226 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 -9.143 3.960 -1.149 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 -5.057 -1.120 -9.484 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 -5.111 1.848 -12.554 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 -13.557 3.612 10.320 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 -7.377 -6.836 0.123 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 -4.146 -1.174 1.928 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 -0.226 8.593 1.447 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 -2.843 -1.240 -3.729 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 -11.276 14.229 -3.197 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 -5.335 -2.742 -2.946 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 -6.810 -4.706 2.141 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 -12.996 -14.789 8.735 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 13.373 -0.875 2.105 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 2.965 -8.431 -3.850 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 5.380 -4.007 2.349 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 -3.542 2.328 7.879 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 7.155 6.018 -3.682 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 3.511 -1.622 -12.377 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 0.460 0.159 -5.705 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 5.311 6.427 -1.001 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 4.352 10.300 -7.158 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 -27.461 15.183 -12.044 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 -2.039 2.809 2.760 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 -1.254 3.219 -10.517 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 8.323 -2.244 8.200 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 -11.278 -16.164 0.868 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 2.525 -3.348 2.918 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 -3.199 9.871 -17.806 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 0.640 3.539 6.707 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 2.949 -1.481 3.885 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 -4.611 3.903 5.536 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 -1.807 3.189 -2.252 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 0.881 -2.917 5.568 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 0.487 2.009 0.936 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 -1.302 -2.380 -3.541 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 4.916 -5.923 -4.207 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 -17.320 7.465 -19.529 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 -4.382 0.108 -4.566 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 -3.406 6.129 3.073 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 8.480 -0.430 -1.963 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 -0.860 -5.784 -9.825 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 -1.392 -2.440 3.887 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 -0.941 -8.479 5.956 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 -0.235 2.903 2.839 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 1.771 2.860 -4.801 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 2.839 -5.227 -4.023 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 -0.177 -1.269 1.981 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 -2.187 -1.000 3.798 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 6.403 8.958 9.389 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 1.729 9.523 0.305 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 8.498 17.041 8.575 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 -10.156 2.123 38.106 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 -1.467 -2.747 -2.369 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 3.073 -2.323 2.491 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 10.676 9.932 -27.053 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 3.867 3.851 8.586 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 0.726 4.672 1.965 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 1.830 8.344 -1.436 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 -25.879 2.927 2.267 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 -3.265 -2.484 1.668 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 -10.998 -5.737 -0.629 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 1.720 -4.868 0.854 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 2.944 -15.650 12.589 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 -1.309 0.819 -2.761 1.00 0.00 SBOX O ATOM 2599 P URA A 88 -3.352 1.712 -2.511 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 5.608 6.158 0.956 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 -3.941 -3.955 5.085 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 0.032 3.845 1.241 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 -10.332 -0.141 -2.228 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 -2.187 -5.479 -3.337 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 -0.760 -2.959 4.306 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 -0.577 1.894 4.885 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 3.458 0.855 -1.305 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 -4.401 3.208 2.126 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 0.786 3.446 0.156 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 2.588 -16.229 -0.868 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 1.761 12.767 9.282 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 -2.754 3.011 3.520 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 9.402 -3.793 10.670 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 2.300 0.755 -11.022 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 -15.722 -33.657 -4.466 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 5.246 -1.161 4.546 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 -0.508 4.784 1.417 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 4.886 -0.240 1.142 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 4.168 11.293 3.988 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 4.840 -7.999 -4.654 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 1.764 1.057 -1.620 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 -0.551 -5.909 -4.056 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 18.664 16.842 5.758 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 2.440 11.185 1.134 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 20.376 -2.085 -2.708 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 0.839 -3.464 -1.574 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 -46.283 6.891 -6.928 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 1.050 0.038 5.137 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 2.305 2.737 -3.637 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 3.220 4.208 -5.753 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 6.918 2.136 10.018 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 -0.917 7.536 0.930 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 -0.839 3.094 1.005 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 21.604 -8.040 -6.610 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 -22.795 6.684 17.631 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 1.141 -0.775 -3.090 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 -15.212 -18.988 -8.921 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 -0.718 -1.443 10.236 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 -1.891 0.306 3.333 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 -4.373 2.609 -17.137 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 -0.109 2.535 1.705 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 -9.050 13.356 2.754 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 2.818 4.036 3.496 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 -0.804 -0.161 5.201 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 7.671 -0.374 -6.190 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 -6.391 -1.398 5.069 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 5.430 5.397 1.736 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 -4.553 -0.041 -2.576 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 -6.104 -3.433 -16.109 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 2.870 -1.413 9.814 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 -1.055 6.852 0.682 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 9.103 35.704 35.061 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 -2.205 5.341 -0.912 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 -5.965 1.536 1.586 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 3.020 3.173 -8.584 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 -4.268 3.866 -1.896 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 -2.122 17.174 8.461 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 -5.917 3.538 4.738 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 12.643 16.814 -0.377 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 -2.844 0.719 2.831 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 -2.549 -1.895 -4.549 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 -0.629 -0.591 4.189 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 -1.875 -1.978 -2.206 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 3.481 -1.221 -0.250 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 8.539 0.300 -1.214 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 -0.297 -0.918 -0.381 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 -1.589 -2.041 -6.020 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 -9.054 -2.437 6.450 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 14.158 1.261 -14.649 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 -4.331 -1.392 3.943 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 -10.653 13.667 -11.760 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 -3.536 0.136 8.548 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 2.625 2.813 8.028 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 -15.276 15.568 -6.873 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 -1.604 -1.946 4.348 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 -6.893 -3.717 -7.127 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 4.829 10.743 29.243 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 2.951 -2.458 0.583 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 -4.385 -4.996 -3.381 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 -5.467 1.554 3.618 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 0.044 1.585 0.748 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 -17.629 -4.247 2.036 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 -17.413 -24.299 -29.676 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 0.386 -5.439 -1.577 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 3.656 -3.581 -0.396 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 5.218 -5.795 -3.472 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 1.714 2.483 -0.770 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 3.242 -0.010 5.007 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 -1.632 0.380 -1.465 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 1.972 5.104 6.826 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 -3.845 1.843 -5.859 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 -3.809 -13.330 -23.413 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 5.430 1.845 -3.421 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 3.540 5.418 -8.078 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 -0.342 2.000 3.554 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 4.664 0.290 -1.940 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 -1.820 2.058 6.081 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 -3.312 -1.361 2.650 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 -3.966 1.679 -4.683 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 5.889 -1.245 -1.273 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 2.993 -15.024 7.357 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 -18.622 -18.180 6.197 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 -0.518 -6.625 4.457 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 -12.779 20.396 7.992 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 -0.201 -5.894 -8.684 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 -2.050 4.710 0.181 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 5.405 1.476 -2.473 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 2.392 -6.657 3.950 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 1.882 7.345 -3.691 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 3.907 8.034 4.267 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 0.700 -4.809 4.118 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 -6.994 -3.138 0.746 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 -4.110 -5.142 -8.972 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 -5.019 2.388 5.126 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 3.487 -0.343 3.368 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 -6.355 -6.114 -0.970 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 2.051 -5.145 7.652 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 8.208 -4.784 -0.783 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 -3.350 -17.714 2.028 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 20.538 15.605 8.797 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 0.813 4.764 -1.902 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 4.137 9.156 0.159 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 0.444 0.495 3.443 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 17.037 -36.914 -33.106 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 -4.731 -6.088 8.723 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 -6.833 13.637 -6.514 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 7.693 0.939 -4.263 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 8.031 -21.830 5.485 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 2.876 6.807 3.093 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 2.158 0.554 2.734 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 -2.650 -5.316 -1.388 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 -5.230 -3.783 2.025 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 -0.455 -1.259 -5.669 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 -0.581 8.584 4.023 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 -12.488 -12.212 10.554 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 -5.639 12.785 7.485 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 6.492 -2.098 1.215 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 -25.899 -2.188 -11.087 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 -2.304 2.040 -2.793 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 1.951 5.288 -0.622 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 -6.538 12.157 -15.350 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 8.279 -3.909 -3.031 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 -4.430 0.352 0.059 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 -7.643 7.852 -12.579 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 -0.699 -4.853 -0.071 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 -25.154 -16.020 -21.688 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 3.784 -1.289 5.071 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 -2.628 -4.942 -0.798 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 5.084 1.255 -0.162 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 -4.029 9.056 21.756 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 5.350 2.979 -6.263 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 8.633 0.139 -0.056 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 2.810 -4.248 3.439 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 3.708 -3.027 -5.128 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 -11.513 13.316 10.601 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 9.627 5.399 5.482 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 -0.069 -0.946 -17.801 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 -5.900 5.755 -9.799 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 13.496 17.825 -4.419 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 -5.611 -2.286 4.280 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 -2.295 4.515 -1.969 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 -10.706 2.528 -3.556 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 -8.415 -2.632 3.537 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 -4.651 0.706 -1.586 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 1.270 -6.067 6.764 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 -0.491 -5.725 0.604 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 9.928 -8.273 1.822 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 5.950 -5.057 2.010 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 22.978 -0.044 10.687 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 -0.643 -7.919 9.344 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 2.662 2.507 4.029 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 4.423 -3.846 13.670 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 3.069 7.074 -1.837 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 -3.281 -4.709 -1.466 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 12.144 -23.016 7.798 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 -0.247 -2.247 3.876 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 13.669 -0.937 19.495 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 -1.209 2.368 5.766 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 4.426 -4.571 0.905 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 15.867 -6.899 7.078 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 -14.069 -17.331 -16.640 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 -1.337 -5.864 3.440 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 -1.335 -7.934 -3.249 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 -1.943 -1.385 5.434 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 0.137 3.588 -1.225 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 6.226 5.958 27.567 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 5.715 -0.437 -4.452 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 -4.298 11.435 -6.628 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 4.705 1.245 -3.111 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 -7.808 4.231 -6.644 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 -2.957 -7.090 -1.068 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 -2.214 5.031 2.079 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 -0.509 3.146 -3.260 1.00 0.00 SBOX ATOM 2794 P ADE A 94 -2.318 2.305 -1.608 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 3.646 3.995 -3.019 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 -3.865 -2.473 -1.231 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 1.095 0.958 0.139 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 2.697 -0.111 -4.170 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 20.830 -20.500 3.880 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 8.228 4.664 -8.983 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 0.495 -1.667 2.351 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 -13.534 -13.563 13.146 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 -3.749 3.661 -5.289 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 2.026 0.389 2.533 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 6.145 6.187 0.148 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 -1.143 0.885 -6.652 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 2.072 0.507 3.151 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 -7.983 0.806 2.676 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 -4.671 -1.248 -3.353 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 -2.335 1.941 0.747 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 -0.458 7.835 3.504 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 -1.219 -6.735 -10.931 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 -9.873 -1.454 -3.954 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 -10.043 7.170 -15.224 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 4.540 1.545 -0.524 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 0.309 6.563 2.955 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 -32.745 -26.310 -4.000 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 2.869 -4.453 3.782 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 -1.092 -0.089 12.143 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 14.017 2.740 -7.060 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 8.650 3.905 -11.508 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 -4.022 2.427 -3.026 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 14.805 -10.087 -25.507 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 1.299 0.454 2.478 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 -12.578 -4.049 1.072 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 -2.290 -4.618 -3.791 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 4.327 -2.149 19.124 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 -15.704 -11.121 4.650 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 -3.898 -3.967 3.222 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 0.085 15.083 -3.797 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 -2.749 -1.929 1.982 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 0.881 -1.837 7.394 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 -1.603 8.414 15.256 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 -2.779 -16.698 2.745 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 1.786 -4.383 2.500 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 -9.205 -0.905 -9.000 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 -12.431 0.959 -12.182 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 5.700 1.512 4.778 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 8.673 5.635 10.957 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 15.590 5.206 0.645 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 -4.483 -2.416 -7.572 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 -23.039 -14.152 -10.726 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 -13.447 15.370 -5.376 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 5.967 -1.101 -1.862 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 8.305 5.297 -3.666 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 3.714 -9.061 -2.350 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 0.666 -8.363 4.876 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 -8.899 -11.462 19.203 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 -10.087 -13.374 -7.285 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 -3.987 2.642 -2.740 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 -15.131 0.963 0.911 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 -11.117 -7.191 -9.393 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 1.709 2.977 -5.155 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 0.741 6.423 3.330 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 -1.611 12.283 22.746 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 0.077 -3.219 -3.437 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 -16.799 -12.903 18.025 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 26.375 -11.313 -6.644 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 -0.795 1.317 8.207 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 -4.997 -18.625 9.752 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 2.262 4.728 -12.332 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 2.734 3.946 1.434 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 -3.780 0.596 -7.200 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 7.360 13.836 7.623 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 -5.948 -4.949 -3.360 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 -4.569 -4.620 0.414 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 8.950 -0.394 4.677 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 -3.670 4.585 -4.379 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 -24.034 6.370 -3.548 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 -6.234 -15.019 3.092 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 -2.708 3.119 0.304 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 -9.299 10.245 16.210 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 17.976 9.248 -0.679 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 4.317 -0.682 1.683 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 18.044 -3.159 -7.454 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 -25.270 -4.321 -20.154 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 -9.686 5.313 9.001 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 -2.326 4.558 -3.196 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 -9.106 17.753 10.337 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 -7.043 -3.254 0.549 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 1.950 12.768 14.676 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 -19.307 -30.042 -20.486 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 -1.682 3.826 -2.108 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 2.792 -5.971 -6.166 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 9.239 2.719 -10.394 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 2.348 1.200 -3.676 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 7.988 3.771 -2.098 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 -0.067 3.809 -2.701 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 1.727 3.364 6.054 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 -1.607 19.908 -3.668 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 16.847 1.978 3.119 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 -1.157 -1.926 -4.281 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 -2.815 5.618 18.190 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 -2.040 0.987 -7.939 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 4.956 2.861 -5.458 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 -0.727 -16.130 -14.066 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 7.962 17.994 -18.528 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 0.747 -4.217 -0.009 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 2.953 -1.999 1.590 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 2.452 -2.819 2.175 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 5.685 -8.264 -2.459 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 -1.805 -9.459 10.996 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 7.566 -4.141 2.234 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 0.240 -1.487 4.995 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 -12.022 8.045 -7.008 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 11.732 3.836 4.645 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 1.276 -0.822 3.344 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -2.532 -19.071 -2.796 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 -4.098 18.252 -5.347 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 5.750 -0.022 -3.837 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 -0.574 -15.720 2.932 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 8.516 -6.395 -4.988 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 -2.936 -0.335 -0.223 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 0.292 -13.867 -3.291 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 -9.407 26.564 2.595 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 -4.403 1.921 -2.430 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 9.055 -5.953 -13.611 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 13.551 -4.476 -14.482 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 -0.337 -4.566 -0.282 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 -16.478 -11.204 -20.122 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 -7.034 -8.273 -8.278 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 -6.382 -6.612 4.719 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 -14.133 -5.830 5.038 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 14.343 -12.954 -24.557 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 -1.358 -2.164 -1.076 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 -21.284 2.877 11.088 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 -3.089 -2.183 -0.157 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 1.537 -1.634 -3.790 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 -6.123 -5.105 2.557 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 22.587 -5.342 -13.370 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 -3.187 0.149 3.864 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 -13.503 19.930 -2.520 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 -0.612 -11.506 13.535 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 0.010 -1.547 -0.097 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 8.342 2.076 -11.981 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 7.524 -6.771 -4.569 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 1.559 -4.845 -1.079 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 2.240 13.441 18.546 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 1.255 -29.099 -29.226 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 -5.497 -3.901 -5.513 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 7.510 -5.450 -6.798 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 -7.571 6.111 4.071 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 -9.865 5.617 4.994 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 -13.109 -5.843 8.111 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 -12.760 -16.043 10.286 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 -5.187 3.068 -1.762 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 27.900 -11.773 -10.209 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 1.168 4.777 -3.726 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 -2.151 -0.564 5.992 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 -17.362 12.106 -5.108 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 -3.279 14.890 -26.527 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 3.673 -2.824 -4.231 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 14.526 3.718 10.917 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 -0.822 12.242 -12.847 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 5.218 0.535 -0.525 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 3.575 -2.265 3.082 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 7.875 -1.451 -1.428 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 5.897 4.822 -0.396 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 -2.895 6.198 -0.926 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 0.124 3.908 2.730 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 4.173 -0.677 -4.516 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 7.063 2.190 3.070 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 10.832 -8.949 -5.306 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 0.628 2.278 3.239 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 -1.111 12.740 -5.859 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 18.503 -30.356 16.072 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 -1.090 3.549 -0.361 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 -8.742 -25.276 8.018 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 -14.339 -20.891 -3.513 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 -1.684 1.983 -5.867 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 21.525 9.233 -5.302 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 -24.297 4.869 -2.082 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 0.362 5.921 -6.772 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 6.505 -0.584 10.546 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 4.323 9.927 -7.127 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 2.429 8.242 8.329 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 20.718 28.049 -0.798 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 -2.151 4.512 9.840 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 -6.545 -1.230 1.548 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 -4.104 -2.314 13.898 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 -4.632 -15.276 -2.129 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 -0.657 -6.335 -6.654 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 11.069 -22.177 -9.396 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 3.938 1.289 -0.244 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 -1.075 1.027 -0.779 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 10.424 1.609 -4.979 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 -4.164 -10.615 1.681 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 -6.374 4.759 -1.713 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 23.858 23.710 -0.929 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 -4.586 5.904 -6.680 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 3.750 -0.943 5.681 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 -3.234 9.769 -5.269 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 17.847 -3.412 -3.082 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 -2.541 4.957 4.853 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 -1.147 3.716 -13.347 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 -7.838 13.602 6.327 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 -0.270 -8.394 0.803 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 -8.608 -22.228 -9.530 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 -3.342 -13.646 -8.426 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 -1.005 3.102 1.537 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 -12.398 0.029 13.615 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 5.614 -4.654 -9.703 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 -5.105 4.306 -9.279 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 9.547 29.739 21.512 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 -12.742 11.960 -3.920 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 2.691 3.650 0.645 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 -8.524 -13.314 -12.878 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 -17.659 24.224 1.672 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 2.630 0.439 0.816 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 -3.323 -9.979 5.260 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 1.201 7.093 10.649 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 -2.149 3.324 6.522 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 0.779 4.225 5.764 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 -21.396 1.429 0.395 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 3.566 3.456 2.969 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 -17.530 6.446 15.419 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 28.250 0.655 -9.826 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 -0.754 3.464 0.818 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 -8.075 18.518 -3.862 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 -4.843 12.582 -14.273 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 2.790 -1.466 5.384 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 2.133 0.398 7.724 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 5.025 -6.100 0.578 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 -6.671 -1.479 -2.474 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 -5.530 -14.119 -5.859 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 0.936 5.213 0.658 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 0.587 1.797 -0.008 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 1.672 -7.579 24.187 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 -21.039 -4.293 -4.057 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 -7.660 -4.970 0.071 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 -5.575 11.674 8.037 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 -27.272 -4.705 1.162 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 0.078 4.402 -1.695 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 2.358 6.333 -3.823 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 -8.872 2.396 -0.880 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 0.670 -1.325 -0.741 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 6.643 15.485 3.759 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 -2.391 -8.988 -15.136 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 -5.550 -1.668 -0.355 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 -6.811 6.810 -6.340 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 -0.105 -35.138 24.613 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 4.876 2.557 1.183 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 -16.162 -13.194 19.180 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 -24.438 4.467 -0.267 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 0.361 -2.111 -3.073 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 -8.740 19.872 3.665 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 -5.546 7.878 -2.179 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 2.141 -3.133 3.793 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 15.260 -6.531 10.863 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 28.395 -10.211 16.166 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 4.129 4.138 -4.480 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 17.317 -7.445 5.134 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 15.841 -13.360 -6.627 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 3.800 -2.799 3.810 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 15.089 7.638 19.302 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 -0.537 -6.428 -0.291 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 4.003 -0.293 -2.984 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 3.972 10.117 -1.016 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 11.677 2.991 2.866 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 -0.153 -7.632 -3.015 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 12.620 -22.596 1.600 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 6.544 5.835 -25.426 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 -7.766 7.912 3.646 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 15.349 20.562 33.263 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 -4.335 -5.943 2.954 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 1.516 4.982 3.774 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 8.310 -10.317 9.334 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 -4.526 8.456 -0.876 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 -0.668 1.235 -3.101 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 1.064 -20.957 0.044 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 2.284 -10.855 3.592 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 -2.852 -5.548 0.799 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 -3.873 0.407 -8.183 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 -25.806 6.336 14.707 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 1.658 1.753 0.641 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 11.301 15.048 5.996 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 18.524 19.657 1.341 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 2.917 -4.197 4.213 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 7.905 4.432 -9.053 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 17.450 -2.045 14.309 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 -1.247 -0.270 -2.380 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 -4.578 -24.043 4.715 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 -4.804 2.782 -2.684 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 0.192 6.258 -8.113 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 -0.442 25.636 -8.542 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 -16.164 5.044 -1.412 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 2.533 0.153 2.482 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 3.648 -6.082 -12.551 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 8.260 -23.831 16.157 1.00 0.00 SOLV ATOM 3090 MG MG X 205 2.248 -4.840 1.813 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 -0.193 2.245 3.054 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 -2.298 5.818 -2.170 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 7.501 12.126 -18.348 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 -0.098 2.617 -5.259 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 -1.768 -5.538 -2.808 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 -3.324 -1.246 -0.787 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 -9.132 4.011 5.889 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 3.158 -10.211 2.329 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 -3.290 4.893 -0.333 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 3.904 0.772 -5.940 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 7.543 12.639 -10.571 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 -4.928 -0.463 -0.811 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 1.410 -1.959 6.157 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 6.294 -10.302 26.028 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 -5.045 0.680 2.694 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 -2.632 1.031 1.542 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 -1.638 7.923 -9.528 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 -6.706 7.755 -9.215 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 -7.389 26.847 -28.846 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 -18.959 -11.064 -3.659 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 1.580 -1.355 -6.342 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 5.947 -2.214 24.928 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 2.079 2.025 -0.824 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 7.576 -11.111 4.806 1.00 0.00 SAM ATOM 3115 N SAM X 301 -4.272 2.422 -0.306 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 -0.224 31.084 -7.046 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 -4.622 1.510 -6.079 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 9.845 -5.050 5.119 1.00 0.00 SAM ATOM 3119 CA SAM X 301 2.100 -1.612 -0.091 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 9.447 10.980 5.801 1.00 0.00 SAM ATOM 3121 CB SAM X 301 0.041 -3.879 -4.084 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 -13.011 12.530 -11.704 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 5.108 -30.631 15.447 1.00 0.00 SAM ATOM 3124 CG SAM X 301 -3.139 -2.362 -1.941 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 -14.939 -0.241 -11.972 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 2.759 24.742 -23.927 1.00 0.00 SAM ATOM 3127 SD SAM X 301 3.289 -1.855 5.569 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 1.093 -2.609 -0.657 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 -9.542 -2.050 -5.756 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 14.809 15.884 -10.638 1.00 0.00 SAM ATOM 3131 CE SAM X 301 0.464 0.417 2.795 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 4.421 1.577 -14.247 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 8.774 0.559 8.801 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 0.897 2.304 2.675 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 -1.678 8.090 -1.263 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 -4.055 -21.937 -12.714 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 -6.589 4.883 3.137 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 -2.534 -4.656 10.760 1.00 0.00 SAM ATOM 3139 C SAM X 301 -1.132 3.743 1.492 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 -1.166 -1.912 -1.878 1.00 0.00 SAM O ATOM 3141 O SAM X 301 1.191 2.733 -1.476 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 2.513 -2.001 6.160 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 -30.177 -9.635 24.939 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 11.921 16.597 -14.745 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 -2.761 -2.292 1.316 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 14.856 -18.765 15.615 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 -10.681 22.372 -23.733 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 -2.457 6.681 -2.873 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 -4.308 -6.263 -7.864 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 1.930 11.229 -0.955 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 2.046 -6.764 5.011 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 8.938 -13.097 -0.571 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 -9.948 4.051 -3.832 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 -3.397 8.174 1.101 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 1.607 24.740 -1.944 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 -13.718 -2.871 7.799 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 5.734 5.256 -0.686 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 15.687 -8.881 26.232 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 2.974 11.166 -21.573 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 0.308 -2.266 2.934 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 3.558 8.010 -10.408 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 -1.748 15.107 -46.164 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 -2.951 -3.507 3.636 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 5.388 0.913 6.430 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 -6.389 -15.886 13.822 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 -2.056 6.219 3.435 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 -5.779 -0.526 10.055 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 6.607 1.162 3.031 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 0.989 -1.352 1.983 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 2.410 -11.165 8.202 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 5.361 -21.743 -2.694 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 -0.042 3.934 2.899 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 17.088 8.658 5.036 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 -1.387 1.378 -15.700 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 -2.190 -0.067 4.953 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 29.600 21.420 2.594 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 -4.571 14.962 -9.431 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 -5.746 -0.841 -0.474 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 3.291 -18.510 -16.336 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 13.676 -12.989 15.933 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 1.064 9.242 -4.808 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 -2.432 8.579 -1.885 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 1.142 37.691 24.097 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 -3.189 3.020 5.145 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 -18.702 5.816 -6.875 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 6.689 -6.487 -5.288 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 2.349 4.580 5.220 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 -23.617 5.149 18.006 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 -2.164 24.240 -17.514 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 -0.583 3.592 -4.237 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 -6.562 22.140 -30.043 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 -20.662 13.164 -21.276 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 -1.792 3.825 1.508 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 -3.151 -13.127 -6.971 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 -9.309 16.065 -15.664 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 -4.316 -1.099 -4.845 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 26.816 33.590 24.370 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 14.545 10.626 16.982 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 -3.084 -0.939 -9.951 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 5.519 5.009 -33.894 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 26.585 -0.385 -23.729 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 3.625 -4.591 -8.001 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 -5.387 -10.946 -6.569 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 9.494 17.613 -15.752 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 -4.252 -4.533 7.555 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 -5.290 -2.136 5.084 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 -6.495 -1.267 -0.396 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 10.081 -2.592 4.286 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 -2.878 -9.910 8.783 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 9.774 5.116 -5.562 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 1.064 -1.952 3.174 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 0.414 -2.441 5.330 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 -28.167 -14.131 -4.455 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 -5.316 1.690 -1.410 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 1.339 -8.360 -6.260 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 -12.277 6.167 -8.791 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 -1.594 1.830 4.299 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 -1.278 8.328 20.014 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 -0.807 2.505 12.493 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 2.304 1.602 0.728 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 2.674 -0.801 4.504 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 1.296 9.321 -4.636 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 -3.662 3.175 3.425 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 -10.911 -19.812 9.444 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 -20.945 23.136 -14.655 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 -1.018 3.148 -2.772 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 -10.032 -13.969 -1.431 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 15.462 31.200 -5.665 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 -0.015 5.233 -0.239 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 12.696 4.408 5.753 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 -1.105 -5.770 1.720 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 1.186 -1.050 -1.884 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 0.428 -1.256 -5.755 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 -18.305 -12.062 -11.219 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 0.422 3.215 -0.107 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 3.837 -6.030 2.610 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 -4.721 2.827 -8.136 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 -2.413 -3.394 -1.762 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 0.067 14.049 0.137 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 -1.175 -2.251 -1.895 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 -1.263 -5.346 -0.282 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 8.266 -3.755 13.187 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 7.439 2.162 4.274 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 0.385 -1.532 9.762 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 -14.777 -3.423 1.272 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 6.386 8.616 9.524 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 1.889 0.239 0.977 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 -6.647 -0.518 -1.553 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 -5.242 -15.478 -20.548 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 -0.467 -5.969 2.364 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 4.804 28.370 -14.044 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 13.762 -5.542 26.245 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 -0.495 -0.485 -3.363 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 -5.079 2.273 -0.293 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 -9.124 8.331 -17.073 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 -0.307 1.837 -1.495 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 5.927 5.447 -12.513 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 2.773 4.091 -17.638 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 -3.153 -0.772 0.736 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 9.470 18.509 -5.945 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -5.879 -3.153 0.002 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 -1.950 6.705 -4.033 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 5.624 -4.372 -19.324 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 23.723 9.556 -14.926 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 1.153 2.067 -1.809 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 0.565 3.197 -5.147 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 9.824 9.443 -18.538 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 -0.793 8.017 4.388 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 2.167 6.868 7.987 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 -3.460 6.930 -0.447 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 -2.298 0.590 -5.193 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 11.704 19.158 -31.466 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 -12.260 -5.779 0.767 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 -4.900 0.980 -3.715 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 -4.347 2.553 -5.029 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 -2.180 -0.432 -6.408 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 4.176 -0.846 0.176 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 1.361 -4.337 -5.539 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 5.750 -2.631 -4.901 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 1.498 3.995 -8.247 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 -4.730 -4.651 -4.768 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 0.182 10.691 -4.602 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 -1.739 6.697 -2.541 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 -3.843 -3.973 1.015 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 -2.752 -8.632 -3.684 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 -2.071 0.849 -0.422 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 18.206 3.229 -6.133 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 -5.187 6.122 1.165 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 2.437 -2.021 1.734 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 12.885 14.473 -5.841 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 3.908 -0.227 4.031 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 -1.827 0.500 8.325 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 -5.692 -13.400 -25.710 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 6.276 -1.698 -15.127 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 0.628 -3.230 0.799 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 -19.157 -7.081 18.790 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 23.929 -6.759 -15.105 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 -1.923 -0.638 2.914 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 -4.028 23.076 2.912 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 -8.012 -5.031 0.867 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 2.531 -5.747 0.686 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 0.700 -4.326 0.450 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 13.397 -1.530 0.197 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 0.349 -4.395 3.451 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 -10.103 -3.917 18.859 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 -5.347 -4.024 11.583 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 1.799 5.468 1.976 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 0.917 0.087 10.908 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 6.698 1.751 -9.161 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 -9.354 -2.784 -3.457 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 -12.581 3.455 15.664 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 -9.976 1.709 14.803 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 9.024 0.350 2.750 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 22.232 -21.658 2.339 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 -23.947 -9.487 -25.483 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 0.802 2.469 0.935 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 7.026 -1.782 0.545 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 -8.174 -2.023 -1.866 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 -0.224 1.298 -7.542 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 14.529 5.532 2.086 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 39.433 7.347 -0.667 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 -2.564 -6.326 3.780 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 6.556 2.423 13.478 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 -15.504 -10.341 12.443 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 4.558 2.200 2.067 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 1.511 -9.457 -3.766 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 13.956 8.347 -7.085 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 -5.341 1.702 4.939 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 -9.607 8.689 2.184 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 -10.854 0.422 -8.085 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 -4.589 -3.121 1.858 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 26.806 -4.867 15.543 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 7.008 -4.444 -6.405 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 -1.639 3.752 -0.773 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 -0.908 2.524 1.510 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 -6.699 7.149 -11.162 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 0.925 -0.111 -2.375 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 -8.049 -5.549 38.635 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 22.204 32.059 5.382 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 1.200 6.109 -1.206 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 -10.839 -0.717 -6.542 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 -11.386 -15.603 -20.994 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 -3.416 -0.045 -1.913 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 8.752 9.360 6.537 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 0.196 -13.445 -7.261 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 -1.235 -3.065 5.738 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 0.531 -5.822 7.652 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 1.310 -0.871 4.803 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 -5.374 -6.118 -1.751 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 3.773 -3.556 -4.951 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 -13.878 -12.226 1.754 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 1.032 6.153 5.973 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 -2.757 -3.180 7.056 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 2.504 22.155 3.145 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 3.501 6.342 -1.440 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 -19.381 9.603 -2.188 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 6.135 14.145 -26.697 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 -0.087 -0.358 -0.204 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 15.609 0.329 -18.862 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 0.034 1.543 2.175 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 -5.602 0.086 6.030 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 3.855 -25.475 -24.838 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 -3.253 6.734 7.273 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 -6.316 0.217 2.566 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 1.741 27.758 -0.251 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 -17.627 -0.639 29.400 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 3.051 3.165 2.720 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 4.441 13.448 15.364 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 -13.732 -13.284 2.259 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 -7.365 1.907 3.393 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 0.948 2.669 8.040 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 -0.031 3.295 8.726 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 -4.944 0.210 2.278 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 -17.157 -4.106 1.985 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 4.891 10.573 -2.317 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 -0.410 -1.377 2.112 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 14.053 0.572 -7.306 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 -4.170 -8.002 11.611 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 3.235 1.829 -1.286 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 10.250 -9.500 -5.750 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 6.313 -2.890 -3.102 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 4.362 10.518 3.341 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 6.415 8.583 0.620 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 5.953 9.703 -1.127 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 -1.871 -1.305 0.445 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 -6.969 2.928 6.384 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 -17.366 9.987 18.015 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 -3.344 -0.451 2.723 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 6.984 -15.978 -22.007 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 -10.695 -2.566 10.741 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 4.243 0.566 -2.812 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 19.921 -1.487 -6.095 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 2.645 16.028 -9.160 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 -6.011 0.738 -0.361 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 -11.218 -2.885 -6.868 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 -0.476 6.512 6.412 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 -0.250 4.070 0.277 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 15.267 -2.841 -11.655 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 -7.956 2.061 13.688 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 -5.421 1.244 6.386 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 2.219 2.543 4.934 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 2.579 2.265 4.755 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 -2.130 -1.020 -2.334 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 -6.649 15.339 -1.028 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 -12.538 10.781 -4.275 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 -3.341 0.898 -1.056 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 -1.704 -0.619 6.528 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 1.795 -3.232 -4.591 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 -7.595 1.271 4.961 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 1.150 8.389 5.563 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 -1.452 -2.675 -16.542 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 6.910 3.704 -1.967 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 2.051 -10.144 -10.743 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 -31.585 -3.287 -13.211 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 1.362 -12.038 -2.526 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 13.802 -24.073 -8.736 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 -3.180 -5.267 -15.125 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 1.814 0.886 -3.454 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 -1.514 5.341 1.652 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 4.629 -2.152 -5.986 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 -12.327 -1.335 -1.786 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 -0.023 32.922 8.962 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 -6.501 -18.210 -25.623 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 -2.877 0.798 2.782 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 9.138 -4.011 -6.003 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 1.212 1.273 19.022 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 -1.003 8.369 -5.184 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 5.255 -0.079 -6.239 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 -2.042 8.468 -5.529 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 -3.404 0.501 3.207 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 -3.508 20.449 -8.250 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 1.888 -6.279 -14.361 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 4.316 -6.420 -1.967 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 6.022 -8.907 -10.986 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 5.077 -3.717 5.977 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 -3.235 4.935 7.326 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 4.186 -1.281 -11.469 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 -5.008 3.312 9.935 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 0.374 -1.421 1.370 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 13.792 0.537 6.512 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 -4.061 -17.159 -6.630 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 -0.246 -4.585 -4.630 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 -0.208 11.800 10.447 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 27.948 -3.392 -0.186 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 7.132 -5.474 7.302 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 -1.873 -12.030 4.283 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 -0.700 0.760 -41.680 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 2.246 -3.206 1.831 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 8.651 -2.159 48.790 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 23.155 -12.749 7.710 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 -3.734 -6.168 -1.986 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 3.239 -7.271 -5.170 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 0.273 -5.726 -1.342 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 6.012 2.720 -0.563 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 -0.247 -6.978 7.904 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 19.167 16.032 -18.161 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 1.970 -9.714 -2.072 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 -1.530 20.397 -1.338 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 11.790 -16.929 24.320 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 0.290 5.003 3.683 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 9.062 2.750 9.646 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 0.350 -0.457 -2.868 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 2.209 -0.988 -0.129 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 2.526 5.661 -39.051 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 -0.514 -53.818 9.933 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 -2.757 -4.514 -0.337 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 -5.967 -20.170 -8.029 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 11.830 26.996 -3.129 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 -1.593 -0.387 -0.350 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 8.448 0.628 2.503 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 -10.681 2.256 -9.839 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 -6.424 1.374 2.243 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 29.758 9.331 -2.706 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 12.545 0.004 -9.846 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 -4.532 -2.860 -6.505 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 7.597 -22.066 -15.162 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 5.048 -28.568 -15.293 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 -2.130 -2.652 7.595 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 5.170 1.771 7.285 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 3.024 -6.780 10.437 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 -2.245 3.593 -3.439 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 -4.371 0.532 -11.691 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 -7.565 5.027 6.155 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 1.584 1.786 4.275 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 -5.204 2.502 -5.036 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 19.648 -0.620 -9.669 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 -1.145 2.291 -4.089 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 0.608 -3.429 -0.275 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 -4.352 1.877 -7.253 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 -5.415 -0.867 8.169 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 -19.995 2.390 -16.171 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 -29.437 -29.745 -1.012 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 1.337 -1.554 2.639 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 -16.887 -4.488 -14.061 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 -1.764 9.560 -0.510 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 -0.487 -7.491 1.504 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 -1.421 -17.030 11.561 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 -3.245 12.579 -19.341 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 -3.034 2.882 4.685 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 1.919 6.394 -16.362 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 -5.062 2.699 4.570 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 1.744 -3.709 -0.707 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 11.625 -9.655 9.244 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 0.068 -2.014 3.867 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 2.294 2.422 1.792 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 3.034 -8.194 -4.008 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 2.081 5.895 -3.216 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 -7.788 -3.716 1.880 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 -11.405 -6.275 -4.014 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 2.529 4.865 23.615 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 2.946 2.896 4.730 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 4.969 -1.437 11.881 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 -0.305 6.777 -7.533 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 2.428 -0.479 -4.204 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 9.170 0.446 -11.585 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 2.993 -8.008 18.391 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 -3.499 -0.413 -0.512 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 -35.442 -12.753 16.973 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 -5.503 -11.833 4.866 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 -3.235 7.487 5.729 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 -23.468 11.860 -11.525 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 -24.101 5.366 -7.598 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 -2.244 5.850 1.227 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 -5.400 -10.865 -35.392 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 -2.638 11.651 12.734 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 1.258 -6.746 0.110 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 6.185 9.587 -9.519 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 -3.240 -4.636 2.482 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 2.442 1.587 0.052 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 0.681 -7.185 -7.169 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 -0.087 4.720 1.482 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 2.372 -2.433 3.070 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 -19.928 -15.775 -0.917 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 30.793 17.880 9.795 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 0.844 -2.078 2.406 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 -1.096 15.405 -19.246 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 0.521 -5.191 5.668 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 7.028 -9.012 1.879 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 5.289 9.375 8.624 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 8.680 8.185 9.978 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 -0.949 -3.361 1.265 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 4.623 -16.867 -2.357 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 0.192 -10.314 9.366 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 1.603 6.644 -2.343 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 3.131 15.272 0.626 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 -5.087 6.794 2.150 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 -0.013 -0.104 2.731 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 -19.937 5.991 10.024 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 7.065 -0.406 9.331 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 3.081 -0.668 0.971 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 14.854 14.517 -2.394 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 -12.368 -7.780 -7.771 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 3.364 -0.840 -0.332 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 -26.301 -20.647 2.607 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 12.830 4.367 33.201 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 -2.361 1.011 5.155 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 0.115 6.739 -8.898 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 -7.247 10.925 -3.066 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 0.208 2.136 -2.648 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 -16.011 1.365 -11.613 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 12.254 7.003 20.013 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 -4.962 -3.225 -0.605 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 0.921 -8.210 6.253 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 -1.389 -6.317 -10.894 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 -3.442 -3.377 6.109 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 11.121 6.098 -5.002 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 15.494 -7.557 19.478 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 1.475 -2.602 0.715 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 -1.679 23.707 0.622 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 22.879 17.237 -22.555 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 -4.644 -5.778 0.893 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 11.444 0.203 13.996 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 2.720 -4.728 24.891 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 -2.616 -4.986 8.343 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 8.263 -1.870 -13.480 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 -13.169 15.779 12.387 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 -7.005 4.338 -6.601 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 -13.452 4.012 -7.463 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 19.470 -0.240 -10.569 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 -3.907 3.410 -0.249 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 20.284 -0.934 -6.732 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 -1.002 -22.203 20.511 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 -0.138 2.127 -2.690 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 -11.360 26.223 -6.164 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 -9.504 -16.801 -14.341 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 4.120 4.576 0.473 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 -15.929 -3.939 7.833 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 2.064 -3.245 11.749 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 0.564 6.817 6.773 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 -11.478 5.111 -21.673 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 8.542 32.216 -4.391 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 -2.220 -1.983 2.953 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 -5.905 2.711 -18.379 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 -15.092 -6.211 -5.278 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 -5.637 -0.728 0.332 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 -7.813 7.284 -9.419 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 -7.989 8.971 -21.166 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 0.562 3.866 6.280 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 5.231 -2.020 -0.226 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 1.903 3.728 6.264 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 6.160 -2.020 1.420 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 3.727 -3.566 17.418 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 11.706 -4.597 -18.947 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 6.005 -6.025 0.999 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 -5.346 0.027 -13.489 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 -10.991 2.387 -13.059 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 -2.901 4.355 -3.545 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 -3.236 2.957 5.190 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 3.896 -1.590 -7.197 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 2.962 -7.163 6.186 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 11.349 2.879 -10.856 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 3.643 -1.597 14.868 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 4.151 -3.017 -3.111 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 18.312 11.186 8.721 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 -3.966 -4.301 -0.581 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 3.468 0.579 4.446 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 8.179 -18.415 17.338 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 -23.865 2.544 -7.286 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 -2.677 -1.513 -1.753 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 0.756 3.269 9.382 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 -10.218 10.215 -11.235 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 0.893 0.426 -3.814 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 2.947 -1.334 1.727 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 13.142 -0.276 -11.978 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 -11.230 -5.583 -1.856 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 -0.645 11.437 -5.368 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 -7.104 3.740 -18.332 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 -1.262 -0.260 -2.420 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 -5.944 16.725 -26.522 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 18.771 3.277 -14.156 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 -2.203 -2.833 -4.781 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 -11.066 -1.379 -0.538 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 -11.411 -1.442 0.611 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 -4.328 0.210 -0.863 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 7.880 1.737 -5.073 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 -10.111 -1.917 -12.663 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 -7.885 -1.985 2.172 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 -8.130 9.109 -4.521 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 -28.650 -14.330 23.132 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 0.842 4.268 -0.109 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 2.067 5.723 0.846 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 3.127 -5.598 -10.504 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 1.362 3.359 1.665 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 1.166 20.310 -18.577 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 14.535 11.103 11.146 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 2.683 2.084 -0.170 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 -3.887 -5.450 0.741 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 -5.978 12.151 -13.128 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 -1.582 -0.859 -0.748 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 12.720 -5.731 -2.425 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 -13.737 -15.593 1.245 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 -0.329 -5.168 -2.233 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 18.852 31.299 -6.703 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 6.932 -18.844 -3.473 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 3.077 7.950 5.542 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 -1.526 -27.673 -2.559 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 8.147 1.752 27.332 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 -1.670 1.737 -0.437 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 -13.269 -7.659 9.031 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 4.822 1.722 -8.302 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 6.057 -1.296 -1.410 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 10.522 6.976 -7.428 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 1.571 -2.250 1.258 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 5.067 5.710 0.374 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 -3.814 -13.379 9.562 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 16.858 9.605 -4.708 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 -3.632 0.609 -0.854 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 5.281 -4.176 33.166 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 -3.288 0.288 4.171 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 -1.894 -3.203 5.806 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 -3.060 -1.566 0.474 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 -9.179 3.635 -30.911 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 2.133 -0.829 -0.837 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 17.537 24.081 -0.364 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 -18.947 31.711 -3.781 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 2.633 -1.193 0.722 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 -8.941 4.546 -17.480 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 7.468 0.230 -8.410 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 0.908 -5.355 2.640 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 14.822 -14.758 0.896 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 -10.034 -15.089 8.730 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 0.399 -2.127 -2.948 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 5.361 7.439 9.369 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 -0.812 0.188 1.264 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 1.314 -0.726 -3.647 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 4.769 -16.342 -1.554 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 18.326 -16.304 -17.387 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 -1.813 2.567 1.592 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 -8.011 12.541 -3.962 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 3.128 -0.574 7.243 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 1.769 2.193 0.994 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 13.344 -4.043 6.674 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 3.830 -0.450 -12.529 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 -10.586 -3.287 -2.370 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 -7.007 -12.415 -13.417 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 -7.251 -14.770 -11.741 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 -0.008 -3.938 -2.637 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 -18.662 5.059 12.386 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 14.777 -11.626 -15.687 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 8.659 -4.195 -0.868 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 -3.652 10.268 3.679 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 2.797 1.509 19.178 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 -1.595 5.937 -0.557 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 12.345 -18.883 14.149 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 -18.091 10.568 15.061 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 -4.392 -1.216 -1.978 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 -0.035 -13.112 -2.990 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 -3.818 -1.235 -2.365 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 5.572 -0.608 -0.338 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 14.683 0.204 4.094 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 -10.077 0.961 -6.992 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 2.272 -2.715 -1.698 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 12.472 -11.516 2.354 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 3.787 10.966 7.924 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 0.989 -5.656 0.098 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 -26.659 12.476 -2.330 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 -3.503 -8.326 -1.163 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 -0.793 -7.979 -10.035 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 6.615 -32.668 -24.889 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 3.741 11.971 3.407 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 -8.206 1.351 -0.893 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 16.205 -15.997 -3.469 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 -11.148 2.754 -0.247 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 0.612 -2.856 2.030 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 17.099 -8.614 6.305 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 8.104 -10.839 -9.161 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 0.481 3.480 -2.704 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 2.801 -2.953 3.116 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 -6.678 -4.764 -3.185 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 2.715 3.450 -3.194 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 -15.384 -11.844 -1.581 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 -7.559 18.621 -9.821 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 -0.460 1.338 -7.952 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 1.734 -1.556 3.972 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 2.044 -1.803 4.697 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 -7.554 2.070 -7.423 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 -5.555 8.668 -19.123 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 -8.631 -2.670 -2.111 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 -0.639 0.766 3.508 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 7.825 5.497 -3.902 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 5.692 2.148 3.834 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 -6.135 5.387 3.146 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 6.265 -9.802 -7.454 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 -14.935 15.032 9.095 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 0.200 -4.158 -8.454 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 -4.005 3.846 1.005 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 -0.771 -3.116 -5.023 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 1.963 0.565 -3.748 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 13.839 23.775 10.200 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 -20.916 10.252 3.380 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 0.705 1.988 -1.184 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 -5.239 0.041 0.520 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 -16.458 -2.724 7.147 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 4.189 0.592 -0.062 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 15.200 0.866 8.259 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 -21.876 17.574 -18.624 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 1.577 -7.333 1.088 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 -5.924 -0.367 -7.552 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 -5.593 -6.357 -5.501 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 -2.811 -9.882 -5.910 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 -1.190 -13.111 -19.109 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 -8.440 4.950 32.349 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 -1.943 -0.682 2.467 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 2.669 6.454 4.569 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 11.026 -8.289 -9.579 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 -10.127 0.052 -0.644 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 -12.153 3.301 12.444 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 -17.249 -12.682 4.832 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 -0.166 -0.943 -3.718 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 13.550 8.915 -11.196 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 2.859 -4.860 -12.968 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 -3.148 -7.525 -0.860 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 -8.790 -16.542 0.444 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 17.580 -1.053 1.700 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 6.892 0.424 1.778 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 15.317 -32.469 -21.268 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 26.517 5.781 8.056 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 -1.401 6.107 -1.447 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 6.126 21.319 -14.763 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 -8.720 10.935 12.156 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 0.586 2.117 -0.832 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 7.406 -3.833 2.846 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 -14.882 7.188 4.448 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 4.746 -0.230 2.901 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 -11.257 2.242 -8.459 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 16.846 6.292 11.366 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 1.225 -0.872 -3.691 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 1.705 -2.280 -17.520 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 -1.384 -3.410 -22.368 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 -0.981 1.152 -8.446 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 -12.178 18.783 -10.182 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 -6.508 -25.515 -15.676 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 1.300 1.032 -4.394 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 10.803 4.738 21.582 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 5.025 5.314 8.215 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 4.389 1.273 -1.878 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 -18.758 -15.152 7.955 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 -6.481 34.903 7.513 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 2.022 -2.093 4.362 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 4.499 35.635 5.904 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 4.164 12.934 2.352 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 -4.264 -0.343 4.923 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 17.765 6.944 -9.236 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 -10.722 21.582 16.879 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 -0.448 2.709 4.043 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 -6.282 2.202 8.561 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 6.567 -3.834 5.630 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 -3.429 -3.721 3.274 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 -11.119 -5.665 10.312 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 -6.243 2.880 11.129 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 5.565 0.384 -1.190 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 -4.072 -5.845 -3.036 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 15.464 -0.430 -2.941 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 -2.221 3.644 -0.606 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 -12.921 14.702 13.352 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 -17.028 47.057 -22.823 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 -3.194 4.193 1.356 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 11.453 3.433 9.018 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 -4.309 -4.410 1.362 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 0.174 -0.021 -3.939 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 2.808 2.218 -12.029 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 1.522 12.094 -10.779 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 -4.239 6.468 -2.329 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 -8.290 9.677 -6.464 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 2.199 4.297 5.958 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 -1.129 3.894 -0.216 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 21.104 13.564 2.677 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 30.121 -0.947 -1.790 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 -3.265 0.085 -0.757 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 -3.479 2.375 -1.729 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 -1.388 14.747 -8.213 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 5.082 -2.943 3.380 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 -17.349 2.699 -3.271 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 -2.579 -1.201 2.979 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 -8.334 -4.194 1.166 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 -4.954 0.988 -5.944 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 7.919 7.583 -4.429 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 3.857 -1.557 6.597 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 -3.228 -5.474 3.721 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 -7.042 -3.648 9.390 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 6.476 1.722 6.996 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 -0.115 -5.494 -1.430 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 -16.648 -20.314 5.141 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 -1.722 -4.789 1.643 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 -4.528 -20.291 -14.185 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 7.998 6.886 -31.978 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 -5.097 0.541 -2.795 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 -7.902 7.603 -23.802 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 3.349 -18.122 -13.366 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 -0.566 4.042 -0.500 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 -8.028 -9.787 -6.474 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 0.312 -0.249 18.997 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 6.470 -6.959 1.025 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 0.465 -0.760 3.524 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 2.328 -10.958 4.840 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 2.907 7.412 1.489 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 3.738 -0.158 -0.918 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 5.182 10.588 10.448 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 -5.383 2.563 2.023 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 3.136 5.835 32.918 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 13.046 -4.663 -3.333 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 -3.707 -0.174 -1.697 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 -10.178 11.391 10.860 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 8.764 2.840 -4.529 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 -1.807 2.233 3.296 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 -4.949 -8.869 0.343 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 -18.584 15.831 40.421 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 0.128 -0.934 -0.967 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 -6.135 2.337 14.576 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 10.630 1.353 0.817 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 -2.960 0.052 -3.325 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 2.074 0.488 16.895 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 -2.428 1.009 -5.657 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 -0.270 5.037 -2.217 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 3.006 6.744 4.828 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 17.283 10.693 -3.618 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 1.806 -0.150 -3.360 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 1.377 3.771 0.963 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 19.314 0.811 5.099 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 3.611 -1.626 -4.310 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 32.292 -6.673 45.441 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 4.707 4.295 -1.627 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 -2.125 -3.509 -2.599 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 8.690 3.989 -1.667 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 -9.249 -39.987 23.955 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 2.673 -6.522 0.167 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 -14.840 5.877 1.119 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 -6.630 4.336 14.976 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 7.328 4.326 3.168 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 -11.014 20.411 -0.643 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 -5.762 13.611 -2.982 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 -4.949 -5.513 1.028 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 8.969 0.355 -1.238 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 0.553 -5.657 -9.329 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 -2.690 -1.277 0.635 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 -14.519 20.064 -1.443 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 13.422 -3.272 -11.571 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 -2.299 1.587 -0.007 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 13.128 3.459 -0.484 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 -14.238 -24.127 5.818 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 -0.522 1.870 -4.016 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 3.019 -15.586 10.188 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 -11.879 9.064 -10.569 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 3.631 4.251 8.305 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 4.874 2.074 -11.588 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 0.437 0.810 25.920 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 1.599 1.484 -2.337 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 2.870 0.488 -2.264 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 9.458 0.443 -9.248 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 8.254 -3.572 -1.500 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 14.753 8.707 8.072 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 -5.177 4.490 -7.217 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 -4.781 -3.493 1.062 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 1.695 0.579 -13.001 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 -6.270 -11.031 5.349 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 -1.074 1.220 0.052 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 -13.224 -6.867 15.081 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 10.965 14.552 9.263 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 -5.529 0.646 -0.834 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 3.682 14.518 -20.234 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 7.141 24.098 14.277 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 3.833 -2.166 -6.430 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 15.310 -7.240 -14.231 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 10.927 -7.481 -9.005 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 -2.500 1.785 -6.676 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 -0.082 13.426 -1.749 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 -8.473 -3.393 0.558 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 1.845 -4.616 0.807 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 5.568 -0.706 2.704 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 -26.499 7.457 -25.193 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 1.668 -0.949 -2.977 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 13.214 1.683 -15.893 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 0.779 15.510 -1.172 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 -1.377 -1.659 5.676 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 28.703 -31.455 -18.772 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 -5.843 -8.438 -38.397 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 1.359 -3.948 1.143 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 1.120 -1.365 2.187 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 3.087 -9.687 -4.243 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 1.654 1.524 4.610 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 1.091 20.224 -3.630 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 18.753 -1.350 29.080 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 1.034 -0.133 -9.274 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 -0.024 -1.903 -7.974 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 29.257 -20.010 -5.929 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 -0.054 0.918 8.433 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 13.900 0.374 15.250 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 -9.110 -26.238 18.546 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 3.414 0.679 -3.063 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 -0.449 -6.960 7.368 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 -5.069 16.929 9.261 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 3.100 -4.019 2.136 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 -2.080 -8.187 3.313 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 4.085 -0.931 7.402 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 -0.466 -1.846 0.800 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 7.755 8.670 -18.102 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 -1.399 13.171 -24.693 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 1.849 -1.558 -1.853 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 -3.871 -0.883 15.713 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 -8.570 -6.405 2.559 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 0.713 2.721 5.410 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 -2.049 10.747 5.615 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 7.404 3.561 0.329 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 2.093 2.792 6.186 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 -5.104 6.301 11.246 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 18.419 -0.059 -10.832 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 4.592 -1.939 -2.363 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 6.688 19.960 -7.009 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 15.568 -10.785 -10.029 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 1.582 -3.976 -2.988 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 15.536 -7.074 -20.053 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 -6.324 7.199 -1.514 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 1.251 1.650 -6.592 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 3.191 -9.935 -6.262 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 -5.612 -1.813 -10.154 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 1.996 -1.118 1.592 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 -25.990 -4.751 -3.105 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 7.001 0.180 7.574 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 1.154 0.041 8.808 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 4.970 0.448 10.767 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 2.177 2.317 5.001 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 6.836 4.119 0.153 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 4.055 11.645 -5.495 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 8.860 -3.356 -3.622 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 -1.320 -4.098 -0.277 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 4.906 18.674 -13.444 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 0.789 1.834 3.007 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 -1.139 -3.709 -0.306 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 19.263 -0.744 -14.939 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 9.351 7.070 14.321 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 -1.617 -0.999 -0.793 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 17.230 -7.097 3.785 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 1.423 -2.429 9.886 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 1.077 8.294 3.350 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 -3.259 15.441 -11.002 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 5.748 -1.162 22.790 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 9.027 1.782 -2.335 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 -11.529 -10.601 -3.096 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 5.485 -3.474 1.169 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 -1.439 -0.763 5.494 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 -11.028 -16.993 10.367 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 3.744 -8.558 -7.015 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 -1.161 -2.344 -3.117 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 1.157 -6.270 10.874 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 13.236 7.040 -7.122 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 -2.475 -3.720 -0.502 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 0.284 -4.893 -5.863 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 -0.219 -8.225 -4.259 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 3.159 -1.578 1.444 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 4.533 -29.625 -10.087 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 -23.247 11.033 -9.075 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 5.313 2.849 -3.915 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 24.135 -6.996 -18.259 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 5.537 25.924 8.173 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 -1.196 1.617 1.081 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 -5.555 1.001 -2.211 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 -0.995 5.835 18.207 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 0.091 -1.982 -8.641 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 18.197 -30.823 21.124 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 10.032 -9.073 12.338 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 1.508 0.881 1.339 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 -14.403 10.658 37.527 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 3.939 -2.734 -2.312 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 -1.761 -5.174 1.115 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 -8.318 -6.410 -9.638 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 11.739 -5.634 18.150 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 3.546 10.676 2.309 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 11.213 5.054 -2.944 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 -17.668 15.313 -4.445 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 4.104 0.926 -0.231 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 14.054 10.705 5.216 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 -2.347 -39.280 -11.724 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 6.568 -4.620 -3.352 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 35.977 5.303 21.209 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 -0.101 8.645 -8.881 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 3.511 2.007 0.054 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 2.076 12.322 -12.517 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 -6.272 10.011 5.827 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 1.074 -0.081 4.238 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 -14.223 7.018 12.689 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 12.265 8.437 -9.383 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 -0.026 -3.508 0.035 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 3.267 -2.755 1.746 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 -5.865 0.774 -10.947 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 -1.206 0.919 -2.935 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 1.748 1.435 -1.838 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 -8.516 1.383 -3.120 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 2.049 2.489 1.112 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 13.521 11.389 -1.794 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 -0.211 -10.567 -11.288 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 -1.663 0.585 -1.716 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 7.200 -4.074 -3.073 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 -14.808 5.772 -0.202 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 -0.704 -1.753 -10.523 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 7.186 5.415 -11.415 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 6.479 -13.002 -9.159 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 3.121 0.033 -4.976 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 -12.863 -17.508 6.180 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 0.736 3.288 4.120 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 8.906 4.959 3.909 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 15.759 -15.758 -25.448 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 9.160 17.701 13.110 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 -5.795 6.082 4.708 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 -6.356 1.622 15.358 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 -29.750 -0.938 7.956 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 -5.014 1.107 -4.724 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 23.383 6.726 -14.626 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 0.014 -9.212 -10.716 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 -1.041 3.310 -0.587 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 10.117 7.098 0.481 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 -8.251 11.894 1.218 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 -3.989 7.017 -8.381 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 5.758 -0.215 -12.743 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 -1.168 -0.682 -0.788 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 -2.156 -1.911 -5.410 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 -3.507 1.553 -13.596 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 -10.505 -0.516 -0.651 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 -3.597 2.040 0.749 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 -7.287 17.005 17.712 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 9.688 -0.091 -0.618 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 4.099 7.130 4.269 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 25.683 -0.017 -4.670 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 -2.273 7.409 -2.824 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 -5.523 2.352 1.688 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 -9.996 -15.627 2.223 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 -22.127 3.514 -11.444 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 0.889 0.525 -4.711 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 0.761 -18.734 -10.909 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 -14.467 -18.721 -14.004 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 -2.772 -5.473 0.450 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 -0.304 -9.784 -3.936 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 -1.940 4.870 2.748 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 -1.659 3.286 4.591 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 -24.626 12.511 -0.625 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 -8.611 -4.733 -12.653 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 -3.335 2.141 7.483 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 -10.574 -0.332 9.311 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 -0.668 28.182 9.190 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 -1.921 1.707 -3.886 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 -13.751 -1.534 0.326 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 -8.698 14.475 -1.496 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 0.308 -1.658 -2.814 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 -15.008 6.004 -1.854 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 -6.983 2.772 -7.037 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 9.958 1.533 -2.199 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 23.960 -0.852 1.620 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 8.178 -8.117 -13.917 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 3.922 3.261 -6.393 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 -6.402 11.780 -0.401 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 11.547 -2.596 4.636 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 -3.782 -2.454 4.410 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 1.098 -7.219 -1.617 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 22.284 -19.256 5.645 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 4.787 -3.080 2.014 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 16.585 -11.977 5.970 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 -15.973 -15.078 10.200 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 3.144 1.908 -1.090 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 -18.971 4.903 11.262 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 22.647 3.775 -13.977 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 -1.531 -4.376 5.155 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 -24.376 -2.159 -1.491 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 -4.274 7.170 5.860 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 -3.144 -0.029 4.392 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 -1.970 -4.661 17.381 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 -2.806 5.441 -8.979 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 -0.095 -0.281 -0.189 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 -1.458 1.488 21.081 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 0.968 0.088 19.318 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 2.417 5.945 -0.173 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 8.006 -17.416 19.900 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 22.785 4.774 -8.979 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 2.937 5.762 4.842 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 -6.469 4.740 -5.647 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 4.109 13.784 -5.032 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 0.134 2.009 -1.288 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 24.539 -4.098 6.604 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 -1.758 29.297 6.729 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 -0.566 -2.020 -3.033 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 40.711 18.959 -17.949 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 3.484 10.154 12.232 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 3.601 -2.476 3.632 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 5.754 2.836 6.217 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 15.328 3.263 -3.152 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 2.124 1.349 5.830 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 15.867 -7.105 3.412 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 2.091 20.855 3.298 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 -3.376 1.012 2.836 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 -26.168 -18.896 10.607 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 -14.736 20.013 -10.963 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 2.182 7.689 4.036 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 -4.837 2.361 1.366 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 11.656 6.242 0.770 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 1.528 3.933 3.145 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 -8.739 -6.037 1.267 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 -20.791 -0.060 10.213 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 0.536 -4.443 1.761 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 11.597 -1.299 7.510 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 3.217 -4.088 7.944 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 -0.185 -4.130 -3.654 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 -13.645 -4.990 -10.167 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 10.744 -9.761 -3.029 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 7.540 -2.875 6.960 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 13.486 -0.733 -6.128 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 12.496 -2.274 -6.375 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 -0.947 0.664 -0.812 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 38.696 -18.161 -4.192 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 -7.167 2.888 -1.081 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 -0.931 6.796 -0.947 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 -4.072 -3.868 -1.736 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 14.512 14.344 3.921 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 -3.593 5.588 0.275 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 0.502 -10.018 -9.802 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 15.626 6.981 0.998 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 1.122 5.450 6.851 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 9.884 0.116 22.062 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 -8.158 23.943 -7.027 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 1.442 -0.533 2.358 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 10.631 -10.435 21.811 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 -10.448 -0.979 8.992 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 2.900 -1.435 -1.003 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 -2.741 -26.631 -13.333 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 5.357 14.119 6.858 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 -5.423 0.928 -1.958 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 -8.705 3.893 3.620 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 -4.691 0.416 -3.488 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 -3.801 0.858 6.437 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 -11.762 -19.730 18.214 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 -23.228 1.037 -11.637 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 0.639 3.985 0.012 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 5.446 -0.663 2.286 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 2.215 -2.093 12.393 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 -1.285 4.347 3.645 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 3.900 4.115 9.650 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 14.136 17.430 -1.841 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 6.485 5.638 1.392 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 -7.204 21.201 -5.957 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 -2.172 18.193 -4.658 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 -3.884 -3.929 4.119 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 -1.188 -12.652 2.887 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 4.718 0.400 -3.484 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 5.778 -8.026 -1.141 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 -11.222 -17.862 -10.809 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 7.150 -13.768 -1.915 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 -1.186 -3.325 3.148 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 -7.337 -0.658 -7.175 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 -13.981 9.628 -1.865 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 0.449 3.020 6.064 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 -4.921 -0.674 8.546 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 7.907 9.437 1.718 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 -1.209 -3.813 2.030 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 -1.081 -1.361 5.509 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 -2.462 -0.637 5.699 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 -4.264 0.257 3.163 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 -4.890 3.819 -2.067 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 -3.765 -7.692 12.222 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 -3.303 1.178 6.667 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 2.575 -5.408 5.042 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 4.689 10.461 -0.764 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 3.982 -3.078 1.441 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 -0.028 4.435 0.350 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 6.089 -10.878 0.092 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 -1.780 -0.278 -4.640 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 -4.890 6.889 -5.972 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 -7.020 -0.046 28.959 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 0.110 1.339 -5.062 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 0.216 10.434 -6.191 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 -0.220 -1.579 -5.240 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 -9.325 -2.086 2.886 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 -19.467 -16.597 -14.696 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 -8.233 13.432 -9.754 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 5.686 -3.371 5.239 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 5.406 -3.122 -25.888 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 -11.990 18.064 3.965 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 -2.400 -2.288 0.536 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 -13.265 -11.534 10.809 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 3.457 0.766 -8.485 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 0.530 3.169 -3.414 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 -1.474 -2.312 5.525 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 -3.116 13.946 -3.443 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 0.250 -3.891 -1.038 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 -5.969 -19.684 5.727 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 5.307 1.430 9.473 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 0.287 -1.967 4.048 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 -0.179 -8.411 -0.474 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 3.648 -8.880 -3.097 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 5.940 -1.692 0.576 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 40.856 -7.730 0.953 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 -9.187 4.083 0.261 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 -2.010 3.224 2.693 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 -4.249 -9.402 11.811 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 -0.920 4.404 5.636 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 -4.250 -2.810 4.784 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 -0.508 -7.229 13.235 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 2.433 1.001 0.066 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 0.460 -0.316 -4.804 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 9.883 12.121 18.216 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 29.371 12.030 -11.590 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 -0.468 0.500 2.135 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 -2.676 4.203 -0.083 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 -0.530 4.622 4.359 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 0.279 -3.655 -2.530 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 -10.432 -4.936 -9.618 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 1.341 8.843 -2.806 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 7.079 0.107 0.431 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 9.357 7.273 5.337 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 4.265 -9.180 -5.354 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 3.807 -2.649 -6.542 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 24.162 10.708 3.233 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 -1.504 -17.985 9.193 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 3.014 -7.270 3.867 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 1.499 -5.247 11.720 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 13.083 3.709 -4.107 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 2.967 -0.998 -3.181 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 -9.430 2.322 5.107 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 27.697 -2.624 -13.940 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 5.061 5.521 -1.057 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 11.608 19.004 3.923 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 6.268 -8.786 1.879 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 2.299 -4.515 3.241 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 -17.719 -3.986 -8.588 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 -4.955 -1.088 9.963 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 -1.217 -4.358 -3.562 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 0.765 -4.181 -1.968 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 24.462 -16.904 18.402 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 -11.473 -2.333 3.952 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 -30.481 -16.475 -16.836 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 -10.084 -3.798 3.190 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 -0.197 -4.053 1.765 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 0.953 -5.615 4.715 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 -11.196 0.112 -0.276 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 -3.972 0.230 7.302 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 15.286 -13.686 3.838 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 -9.280 8.380 6.400 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 -0.297 -4.057 0.861 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 -0.017 -1.704 -1.250 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 -3.608 -6.324 3.057 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 -0.167 -3.308 2.206 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 -2.584 -3.495 -10.050 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 -12.846 0.915 0.398 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 4.902 1.652 -3.981 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 -6.975 8.152 1.687 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 5.333 -3.581 -2.906 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 2.702 5.116 -3.845 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 -14.709 13.386 -3.566 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 -0.778 -8.111 -4.773 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 -4.901 -2.925 2.771 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 -22.262 -10.671 -10.609 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 11.952 -1.091 -12.155 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 4.600 2.872 -1.010 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 -10.565 -16.355 -8.472 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 -8.106 -11.545 1.349 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 2.608 -2.689 1.399 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 -5.533 -17.066 0.288 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 14.066 -5.264 -7.448 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 -1.609 5.414 3.042 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 15.222 -7.893 13.583 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 3.321 7.163 1.116 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 3.451 -10.307 3.282 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 1.245 -11.151 3.186 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 2.611 -10.912 6.943 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 5.519 -1.234 0.536 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 4.948 -2.464 1.277 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 0.418 -0.287 13.156 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 -7.865 -3.066 0.729 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 -4.989 -2.804 16.685 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 9.631 18.652 2.532 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 -3.564 0.394 -5.303 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 -5.635 -4.936 -8.106 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 1.213 0.485 -4.968 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 -1.620 -3.726 0.745 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 -13.605 7.676 -7.063 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 0.407 5.744 -1.834 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 1.431 6.264 0.739 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 -17.342 -4.835 -7.069 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 -4.266 -17.961 9.018 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 -3.495 -1.091 -1.651 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 -8.923 -22.239 11.011 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 0.580 -8.802 -25.411 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 5.093 0.499 5.719 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 19.043 36.063 -14.144 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 -16.938 -5.553 5.214 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 3.171 6.978 -0.519 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 18.693 -7.065 -9.663 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 -2.267 -8.350 -17.779 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 -0.476 1.267 1.805 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 -38.580 -19.311 14.744 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 9.456 -4.636 -24.131 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 -6.516 1.440 -0.353 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 -5.117 -4.438 5.564 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 -4.585 -6.436 -2.170 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 1.788 -2.503 -5.339 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 5.035 -4.798 -2.362 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 -15.305 3.370 4.417 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 -2.406 -0.619 -3.129 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 0.643 -13.986 -13.219 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 -2.242 9.674 8.682 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 -4.305 -2.648 -2.026 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 -3.099 -18.172 0.336 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 14.805 -1.579 23.559 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 0.706 4.200 5.606 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 31.874 -8.297 -6.193 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 12.125 -11.597 11.874 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 7.396 0.659 3.731 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 -15.774 16.613 23.405 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 1.175 -2.910 -11.914 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 -0.548 -4.795 -1.786 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 -4.869 -9.346 -28.367 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 13.015 -15.483 12.077 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 -5.909 7.011 8.784 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 -1.169 18.937 24.214 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 -10.975 11.121 -7.018 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 6.406 -3.915 -1.699 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 -7.541 13.508 7.753 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 17.062 -23.711 -25.236 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 1.026 -0.493 0.596 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 15.758 0.872 -30.009 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 16.342 24.502 18.498 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 -0.312 -7.812 2.703 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 1.781 -8.981 -0.526 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 7.454 6.778 20.381 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 -3.830 5.696 -4.997 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 -13.019 -5.273 -8.626 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 -3.829 11.205 4.250 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 -9.961 -3.923 6.869 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 -1.349 -3.141 14.768 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 -22.616 -1.110 -2.067 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 -0.584 8.920 -6.213 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 -7.132 0.431 -13.607 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 6.247 -0.613 -5.098 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 -3.461 6.696 -0.592 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 -13.918 -7.568 -4.503 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 7.307 -5.685 12.999 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 2.317 6.544 -14.951 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 3.348 3.739 -14.463 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 11.785 -0.757 -0.194 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 0.262 3.851 2.051 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 -0.078 -13.598 -7.758 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 1.258 -4.613 2.334 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 0.554 -0.868 -1.082 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 -11.099 -23.097 -14.912 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 13.851 33.292 -4.539 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 6.424 7.543 -1.904 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 37.660 15.201 11.259 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 13.584 -2.390 -4.303 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 -0.402 6.351 -5.822 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 1.245 7.455 -1.647 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 0.426 -26.500 9.252 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 -2.661 -3.872 1.763 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 -5.331 3.017 1.113 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 5.455 4.423 6.905 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 -1.772 1.049 -1.937 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 8.978 -1.735 0.435 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 -7.153 -1.773 -11.432 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 0.538 4.173 -2.335 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 -0.443 9.296 1.149 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 -4.976 -19.068 -0.653 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 -5.120 -3.301 -5.534 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 2.042 9.769 11.356 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 3.052 -3.101 2.479 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 -5.840 -2.296 -2.003 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 0.529 21.041 -5.238 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 -4.338 34.439 0.863 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 3.364 1.265 2.569 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 2.702 -17.992 -6.433 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 -22.962 5.111 -18.851 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 2.786 -5.628 -6.361 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 4.228 -16.102 22.513 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 -20.315 -11.086 -4.773 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 -2.048 -3.540 0.013 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 -1.931 0.793 26.984 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 -23.584 -13.552 -9.648 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 0.648 -1.805 2.333 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 2.638 -1.160 3.916 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 -7.645 11.552 22.007 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 7.332 -0.132 -1.645 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 12.965 0.518 -3.116 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 10.181 -3.158 -1.976 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 -7.162 -0.932 2.253 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 8.366 7.209 10.880 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 4.729 -22.608 24.968 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 5.338 0.457 -4.821 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 22.526 -12.503 -2.267 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 -8.029 6.844 -3.157 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 -3.514 0.964 6.379 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 -14.589 34.623 2.060 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 -1.860 23.848 22.091 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 -6.322 2.487 0.320 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 -21.801 -8.972 -0.548 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 3.959 -6.103 -0.586 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 -0.191 -2.115 6.855 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 -11.601 -2.307 -6.797 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 16.458 9.605 -6.364 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 -5.383 9.254 0.484 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 -12.749 16.326 -2.640 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 3.986 6.339 1.274 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 -4.938 1.701 3.259 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 -23.542 -4.955 -0.775 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 27.413 -4.332 5.907 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 -5.368 -0.897 4.849 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 -9.992 -5.716 5.364 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 -4.639 -0.509 3.796 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 0.248 -2.744 0.295 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 1.428 -4.719 1.098 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 -19.618 0.012 1.564 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 -0.753 1.200 -0.518 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 18.132 -4.323 7.882 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 23.361 0.628 6.620 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 3.263 1.773 1.058 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 -2.270 1.961 0.086 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 -1.558 -10.307 9.682 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 -8.549 -3.983 4.156 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 22.594 13.774 14.366 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 -39.867 -16.833 -8.387 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 5.084 4.488 -1.997 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 -13.608 25.080 -9.559 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 9.449 -3.885 12.715 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 1.436 4.546 -1.001 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 -2.728 20.960 -20.104 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 -7.498 8.740 -7.073 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 -4.251 -3.490 2.653 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 -6.616 -14.425 -10.750 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 16.647 6.722 -3.590 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 -3.382 -4.919 -2.551 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 -0.340 2.380 -19.812 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 -5.051 -20.901 -8.516 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 5.432 3.950 0.906 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 5.578 -0.211 12.013 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 0.466 6.551 3.506 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 1.334 1.063 0.977 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 10.794 2.711 -3.408 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 7.290 -4.288 0.602 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 0.131 7.163 -2.608 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 12.234 -21.450 3.741 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 -35.337 8.391 -24.608 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 1.079 -5.217 -1.264 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 -9.665 -1.108 -15.426 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 -0.027 -17.420 18.813 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 -9.042 -2.245 1.506 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 10.718 -14.506 13.880 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 -2.478 -5.089 -5.727 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 -5.230 -2.864 -5.440 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 -17.261 -15.011 -1.008 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 -35.906 2.420 40.301 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 -0.985 -0.896 3.229 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 -15.650 -3.680 33.722 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 -1.453 28.957 -10.038 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 5.521 -2.791 5.466 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 5.527 -3.346 5.348 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 8.464 -3.861 -5.983 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 7.868 -4.538 -3.810 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 -14.425 -7.471 -7.446 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 4.151 11.465 -7.148 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 -6.180 4.972 -2.453 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 -16.153 41.751 -6.779 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 -4.569 -4.485 -2.139 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 -0.493 4.906 -1.205 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 -5.804 11.559 1.577 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 -10.903 20.820 5.443 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 -0.215 3.838 -0.743 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 -18.957 21.336 -3.955 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 11.763 -6.809 0.435 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 0.797 1.125 -3.305 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 -3.931 -0.082 -0.195 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 -4.190 7.988 -5.788 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 -0.963 2.316 -1.058 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 20.204 12.692 30.823 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 2.219 8.742 -10.719 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 2.325 0.287 2.553 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 -15.944 -7.732 15.562 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 1.745 10.955 -20.082 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 8.068 1.255 -2.232 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 11.825 9.881 16.392 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 20.002 -13.146 20.784 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 0.093 -0.683 -0.387 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 -17.579 9.553 -2.655 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 13.388 8.253 4.720 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 -2.425 -4.720 -4.741 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 -5.560 2.088 -9.304 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 -12.177 -13.480 9.349 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 -5.664 4.898 5.107 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 12.248 -3.709 -11.542 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 -2.413 -12.687 -17.734 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 -1.830 1.948 7.634 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 -10.138 -16.639 -3.237 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 -1.387 18.061 -4.755 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 5.944 3.170 1.600 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 -14.538 16.055 -4.388 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 9.565 -9.639 -9.238 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 -7.548 -3.354 -3.226 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 -7.275 -0.523 10.360 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 -22.181 1.886 -7.495 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 4.893 -2.824 -5.538 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 10.696 -3.218 4.120 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 15.905 5.233 -12.575 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 -3.675 -5.309 -2.396 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 0.636 -9.439 -7.458 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 -4.214 -8.355 -6.691 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 -0.122 0.870 -3.166 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 -2.896 1.438 -2.133 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 6.335 -4.360 -6.220 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 -2.454 1.524 1.785 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 2.012 -0.124 -5.703 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 13.733 5.611 23.264 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 -2.417 -0.048 4.519 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 -3.033 -10.578 -7.801 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 -8.142 17.825 6.043 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 -1.600 0.703 2.724 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 -0.600 -15.812 18.252 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 -6.468 -9.934 -4.824 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 -6.752 1.053 -0.831 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 1.461 13.283 7.856 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 -12.960 -8.749 10.414 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 6.485 -6.387 2.850 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 -4.166 13.880 5.894 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 -3.715 18.708 -2.728 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 -1.780 1.085 3.095 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 -1.892 -7.821 -1.245 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 2.283 -1.000 11.471 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 -6.952 8.531 2.492 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 -5.821 8.232 8.720 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 3.537 6.289 -11.064 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 2.797 -1.694 2.570 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 9.626 3.232 7.491 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 -5.596 -10.104 5.586 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 -5.131 0.811 4.393 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 13.267 -2.936 13.381 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 5.161 2.774 9.100 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 3.707 3.362 7.036 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 13.993 -2.912 -9.534 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 -21.599 27.153 -8.758 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 -4.787 2.183 -2.236 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 0.678 -8.459 -7.677 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 -3.509 0.210 -9.971 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 1.698 3.263 -2.946 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 -3.059 44.161 5.273 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 2.947 -11.229 11.853 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 2.209 0.131 -1.982 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 12.757 -0.132 -6.006 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 5.977 -5.256 -11.812 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 1.454 2.282 -2.012 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 14.341 -12.487 -11.998 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 19.244 -16.345 -21.352 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 0.313 -1.082 2.352 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 11.644 0.434 7.736 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 0.509 7.509 -7.756 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 5.193 0.001 -6.268 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 15.142 -12.437 14.046 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 -8.780 23.967 1.866 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 -1.625 10.127 -7.367 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 -6.804 7.739 5.060 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 -2.201 9.706 -6.395 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 1.578 3.957 -8.732 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 6.859 32.934 1.808 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 12.149 -17.618 11.080 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 -1.382 4.985 -0.126 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 21.235 36.153 -22.716 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 25.818 -23.985 10.777 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 0.156 -3.518 4.562 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 -6.610 23.821 -17.429 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 -1.544 8.342 -5.309 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 4.112 -7.550 -0.955 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 8.352 -19.363 -22.375 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 10.556 16.496 -5.505 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 1.381 4.677 0.874 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 -12.881 9.373 -10.988 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 16.656 -7.975 4.626 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 4.664 2.103 -2.066 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 1.292 5.497 -16.331 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 -6.440 -3.318 -17.858 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 6.181 1.723 2.143 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 -5.191 9.490 -26.129 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 -5.399 -27.608 2.500 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 2.156 5.813 -0.935 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 8.521 17.395 9.141 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 4.668 19.576 -15.213 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 -5.428 1.403 -2.344 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 -49.908 -10.883 -2.753 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 12.535 -21.397 33.060 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 1.501 5.251 -2.897 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 18.893 2.883 7.100 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 6.696 29.562 -0.802 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 -0.146 -1.144 0.895 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 3.285 -0.723 -2.106 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 -6.285 -2.381 9.249 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 -5.379 -2.300 5.317 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 -8.184 -4.712 4.145 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 14.735 8.747 -1.363 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 -3.087 1.233 0.270 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 -2.831 -3.676 9.904 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 -8.389 -1.824 -5.128 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 -0.920 -12.371 1.827 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 0.558 -53.804 1.014 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 19.332 2.110 14.580 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 7.790 2.879 -0.707 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 10.418 2.574 -1.494 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 -9.569 3.357 -2.412 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 7.041 -3.602 -7.835 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 13.576 -13.502 -3.717 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 -3.915 -5.825 2.619 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 4.260 4.217 5.342 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 -7.411 -8.875 -14.875 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 -14.885 -4.732 -5.741 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 -5.846 2.947 -1.124 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 -11.059 1.986 2.298 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 -20.155 -15.531 -10.250 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 6.486 1.526 -0.546 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 -9.284 8.892 -0.249 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 -7.682 5.620 -4.485 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 -1.974 1.390 7.771 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 1.090 -8.344 8.474 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 -1.392 2.123 2.229 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 -2.267 -1.471 2.740 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 3.153 2.020 -8.539 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 6.736 0.051 -7.290 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 3.232 -3.778 2.406 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 -0.959 -4.688 7.250 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 0.896 -0.310 0.880 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 -0.405 4.260 6.595 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 18.406 -1.400 18.792 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 -14.183 8.281 -4.214 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 0.248 -6.214 6.889 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 8.874 -3.523 -6.729 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 4.857 5.296 15.496 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 3.465 -3.170 -2.802 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 -0.361 -11.785 -18.338 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 12.325 -11.336 4.527 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 2.704 -2.277 3.767 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 8.854 15.218 2.682 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 16.993 -34.613 -9.766 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 -0.123 3.756 -1.526 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 9.697 14.063 1.353 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 2.869 -6.028 -8.848 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 2.205 -2.508 -3.617 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 -1.325 2.140 -16.163 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 -4.698 -2.699 -27.109 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 -0.026 -4.858 1.019 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 4.497 -5.910 -15.933 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 6.641 -14.478 -16.329 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 2.091 -3.561 -3.805 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 -0.805 -6.633 -12.316 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 -3.832 3.833 1.739 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 -0.655 -5.036 -1.255 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 -8.706 -4.766 -1.958 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 -3.766 3.879 -1.170 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 -2.149 -1.060 -1.213 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 12.227 -3.922 25.831 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 8.110 1.334 -6.745 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 6.374 0.070 -8.482 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 -18.259 4.792 -11.358 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 3.914 9.012 6.587 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 2.603 -5.420 -1.668 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 -14.280 -10.373 33.655 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 24.343 14.152 5.833 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 -1.786 4.820 -3.709 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 14.617 -35.543 19.447 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 4.494 -16.579 11.269 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 5.823 -5.189 -7.862 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 3.244 -16.031 2.111 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 -20.983 6.032 -16.865 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 -0.303 3.135 4.813 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 -19.821 -1.036 18.871 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 1.125 5.583 -0.290 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 0.911 -2.937 -1.150 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 -1.842 -3.865 -14.965 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 -4.022 4.772 2.041 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 8.090 -1.283 1.678 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 7.959 -1.015 1.408 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 8.807 0.895 -1.645 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 -2.012 5.782 -5.403 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 -4.211 12.416 -6.078 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 2.264 8.319 -16.007 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 -5.270 5.772 1.183 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 -3.794 -0.579 -6.867 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 -5.970 -0.101 -7.072 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 0.967 5.472 6.442 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 -26.280 22.968 -5.797 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 2.582 4.130 3.359 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 -5.751 1.949 -1.214 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 -13.544 -19.537 -6.233 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 -20.010 -1.547 -20.228 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 1.383 0.217 -11.755 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 -15.901 9.441 7.095 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 14.335 -14.937 -2.114 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 1.486 -1.593 -0.170 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 -18.483 -0.331 -11.234 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 -2.489 3.751 -11.935 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 3.860 2.738 4.529 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 -8.435 -3.191 2.439 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 6.177 -4.535 18.340 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 3.429 2.526 6.347 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 17.395 22.501 12.403 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 2.372 6.544 -24.004 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 -0.819 -0.885 1.070 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 14.122 -17.278 -20.994 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 -11.930 6.716 -7.375 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 -0.094 -2.009 -1.126 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 1.644 12.531 -10.837 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 -3.631 -19.048 10.027 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 -1.607 -1.425 4.259 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 5.496 -11.363 -10.454 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 -6.459 -5.407 -7.759 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 -1.322 -4.585 3.307 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 5.475 17.639 16.698 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 0.821 8.397 8.354 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 0.380 -0.053 -0.800 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 8.677 -4.997 9.266 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 4.388 5.030 1.311 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 -7.896 -0.665 6.961 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 36.647 0.540 -4.101 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 17.644 3.679 -1.484 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 -6.396 -3.375 4.710 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 0.385 13.802 -15.512 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 9.880 -19.133 -5.358 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 7.939 0.289 -0.187 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 9.018 34.153 13.783 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 -21.424 -1.036 0.218 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 -0.365 0.367 -0.685 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 -3.084 0.910 4.273 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 -0.259 9.158 0.184 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 0.397 -1.690 -3.216 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 3.195 -1.297 1.687 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 -0.785 -10.664 -2.310 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 4.003 0.666 -4.797 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 -6.881 12.447 -6.439 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 23.952 -11.549 -5.931 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 -3.446 3.645 3.665 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 5.611 22.775 -10.049 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 19.296 -19.547 10.315 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 4.132 0.194 4.151 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 -8.646 -0.641 1.815 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 17.209 0.282 6.281 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 3.697 1.513 0.186 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 9.401 -9.960 18.796 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 22.960 9.689 5.579 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 8.275 2.624 4.784 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 -26.335 8.513 -9.049 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 13.449 19.818 -10.915 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 2.713 6.727 2.941 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 -7.415 22.155 13.266 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 8.823 -8.020 -14.892 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 4.537 1.892 0.352 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 17.505 -3.747 7.100 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 5.239 2.093 7.334 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 5.320 0.129 1.792 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 1.833 -14.790 -5.536 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 7.310 -3.097 -0.069 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 -5.475 -0.429 -3.063 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 -1.663 6.721 -9.114 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 -0.209 9.006 -10.917 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 0.203 1.439 -2.068 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 10.241 0.690 -9.120 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 -12.369 10.185 0.257 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 -0.318 -0.808 2.922 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 -25.194 -12.601 16.621 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 15.968 -0.135 16.045 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 -0.688 -0.264 -2.207 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 5.644 7.917 8.760 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 -18.232 5.723 0.837 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 -1.970 -6.735 -0.994 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 -7.800 4.879 -4.004 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 1.901 -9.251 -0.200 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 5.753 -1.309 -2.646 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 12.119 -22.116 -20.608 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 9.986 -8.547 22.470 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 -1.131 -3.357 2.500 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 -3.541 16.126 3.931 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 -0.526 -10.059 1.748 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 3.431 -0.729 -4.336 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 -6.808 -0.558 14.046 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 -13.778 -0.827 -5.091 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 -3.167 -1.535 -1.656 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 -16.835 -9.196 1.516 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 -1.016 -5.691 -18.295 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 2.426 1.283 -2.899 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 -4.775 -8.086 -12.213 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 15.856 10.330 -8.425 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 -1.328 -2.312 4.709 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 -4.405 13.755 7.642 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 -13.789 -11.919 0.642 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 -10.306 -4.074 0.772 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 9.073 3.800 46.325 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 -8.213 -4.433 2.199 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 -0.895 2.419 2.641 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 -0.959 17.881 1.038 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 -0.624 -22.596 5.445 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 3.170 6.052 -1.264 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 -16.369 0.213 4.180 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 15.635 -0.312 0.974 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 6.920 5.620 3.008 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 22.323 -5.544 -16.675 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 1.570 5.027 -10.612 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 -5.398 -6.235 -4.303 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 -1.046 -7.240 -12.648 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 0.906 -1.332 -1.234 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 2.336 -3.221 1.727 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 2.896 16.984 -5.538 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 -20.646 4.337 2.244 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 -1.345 5.382 5.202 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 7.146 -18.432 -11.443 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 1.025 24.211 12.607 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 4.131 3.640 -0.993 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 -13.394 -12.516 -9.430 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 22.789 19.462 3.577 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 2.507 -4.169 2.820 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 0.939 6.928 -0.163 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 13.398 -11.080 -15.696 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 3.782 14.392 6.540 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 -12.088 31.044 10.488 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 34.230 12.625 10.456 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 -2.574 3.777 -1.611 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 -12.333 0.427 -11.297 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 12.111 -7.795 17.303 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 -1.819 -3.285 3.871 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 -20.703 0.819 -1.540 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 2.681 -3.186 13.196 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 -0.937 2.464 1.027 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 6.160 -5.656 -21.682 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 -12.291 -11.828 -4.337 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 1.259 -1.967 2.888 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 3.423 -22.139 -0.527 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 -18.226 -4.183 -2.566 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 6.294 0.775 2.853 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 12.924 25.286 30.103 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 7.458 0.093 25.484 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -2.310 7.728 -2.318 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 -0.030 6.270 15.171 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 -13.387 3.942 -9.503 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 -0.559 1.724 -6.733 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 1.386 1.990 -0.512 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 7.447 4.084 -13.024 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 3.684 1.866 0.314 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 8.047 3.690 3.666 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 -9.219 -12.844 10.965 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 4.322 -5.503 -8.580 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 3.991 -10.565 -14.910 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 5.382 -3.799 -9.515 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 2.016 -5.203 0.060 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 -10.808 -2.811 4.193 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 11.307 -0.859 1.693 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 -0.148 -5.662 -0.893 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 11.775 14.624 0.152 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 -16.263 -7.417 -22.719 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 2.363 3.528 0.186 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 -6.922 -10.392 -8.028 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 4.998 -1.048 -5.317 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 2.371 8.376 2.876 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 -3.482 3.718 9.631 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 -3.113 6.701 -6.832 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 4.142 -3.706 5.042 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 -5.091 -0.630 -9.724 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 -6.360 -11.447 11.151 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 -3.887 -3.504 0.332 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 15.607 1.059 -12.400 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 11.109 -1.798 -9.425 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 1.516 3.105 1.532 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 6.784 5.071 0.141 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 7.026 -2.793 -5.716 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 10.522 -0.175 3.145 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 -9.285 -11.128 6.707 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 9.496 25.885 5.284 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 0.892 -7.164 10.675 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 -9.546 5.054 2.672 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 9.980 15.698 10.083 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 6.622 -3.146 8.215 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 6.075 -3.654 6.846 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 -9.492 -8.781 -13.700 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 0.017 -6.573 -2.488 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 -7.227 23.696 1.130 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 7.840 1.329 -3.500 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 10.165 -1.016 -3.513 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 20.334 -5.810 9.475 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 9.984 -1.851 2.492 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 -1.658 -10.088 5.622 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 0.283 -16.410 -15.285 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 0.200 -7.090 14.758 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 -5.664 1.274 3.056 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 -9.879 0.986 3.985 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 -8.870 0.966 13.817 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 -1.142 -2.084 -0.349 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 14.642 -22.620 -5.609 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 -4.916 13.417 6.009 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 2.542 -3.777 -4.343 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 6.720 10.610 -25.432 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 -2.332 -21.493 -20.241 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 0.710 -3.101 -0.200 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 -14.105 -21.360 1.890 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 -1.294 18.166 -26.030 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 0.932 3.304 -7.082 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 6.442 14.361 3.718 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 -11.146 1.933 13.593 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 -2.352 1.124 -1.855 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 9.848 17.461 0.660 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 -24.274 -28.087 -3.827 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 -3.849 2.514 -5.414 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 -12.068 20.633 3.555 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 -5.473 7.113 -8.817 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 0.934 5.886 4.541 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 -1.754 -9.332 -3.610 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 -1.214 -16.891 -9.681 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 -0.208 1.718 3.241 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 1.940 6.665 3.696 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 -3.902 -3.500 0.626 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 2.548 7.547 -3.028 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 0.692 11.490 -0.536 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 21.709 -17.845 -1.575 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 5.912 -0.704 4.086 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 8.962 2.569 -11.304 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 27.557 5.732 10.711 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 2.508 -2.604 3.340 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 -4.681 -16.637 -11.590 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 -5.333 -7.518 18.441 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 -0.703 5.875 1.113 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 -7.106 9.054 -20.510 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 4.260 6.895 -32.201 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 -1.347 3.828 -1.838 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 17.780 18.728 -1.390 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 -13.703 -0.963 -18.171 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 0.159 -2.956 3.335 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 -1.681 12.081 -20.573 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 0.274 -4.403 6.219 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 9.142 2.448 1.040 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 -3.693 -5.621 22.885 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 -1.096 -17.573 -15.924 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 -0.016 2.755 -2.680 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 2.666 9.249 -1.165 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 2.013 7.403 -0.499 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 -1.594 -1.219 -0.811 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 10.889 7.715 20.630 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 -3.366 -4.659 15.733 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 8.506 3.072 6.736 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 19.957 9.240 9.148 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 5.943 6.233 -8.331 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 8.535 -3.230 -7.688 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 10.930 7.284 -5.324 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 1.202 -3.301 -5.894 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 3.523 5.970 5.559 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 -0.047 -6.373 -12.010 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 -13.218 3.747 22.452 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 0.464 5.918 -0.324 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 2.454 8.774 -4.011 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 0.101 7.459 -8.575 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 2.381 -4.187 -3.943 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 2.739 -14.267 14.439 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 1.021 -2.165 -10.973 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 5.431 -1.897 -1.821 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 3.531 -2.046 -3.754 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 0.542 18.897 -9.196 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 6.998 -3.860 -1.059 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 4.644 -19.483 -0.973 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 11.526 -13.819 11.699 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 4.872 5.174 -0.606 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 2.250 2.963 1.799 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 -14.392 -19.770 -25.500 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 -0.493 -1.329 9.184 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 -18.521 -28.224 19.459 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 7.015 -19.469 -0.215 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 5.675 2.404 7.526 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 5.432 4.255 -40.679 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 10.850 8.760 13.149 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 -1.659 0.829 -4.892 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 -5.244 -16.875 -11.577 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 -1.044 -0.599 11.591 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 3.240 2.728 -1.198 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 -9.504 2.404 10.262 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 27.173 -15.561 0.265 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 -4.995 0.528 -1.332 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 -0.369 -1.833 -5.073 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 -1.383 -1.032 -3.014 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 -2.862 -0.010 -5.594 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 14.209 2.773 -8.635 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 -33.926 -6.627 0.958 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 6.794 0.491 1.737 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 -13.125 -11.732 -25.988 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 10.862 8.411 -5.936 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 3.162 1.102 -7.640 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 22.725 13.147 2.649 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 9.968 11.954 -7.589 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 -1.081 -0.419 -3.507 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 -17.331 11.073 14.922 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 15.316 -19.928 -30.301 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 0.839 2.747 11.728 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 -7.398 7.669 15.090 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 2.247 -43.121 -9.547 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 1.960 -0.785 -0.992 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 1.822 -1.112 -1.409 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 -19.910 -2.061 1.467 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 2.059 0.692 0.657 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 20.792 0.636 25.299 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 11.956 -20.061 -14.681 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 4.568 -7.165 -6.697 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 -2.996 -18.514 -7.593 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 -6.047 5.094 -10.847 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 -1.594 -0.028 -6.106 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 11.293 27.734 -11.963 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 -16.043 1.858 -0.395 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 8.098 -0.784 -0.009 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 13.222 -9.863 -9.438 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 13.289 -12.509 17.236 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 1.323 -0.918 -5.469 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 -0.006 3.601 -8.587 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 15.767 2.968 3.852 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 -0.637 -8.051 -2.271 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 -18.165 -3.885 -4.584 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 -5.277 -8.791 -0.006 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 4.330 3.834 -1.633 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 0.542 19.481 1.645 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 4.841 31.354 27.444 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 6.405 -1.000 -3.308 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 8.853 1.142 -5.612 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 22.273 6.311 -14.445 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 6.944 8.691 0.676 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 10.886 13.948 0.882 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 9.122 5.497 0.594 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 -10.788 -1.156 -1.251 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 -3.704 -13.558 -0.947 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 -6.885 22.406 14.747 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 3.556 0.447 -6.848 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 10.665 -10.715 14.016 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 8.328 -0.692 -6.164 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 7.261 0.704 -1.514 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 14.280 -19.648 -2.209 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 -11.421 3.208 1.208 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 2.637 -3.091 -0.148 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 -17.674 21.562 10.759 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 -10.367 6.344 11.151 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 2.123 1.049 4.661 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 -2.035 -7.117 17.129 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 -9.834 -6.674 -12.119 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 -4.223 1.255 -1.074 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 -12.335 5.593 9.752 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 -9.774 0.016 -1.187 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 -0.757 6.158 0.869 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 8.357 2.411 13.670 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 -0.533 2.851 0.970 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 2.360 2.096 -3.010 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 23.783 -11.131 11.616 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 -16.849 23.970 -2.204 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 2.713 0.818 4.705 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 3.518 -3.274 10.692 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 4.529 -8.542 9.970 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 3.362 -3.365 2.657 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 -14.418 -9.405 -4.522 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 -2.642 11.719 17.056 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 2.074 -0.369 3.001 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 10.887 7.470 -4.424 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 10.301 -13.744 14.713 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 -3.170 3.327 -4.917 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 4.393 -5.114 -12.842 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 -9.642 13.037 5.251 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 5.556 -5.071 -0.486 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 -7.744 -10.504 27.175 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 -18.365 0.092 0.157 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 -0.109 2.221 3.502 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 7.210 -16.953 6.981 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 4.980 1.234 -0.178 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 -0.127 0.542 -5.493 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 27.683 14.205 -3.974 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 19.351 17.017 -6.991 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 -1.859 1.308 1.187 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 3.672 1.552 -6.335 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 -2.713 11.327 -5.683 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 1.419 -3.842 4.664 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 1.160 14.928 18.053 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 -5.887 -1.843 26.096 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 -2.442 -5.650 2.427 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 -19.118 -1.985 7.783 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 8.713 -23.120 -16.233 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 0.800 -0.396 -0.328 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 -16.912 12.266 -2.241 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 17.568 1.114 -7.963 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 -1.702 6.742 -1.135 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 -8.027 29.613 -8.483 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 -12.997 48.093 -15.553 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 -2.172 -1.879 0.330 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 3.682 -10.869 -8.674 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 3.437 -10.185 -7.682 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 -3.843 -3.802 -3.890 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 -6.692 35.918 -10.590 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 -1.869 22.059 -3.599 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 -2.745 -0.502 -4.297 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 13.240 -3.422 -1.367 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 19.716 -2.363 -2.381 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 0.483 2.849 -0.171 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 13.375 -7.818 7.187 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 6.803 6.908 -6.059 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 1.104 0.939 5.659 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 -9.582 -8.675 5.851 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 -1.002 -1.577 7.837 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 -1.550 -0.084 -3.015 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 -14.066 -6.423 4.471 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 -4.486 -11.585 12.718 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 -3.627 -6.787 2.067 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 -15.781 0.835 -10.106 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 -10.280 -25.067 6.308 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 0.990 -2.775 2.304 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 8.189 -19.735 -15.924 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 -9.860 12.531 -11.119 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 0.253 8.621 -1.568 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 -22.493 1.921 -10.977 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 15.075 -13.479 3.683 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 4.033 4.862 2.113 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 4.880 2.861 -4.995 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 15.731 -18.446 -3.741 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 5.011 -1.715 -1.793 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 2.274 -2.785 -1.840 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 5.741 -3.266 -2.771 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 0.017 1.431 9.340 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 2.417 -6.095 10.679 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 -16.404 -1.592 -1.636 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 1.522 3.733 -1.463 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 -4.466 -5.219 27.562 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 10.778 -28.285 -14.482 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 -0.934 4.697 -4.413 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 20.565 3.954 20.395 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 -21.797 5.026 7.893 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 -4.393 0.561 4.561 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 7.114 0.645 6.829 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 -7.373 2.720 1.296 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 11.662 2.716 7.079 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 -3.884 13.015 13.813 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 38.003 0.553 -12.182 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 7.592 2.319 7.220 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 -4.390 -5.724 -12.291 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 -1.952 10.565 9.821 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 0.706 -1.540 3.771 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 -4.874 -7.468 35.418 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 4.068 12.357 -11.989 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 0.904 2.015 -0.686 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 -8.965 7.975 16.849 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 -16.032 -3.461 -23.363 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 2.698 3.557 5.070 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 1.069 -1.677 -4.913 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 16.886 7.742 4.876 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 -2.613 1.905 3.601 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 -26.155 16.635 12.803 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 -4.894 -4.298 -16.646 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 -5.735 3.070 4.085 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 -2.514 1.621 -5.045 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 -9.466 9.705 -20.379 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 -6.932 -1.223 -5.751 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 -20.435 -18.321 0.733 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 -8.935 5.332 -4.963 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 -1.649 -0.283 -5.335 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 -7.357 5.012 3.455 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 0.590 13.344 1.723 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 -0.817 -2.620 -3.847 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 -0.367 12.367 17.662 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 -9.731 20.015 19.673 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 -3.618 3.986 0.776 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 -12.024 -20.520 27.380 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 15.751 18.026 -24.086 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 -7.650 -8.724 -6.484 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 -20.694 -5.164 -1.176 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 -8.195 -4.387 -12.739 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 3.854 8.275 3.303 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 -6.208 2.835 5.730 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 -29.604 -16.203 -29.379 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 4.807 6.211 -0.515 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 12.220 7.058 -0.916 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 -19.533 -32.089 1.049 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 -4.633 3.102 2.688 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 -5.031 6.167 3.049 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 -5.201 4.878 2.946 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 -0.133 3.727 6.694 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 13.772 9.769 -8.451 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 2.032 2.845 6.588 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 1.706 2.863 -3.654 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 -10.834 -6.109 2.926 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 -19.477 -1.231 13.505 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 5.781 -4.003 -4.468 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 8.767 -6.293 -3.346 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 23.450 -24.823 3.104 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 -6.084 -3.400 -1.147 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 -5.582 15.036 -14.657 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 -10.287 -3.538 -0.987 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 -4.974 -5.865 -1.924 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 9.462 17.909 15.320 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 -5.592 -17.116 -5.380 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 0.709 0.401 -1.363 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 -0.349 -2.607 -1.093 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 -16.778 -26.512 -1.697 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 -1.153 -0.369 3.235 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 -12.976 -6.832 -0.786 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 -16.253 -7.498 -2.178 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 -4.407 -3.263 0.082 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 7.975 1.383 5.761 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 -2.248 7.084 -6.830 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 -4.527 1.507 6.099 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 -3.155 1.794 -14.083 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 -14.295 26.640 19.774 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 1.253 7.736 5.971 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 1.706 -11.607 6.181 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 -5.282 26.355 -3.874 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 2.192 2.636 -3.380 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 9.744 -7.205 18.019 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 -24.192 0.405 -0.405 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 2.746 2.924 4.623 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 18.369 -8.126 4.196 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 7.487 -2.958 1.766 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 1.724 -2.546 -0.236 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 7.429 -4.098 23.662 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 0.803 -4.430 -0.920 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 1.540 -1.043 4.125 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 15.395 -10.355 3.430 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 -19.637 2.293 7.903 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 -0.357 -2.925 1.434 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 19.920 3.730 1.065 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 -12.721 -4.317 -0.586 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 0.764 -3.046 -0.612 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 5.487 -2.943 1.667 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 1.799 -3.286 -6.691 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 -0.935 -3.374 -6.166 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 -3.336 -2.466 -10.849 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 -0.322 -14.733 -3.689 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 -3.577 -3.491 3.203 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 3.129 -0.572 -5.891 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 24.886 9.571 0.419 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 -6.603 1.038 -0.065 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 -3.096 1.239 4.400 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 -10.112 -1.625 11.474 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 -3.897 0.571 -3.402 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 38.684 2.868 2.876 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 -31.021 -2.805 -13.454 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 0.748 -2.485 -1.238 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 -4.778 1.859 -7.355 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 3.732 5.032 -2.544 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 6.706 -1.240 1.622 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 3.878 3.559 0.382 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 -7.473 -6.898 -1.007 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 -0.981 4.525 -5.812 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 22.240 8.368 -21.674 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 -17.271 -17.863 -21.344 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 5.393 0.212 -0.288 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 2.015 -4.492 7.290 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 5.803 2.485 -3.530 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 -1.611 7.120 -9.023 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 15.152 11.153 -26.889 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 -9.017 -14.239 -6.774 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 -2.552 4.056 -4.439 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 6.216 -3.166 -5.500 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 12.718 -4.698 -5.485 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 2.576 4.675 2.403 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 -8.423 -9.538 -10.382 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 10.518 6.797 -5.919 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 1.887 -2.140 1.057 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 13.728 -6.108 -5.780 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 14.123 -6.506 -7.780 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 3.127 6.196 -2.297 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 -6.894 2.318 11.536 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 -0.978 18.742 -12.903 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 -1.656 4.955 -1.859 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 -18.099 4.033 9.295 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 2.785 -1.050 2.815 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 -1.795 -2.054 1.988 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 -15.729 -18.673 -4.503 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 1.194 -6.117 20.016 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 -5.650 3.732 3.215 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 10.331 -1.140 21.363 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 -2.411 9.738 15.107 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 0.127 7.835 5.189 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 -0.600 5.534 3.713 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 -8.537 -7.208 -20.431 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 0.605 -0.241 4.317 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 -8.575 14.180 -6.786 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 26.766 14.345 -0.917 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 7.299 0.686 -2.629 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 2.547 10.349 -19.206 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 23.145 9.987 -1.629 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 -2.401 -0.953 -1.561 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 1.853 10.796 -18.488 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 -0.874 4.017 -8.215 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 -1.038 -0.568 -0.254 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 -2.341 25.652 -20.548 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 -1.527 11.819 -10.036 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 -1.566 2.931 2.356 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 -3.886 -5.214 2.942 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 1.964 -7.418 3.125 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 -0.881 6.098 -2.369 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 -4.702 -8.571 -2.635 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 2.553 -5.006 -18.730 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 -0.671 -3.879 9.759 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 7.584 8.063 22.239 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 -4.859 -15.883 6.154 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 -0.557 -3.869 -7.594 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 7.254 -21.326 -19.740 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 -6.490 23.754 8.827 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 3.499 1.395 -1.153 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 22.002 9.737 0.882 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 3.657 -1.099 3.482 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 -1.125 -2.026 0.941 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 -1.353 -2.614 -1.701 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 40.208 -15.248 -8.210 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 -2.978 -1.443 2.010 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 -8.023 1.925 12.291 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 2.170 3.256 -2.578 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 -6.543 6.238 -3.968 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 -3.866 -6.220 6.370 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 7.467 19.884 8.031 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 -0.250 2.659 -2.302 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 1.336 14.990 13.644 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 -21.157 13.688 -8.915 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 7.967 -4.397 -4.189 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 4.284 -1.222 -6.571 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 8.832 2.245 -0.534 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 -0.590 1.535 1.938 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 1.740 -19.625 -0.439 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 18.061 6.657 6.855 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 13.925 6.607 0.293 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 12.003 14.439 13.905 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 -9.983 9.717 -25.139 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 2.492 -8.897 -1.385 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 -7.105 -23.913 -30.306 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 9.692 -6.909 11.666 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 7.623 5.175 0.689 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 15.071 -6.382 -19.069 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 -19.793 10.429 1.366 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 -1.293 2.579 -3.235 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 -1.717 -34.462 2.996 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 9.194 27.054 23.446 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 1.184 -0.148 -0.517 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 2.310 -1.918 2.730 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 0.509 3.682 -3.813 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 -1.816 -2.830 -2.736 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 -6.489 8.193 -3.971 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 -16.237 1.220 -0.197 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 -4.439 -1.511 -0.224 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 12.921 15.244 -10.610 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 7.263 -12.700 18.822 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 3.136 -2.856 -5.758 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 1.162 16.859 -0.541 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 -1.171 -23.972 3.304 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 -11.660 -3.362 -8.374 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 -6.718 -2.532 24.951 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 -22.244 -8.604 -13.960 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 3.360 -5.010 -0.799 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 3.217 -5.262 -13.255 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 -15.673 -31.857 24.064 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 -3.880 2.162 6.403 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 6.201 -4.075 -4.603 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 -4.706 -16.228 -2.750 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 -1.279 1.252 1.248 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 -18.063 18.586 -3.508 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 -27.322 -13.510 11.293 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 -6.512 8.004 -7.138 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 16.068 10.655 -8.876 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 -14.605 4.972 11.910 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 1.493 1.912 -5.329 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 9.250 4.034 -13.541 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 -0.117 1.746 18.428 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 4.303 3.033 7.587 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 14.482 8.512 12.059 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 -22.060 27.422 15.646 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 3.109 3.885 -0.200 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 9.033 -0.159 -0.093 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 3.614 6.966 -3.149 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 2.726 5.440 -1.808 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 7.672 -10.700 -15.296 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 7.986 3.855 13.792 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 -2.561 0.217 -1.680 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 0.458 19.592 -3.665 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 6.096 -6.014 -19.312 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 -0.981 1.838 -3.775 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 -5.017 8.225 -8.112 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 3.910 7.504 -1.750 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 6.605 1.023 7.124 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 2.565 -1.552 20.574 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 -5.949 -21.448 -0.749 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 3.569 -1.765 -0.923 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 0.442 20.976 -2.519 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 -12.715 1.618 -10.343 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 -1.617 -3.452 0.840 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 15.683 -5.384 9.325 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 -11.059 -3.802 -0.924 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 2.120 -5.880 2.533 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 0.963 -24.985 3.980 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 14.733 -0.379 7.227 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 2.861 0.815 0.445 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 1.926 29.023 -1.771 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 1.590 33.268 -1.964 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 0.231 6.824 2.099 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 -4.391 -10.341 -7.897 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 19.592 16.678 -19.205 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 -8.728 2.851 -3.177 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 -9.845 5.705 -8.493 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 -6.085 -19.241 -0.321 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 -1.064 -4.301 -0.682 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 26.731 -3.245 -17.370 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 9.759 -3.871 -7.120 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 5.324 0.667 1.654 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 10.582 19.682 20.380 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 -12.564 12.054 15.430 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 -4.768 -2.191 2.111 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 6.676 -17.664 -10.683 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 -7.998 -3.316 19.035 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 7.203 5.975 -0.667 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 -27.785 1.324 -16.016 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 12.119 -1.723 23.725 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 2.265 1.229 5.174 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 26.512 18.131 1.775 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 1.268 0.703 0.810 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 -9.276 -0.820 6.247 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 -26.835 21.371 10.747 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 3.249 -17.492 -11.566 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 -0.707 -5.741 0.733 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 1.845 -15.220 0.606 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 24.701 -4.620 6.435 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 -5.776 -0.252 -1.675 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 -6.520 11.473 5.145 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 -9.159 -9.493 -12.708 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 -3.786 0.165 -0.794 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 -3.383 19.699 0.902 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 -7.372 5.836 -0.043 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 -1.414 -1.745 6.332 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 -3.300 2.057 2.001 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 -6.501 13.187 -7.751 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 2.381 3.914 0.454 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 -2.232 2.289 9.765 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 -11.177 26.292 -15.350 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 -0.174 -0.987 -1.651 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 -0.545 -6.919 13.544 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 -10.022 1.777 2.271 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 5.077 -0.306 -0.203 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 8.233 -4.500 2.575 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 8.482 -4.280 2.971 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 5.048 -1.028 -1.918 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 15.222 -13.032 2.175 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 6.419 -2.779 -1.565 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 3.550 -1.644 -0.010 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 22.978 20.443 -17.172 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 1.648 -0.781 3.721 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 -3.629 0.928 2.937 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 32.149 -15.176 -25.148 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 -3.833 7.315 19.385 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 8.243 -0.103 -0.642 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 -4.677 -21.077 9.750 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 -3.506 -12.039 6.615 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 -2.509 1.098 2.179 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 10.265 -6.786 -10.488 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 -8.596 -8.894 7.624 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 -1.487 -1.540 1.768 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 -19.360 -6.313 2.391 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 -0.897 -13.081 11.725 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 -0.261 3.688 -6.102 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 7.423 -3.177 0.771 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 -14.378 -5.600 -17.333 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 1.306 6.759 -3.720 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 6.313 12.439 -6.786 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 2.802 11.599 -19.132 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 -8.170 -3.280 1.900 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 -15.053 -10.302 25.532 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 -25.110 -13.596 -13.366 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 1.104 -1.814 -1.139 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 6.822 4.357 -1.291 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 -1.342 3.258 2.954 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 -6.943 1.211 8.811 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 -8.623 0.607 -11.113 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 3.682 -10.149 17.349 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 -0.964 -5.843 -3.821 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 -2.979 -2.924 -3.311 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 3.433 -8.202 3.656 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 -2.075 -7.576 -4.977 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 3.633 31.450 1.128 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 -0.503 4.661 0.228 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 0.028 5.476 1.301 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 2.941 4.087 16.877 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 10.100 -14.419 -10.973 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 1.984 0.555 -5.594 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 3.325 -4.473 0.257 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 9.064 5.125 -7.440 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 1.597 -4.072 4.120 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 -0.826 -6.417 8.838 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 -17.260 -11.645 -1.222 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 -0.360 1.220 4.322 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 -4.542 7.808 2.693 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 5.790 -26.580 11.205 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 -5.449 -5.536 -1.335 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 9.173 -25.094 23.348 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 10.040 -13.794 -7.298 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 0.324 4.556 -2.898 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 -2.454 12.154 -4.036 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 5.545 0.023 -5.639 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 5.836 -0.525 4.433 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 -0.633 18.962 -10.197 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 19.811 17.208 1.528 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 -2.383 -1.315 -1.426 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 -5.709 -21.085 -3.673 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 5.787 -19.153 -2.543 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 -1.923 -11.974 6.460 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 -8.197 -5.002 -8.371 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 3.116 7.519 29.976 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 6.838 0.896 2.586 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 -1.786 -0.556 26.730 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 1.819 3.797 -2.584 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 -0.071 -1.397 -0.845 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 2.125 -4.108 -6.305 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 0.366 -1.146 0.629 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 0.725 -2.360 4.909 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 1.264 -26.694 15.845 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 6.890 -9.626 -20.419 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 -1.133 -0.718 7.599 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 -9.029 -10.905 11.483 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 -8.980 -16.519 12.511 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 -1.603 -0.451 -0.926 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 11.047 -1.823 1.373 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 10.407 19.767 -7.811 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 7.159 3.982 0.520 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 -2.931 20.831 15.551 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 19.982 -8.691 -10.974 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 1.632 6.897 -4.163 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 24.506 8.511 -16.937 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 -5.746 -1.274 13.248 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 3.355 -2.582 -2.380 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 14.963 -8.896 9.705 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 12.393 -9.956 10.856 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 -3.178 -3.104 5.215 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 -15.711 -14.694 11.823 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 -8.471 -9.146 12.492 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 6.170 5.806 1.968 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 4.740 -0.096 4.819 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 13.025 -8.986 -6.441 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 -2.131 -3.578 1.104 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 -8.124 16.603 8.319 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 10.308 2.116 -16.006 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 4.110 7.178 -2.826 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 5.782 0.013 4.680 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 12.564 -8.109 12.836 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 0.727 -2.327 1.662 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 2.220 -1.210 8.434 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 -0.170 3.873 -0.450 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 -3.074 -0.751 -6.017 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 4.408 17.708 -24.268 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 -0.784 2.935 -8.260 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 8.029 -5.874 -8.442 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 -5.814 -2.523 2.093 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 -2.721 -20.116 0.535 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 6.549 -7.756 2.178 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 4.857 -8.444 -6.164 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 -2.889 -4.043 -26.715 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 4.583 -4.965 4.180 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 15.354 -16.631 25.428 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 11.281 -3.316 -0.382 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 -0.452 -6.901 -6.057 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 -22.156 5.544 15.029 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 1.412 -10.521 -10.886 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 -5.705 1.466 1.604 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 -12.952 26.425 14.397 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 -6.519 -1.277 -1.048 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 0.836 0.525 -2.275 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 -4.184 9.040 5.773 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 -19.433 -2.038 -2.367 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 -0.800 7.359 -0.858 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 -3.072 17.981 2.795 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 -9.157 -0.092 -7.839 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 0.965 -5.173 1.512 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 36.789 -11.290 -9.414 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 -9.226 -11.965 8.549 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 8.108 -1.641 4.432 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 -10.607 -1.560 -12.760 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 15.449 -4.729 -4.379 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 -1.517 -4.055 -4.760 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 -16.222 -11.806 -7.992 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 2.890 -10.164 -18.431 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 -2.422 1.077 -5.469 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 16.500 3.615 1.111 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 11.959 26.277 9.954 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 -0.305 3.528 2.533 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 -3.456 -21.410 10.302 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 -3.892 2.883 -19.553 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 -2.951 -1.149 -2.707 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 14.975 16.146 7.751 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 -5.899 -1.780 -2.234 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 3.691 -1.568 2.368 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 -1.985 2.118 -1.890 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 21.740 5.670 -28.054 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 1.230 2.430 -3.093 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 12.533 -0.681 7.815 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 -8.219 6.553 -10.022 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 -2.708 -1.566 -2.898 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 9.863 -5.785 2.574 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 -5.714 -14.338 -3.603 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 -4.336 -1.290 -3.163 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 4.597 -4.196 -16.146 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 -4.581 -8.401 -13.288 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 1.129 -0.483 0.024 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 -0.366 -4.386 3.789 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 -2.468 1.582 -3.641 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 -0.475 5.372 -1.687 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 7.504 -13.243 -15.541 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 -0.375 4.407 -1.739 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 1.201 0.116 -3.170 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 -13.703 4.838 0.590 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 -1.316 1.572 -3.951 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 -3.693 -5.514 -8.742 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 -7.882 16.699 1.007 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 -11.815 -9.681 9.408 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 6.262 3.508 -2.392 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 9.182 -1.222 16.883 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 -4.256 -12.617 15.869 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 7.680 -7.294 -0.968 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 23.704 0.295 0.061 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 7.238 -8.783 -11.027 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 -5.281 -3.161 -2.264 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 -5.782 -2.728 -0.976 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 -11.534 -4.451 -5.647 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 -2.838 7.354 -6.302 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 0.069 23.355 22.777 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 -12.510 -1.349 -12.980 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 2.744 -1.808 1.383 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 8.830 -4.124 18.393 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 -0.641 3.628 -4.429 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 -1.221 -4.768 3.783 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 -23.559 12.440 2.367 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 0.567 -10.377 3.948 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 -1.367 -0.910 -4.448 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 30.331 20.804 -0.556 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 1.214 2.576 -2.968 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 3.936 3.653 -1.041 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 13.068 4.726 -2.641 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 0.158 1.885 3.631 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 3.821 1.661 -0.543 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 6.964 27.650 3.570 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 14.133 0.431 -14.833 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 2.090 1.438 -4.702 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 9.360 1.985 4.243 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 -12.931 4.365 -10.311 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 2.915 0.748 1.134 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 11.513 -2.070 12.235 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 28.648 9.570 14.785 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 -0.662 3.316 -0.974 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 7.445 3.199 -13.186 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 9.425 4.397 5.885 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 3.605 2.102 0.181 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 -4.823 4.405 -19.425 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 12.680 -2.454 15.330 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 -4.649 -0.172 -2.293 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 -5.569 -1.100 -2.727 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 6.132 19.539 -1.763 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 -2.227 1.844 2.903 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 -25.241 5.027 3.596 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 -3.720 -1.298 7.041 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 -3.076 -0.846 -6.241 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 -8.562 -5.237 -12.693 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 4.896 5.090 3.169 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 -2.239 -1.937 2.209 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 -3.441 2.983 1.516 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 -9.930 -17.215 -17.336 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 3.668 -0.629 9.369 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 -10.158 3.077 4.871 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 -0.366 -17.066 17.796 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 5.257 -2.758 -3.825 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 20.290 3.594 1.881 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 -6.616 -5.264 9.201 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 2.214 0.973 -0.446 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 13.339 12.942 3.140 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 -3.958 21.720 -8.159 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 6.863 8.013 2.233 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 -5.361 -7.385 12.935 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 -0.808 12.352 -18.729 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 2.978 -4.461 -3.628 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 17.576 -14.469 12.267 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 3.070 1.948 -3.944 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 5.528 -0.851 -2.856 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 14.304 -8.608 -2.702 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 7.673 10.341 -1.024 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 -2.733 1.018 -2.153 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 -1.660 -5.173 -3.911 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 16.070 8.360 32.185 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 -0.549 -1.291 -4.072 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 3.031 5.430 8.280 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 -6.623 -5.538 -11.129 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 4.208 -3.991 6.637 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 -14.640 -9.573 1.286 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 -8.662 -3.001 -2.765 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 1.032 -1.669 -1.405 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 -12.076 -2.645 6.495 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 4.298 10.474 9.448 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 -0.292 -3.511 -7.008 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 14.702 -11.385 -4.564 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 11.085 -10.345 -4.824 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 -2.150 8.453 -4.224 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 -7.379 13.664 -0.562 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 5.692 7.926 3.056 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 -3.550 -2.057 1.874 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 21.952 -14.695 2.106 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 -11.375 19.181 -0.943 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 1.682 1.470 -1.849 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 3.766 -0.402 -31.228 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 8.080 21.671 31.199 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 0.510 3.097 -5.434 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 22.872 9.082 5.645 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 3.409 -0.604 -4.436 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 -0.220 8.321 -0.227 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 -2.745 8.235 2.611 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 -9.433 5.956 -5.987 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 -1.333 6.037 -0.157 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 -4.427 23.118 8.270 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 2.930 -11.670 -8.780 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 2.975 6.358 2.588 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 8.380 -2.965 2.406 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 1.129 0.378 19.778 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 -2.661 -4.150 0.062 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 -9.944 -2.152 5.635 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 8.278 -4.894 -15.929 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 1.972 -0.635 -0.813 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 5.203 -4.250 -9.145 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 9.669 -1.470 5.799 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 -0.963 4.684 -7.166 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 -9.635 -0.460 -5.760 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 -29.620 -11.727 -2.873 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 -6.331 -0.207 7.262 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 -10.821 7.397 11.863 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 -18.024 3.448 19.510 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 3.635 -11.484 -1.981 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 -2.831 4.004 2.626 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 2.012 26.983 0.542 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 1.156 -2.199 -0.623 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 -8.362 -18.927 19.986 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 30.361 6.195 3.544 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 -0.626 -4.105 0.554 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 -20.483 -20.500 12.862 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 -7.486 -5.598 -2.304 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 -5.866 -2.375 -2.607 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 -17.506 7.985 -14.827 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 -23.016 5.038 3.644 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 0.505 -2.809 0.272 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 -8.792 -9.086 2.389 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 -1.357 1.784 -15.485 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 2.631 2.045 -5.726 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 -0.471 -16.412 2.042 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 1.279 -27.678 10.014 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 1.607 -1.364 4.244 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 -13.107 41.911 35.364 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 2.981 -27.858 -2.372 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 -1.432 -5.415 -0.402 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 -6.293 -5.144 11.367 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 30.727 4.650 -19.221 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 -1.957 3.556 2.667 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 0.783 -0.761 -9.795 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 -15.764 21.103 -5.363 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 0.453 5.919 0.879 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 13.518 11.333 6.063 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 -6.408 12.618 10.028 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 1.435 2.477 -1.443 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 3.421 1.887 -18.941 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 -0.975 5.038 20.797 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 -0.086 -2.170 -0.594 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 -7.074 -9.434 -7.082 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 0.452 8.823 -8.368 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 -1.474 5.635 5.587 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 4.789 -4.082 11.001 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 -7.758 15.540 0.337 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 -3.004 -0.246 -2.765 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 -9.602 -12.400 -3.465 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 3.492 4.848 0.591 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 -4.197 -0.041 -0.818 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 -1.350 4.791 6.703 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 3.210 -0.434 -0.399 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 -10.008 2.916 -4.866 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 -5.622 23.467 -5.364 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 6.524 -13.610 -28.089 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 1.338 1.505 2.273 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 -7.383 -3.806 -3.750 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 1.211 -7.592 8.888 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 2.028 -0.795 -4.938 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 4.549 8.062 -1.192 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 2.833 -8.806 -21.929 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 6.895 0.422 -2.733 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 6.304 -4.304 7.698 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 -2.538 -2.938 -27.387 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 -0.013 -2.088 -1.446 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 -2.538 5.326 -4.768 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 0.941 -4.420 3.221 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 -4.441 1.571 -7.620 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 3.060 4.109 -11.136 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -7.672 -2.413 -13.717 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 -7.898 -2.916 -1.140 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 3.505 1.506 5.773 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 -17.278 10.146 8.923 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 -1.182 -0.150 2.826 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 6.949 2.087 -17.283 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 -3.491 -5.523 7.658 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 -5.016 -0.312 -1.762 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 3.410 -1.661 0.418 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 -3.370 0.089 -0.730 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 -3.710 -3.176 -0.656 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 -12.100 -16.233 0.935 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 -9.068 -11.727 -0.216 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 -3.328 3.538 -1.370 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 -16.726 0.822 15.047 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 3.477 10.214 -16.825 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 0.530 -1.569 4.216 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 22.622 -10.502 25.902 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 11.310 3.625 4.155 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 3.707 0.605 -0.110 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 -3.097 2.208 24.351 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 15.797 -18.077 1.010 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 -1.910 0.140 0.312 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 -3.109 -2.435 0.003 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 -20.287 -22.827 15.738 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 -5.156 1.627 10.850 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 -10.610 -7.108 10.916 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 -37.287 -3.463 1.994 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 -5.066 -1.841 -1.372 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 -8.505 -16.516 3.815 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 1.369 26.478 -10.912 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 -0.088 5.829 -2.375 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 10.678 2.678 -1.456 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 -10.606 7.104 -4.056 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 -0.397 -2.281 -1.135 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 12.834 -5.048 6.871 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 1.596 -3.780 8.260 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 0.207 1.378 4.024 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 -16.179 2.742 7.775 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 -7.599 13.307 13.932 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 -8.478 -0.035 -7.236 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 8.414 -1.988 -1.170 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 -19.482 -14.519 -7.866 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 -4.912 -4.649 -2.880 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 -6.084 3.029 9.442 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 -1.895 -16.309 1.812 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 -1.343 -5.477 1.884 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 -13.509 -26.743 8.518 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 5.581 22.468 -9.765 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 -1.684 -2.246 -4.842 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 5.938 -0.217 -10.668 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 3.308 -2.487 -6.429 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 -2.832 1.142 -1.863 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 15.667 2.960 0.734 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 -9.960 -12.127 2.659 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 5.199 2.698 4.027 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 -1.651 13.414 -14.863 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 -6.447 -14.017 2.645 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 1.565 2.623 -0.857 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 -0.712 15.477 -8.240 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 -4.216 -16.372 4.637 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 1.917 -0.847 5.667 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 3.453 -12.575 2.841 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 8.445 -5.293 -7.603 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 1.848 -0.562 -1.160 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 1.740 17.521 -5.844 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 -0.517 -2.324 -14.932 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 -0.967 2.018 -5.471 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 -9.134 3.207 2.592 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 -20.171 1.153 11.423 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 -4.796 6.531 4.091 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 11.224 19.788 -8.478 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 5.036 -0.691 5.994 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 1.143 -2.198 9.092 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 -7.484 3.866 -12.500 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 -8.947 -23.169 7.907 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 -2.342 7.345 -5.364 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 -13.231 19.202 -4.492 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 -4.358 0.716 7.652 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 -3.491 -4.782 1.823 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 -1.817 -11.176 2.688 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 -0.599 -14.833 3.132 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 -0.691 -2.952 2.897 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 0.091 5.075 5.745 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 0.202 7.084 11.580 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 -2.413 5.527 9.132 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 4.702 0.648 2.951 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 -0.538 -14.382 2.831 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 0.236 3.014 -1.753 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 -6.045 11.848 2.901 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 -2.865 4.330 -1.056 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 9.729 3.861 1.791 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 15.592 14.345 2.173 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 -2.115 21.829 1.793 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 9.269 2.036 -2.258 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 18.007 -11.938 10.336 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 -5.895 -4.936 -3.090 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 5.563 -3.509 5.969 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 -7.594 -14.766 16.645 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 -9.359 -19.705 -2.813 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 -0.360 -3.499 -4.474 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 -11.632 -20.733 3.650 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 3.414 -2.684 8.656 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 -2.884 1.566 0.289 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 -4.733 2.930 -6.475 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 -2.918 -3.050 7.406 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 2.193 1.565 -3.614 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 2.955 9.651 -9.776 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 12.702 10.808 -4.119 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 -5.170 -4.040 -4.965 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 -1.212 -12.175 7.983 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 1.909 -15.304 -5.743 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 -2.056 -1.806 2.522 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 13.435 3.376 -16.360 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 1.056 21.915 21.367 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 2.588 0.258 -4.095 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 3.039 -0.486 -5.772 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 10.028 -2.114 -14.717 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 -5.130 -1.787 -3.749 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 2.897 -4.934 -10.539 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 -0.523 2.538 2.119 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 1.021 -0.226 -6.045 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 2.676 -11.517 -23.850 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 -22.875 -4.022 -18.678 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 -1.565 1.846 -1.276 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 9.305 -31.391 -13.173 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 -6.585 18.737 5.030 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 -5.378 6.542 0.168 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 -18.671 -36.057 11.349 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 -13.434 -7.774 1.501 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 -6.127 5.918 0.539 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 -15.076 -3.766 15.703 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 9.772 12.788 29.035 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 4.964 -1.341 1.805 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 4.089 4.454 -0.460 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 12.145 -25.001 9.951 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 0.331 -4.373 -0.616 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 -9.793 -19.319 -15.594 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 4.137 20.593 -4.846 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 -1.744 -5.336 6.221 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 -12.760 24.070 3.514 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 -1.097 9.004 1.730 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 2.968 -1.376 2.963 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 -17.903 13.389 5.440 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 12.621 27.793 1.257 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 6.552 4.952 -1.431 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 9.116 -7.900 -1.864 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 -4.131 10.211 4.810 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 3.240 -4.645 -2.855 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 -4.053 -2.155 0.468 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 12.421 -16.906 3.435 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 2.619 3.036 -0.331 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 5.387 1.599 -4.191 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 0.019 -2.257 6.022 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 4.898 -4.741 0.807 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 -7.935 17.663 10.099 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 18.333 -6.722 5.155 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 3.106 -7.710 -11.570 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 -0.845 7.511 -17.806 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 -2.588 4.589 -22.551 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 -4.721 -0.716 -6.364 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 -20.581 11.125 -23.039 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 30.495 1.491 11.153 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 0.687 0.604 -6.072 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 -3.293 2.624 -25.485 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 3.930 -22.026 8.247 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 -2.069 2.679 -3.479 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 0.342 5.728 -5.540 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 -11.731 -0.730 -1.282 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 -3.635 2.670 -7.292 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 -30.792 -12.460 12.288 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 37.164 -3.883 -18.254 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 -3.129 1.097 -1.673 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 -17.596 -16.487 -7.501 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 -12.084 8.363 16.931 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 -4.431 -8.806 1.614 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 -12.971 -13.579 -1.067 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 -5.097 -10.799 -0.545 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 0.308 2.984 -2.940 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 -1.633 3.820 -19.301 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 -8.694 10.246 0.087 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 4.509 0.453 5.466 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 8.476 -6.100 5.363 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 7.711 -4.205 5.154 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 0.692 2.133 4.674 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 0.550 -22.372 14.422 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 -3.646 24.958 18.242 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 4.732 -0.940 0.792 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 13.893 1.657 -4.511 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 -1.579 -2.514 4.424 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 -4.371 1.308 -4.317 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 13.659 -15.371 -2.498 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 -21.230 15.272 -4.600 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 -2.058 -6.397 -2.102 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 -1.605 -5.348 -5.234 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 -3.795 -4.755 -0.387 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 6.439 1.679 -0.275 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 -0.255 -2.605 1.807 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 11.214 0.682 0.097 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 2.368 4.378 -0.079 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 -1.463 11.375 -14.932 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 -22.805 -34.446 1.975 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 0.525 1.836 -0.074 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 9.811 -7.608 9.912 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 2.870 -7.924 11.188 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 1.693 -4.035 -3.521 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 -7.021 -8.933 -6.948 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 0.636 3.161 -2.481 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 -0.934 2.753 3.749 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 0.546 10.058 9.030 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 22.827 -20.052 41.662 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 -3.809 -2.097 4.067 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 -13.202 -12.749 7.777 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 -3.932 1.812 1.685 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 -2.162 2.713 2.439 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 -4.527 -17.345 7.955 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 -18.859 -17.475 1.618 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 2.077 3.161 7.329 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 0.570 -6.194 9.702 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 35.372 12.074 -4.733 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 -1.395 5.728 -2.069 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 -4.019 5.410 0.745 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 -16.275 3.912 -33.463 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 -0.060 4.406 -1.716 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 32.229 11.416 3.251 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 2.284 -6.759 6.904 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 4.406 1.843 6.069 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 8.039 14.992 9.561 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 12.968 -6.069 8.024 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 1.297 0.563 -1.907 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 -3.046 6.827 -1.257 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 6.745 25.487 -6.276 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 -7.545 0.664 2.816 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 -8.104 5.798 -8.811 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 -0.663 -4.805 1.680 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 2.898 2.894 -5.407 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 -0.802 2.132 1.981 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 7.970 4.025 3.106 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 -0.201 -0.207 4.333 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 9.362 -27.393 -8.683 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 -9.369 2.900 -9.312 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 7.225 8.217 -3.784 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 -1.867 24.674 13.912 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 -0.473 17.359 12.637 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 -6.661 -1.327 -4.455 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 -7.576 -1.556 -2.990 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 -7.132 32.200 -14.508 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 0.057 2.347 2.783 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 0.733 7.793 -1.269 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 5.638 -1.649 2.366 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 2.887 8.662 -5.342 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 6.122 17.309 7.425 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 -0.298 12.575 5.335 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 1.353 3.183 10.814 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 -5.402 -15.788 -8.720 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 -13.421 5.601 -13.489 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 4.822 0.641 -2.634 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 3.808 2.670 -10.025 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 -1.932 0.412 -11.617 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 6.359 -0.137 -1.817 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 38.290 14.689 -15.266 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 -15.394 -17.100 9.363 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 -1.700 5.443 4.387 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 3.667 8.078 4.346 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 -4.881 -2.236 -14.326 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 -2.361 5.111 -1.427 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 2.750 6.674 -13.863 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 19.625 2.362 2.232 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 2.921 -0.581 -2.454 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 16.744 -3.017 1.661 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 0.551 27.524 -16.065 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 -4.678 -4.108 5.989 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 -6.897 -20.127 2.589 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 -20.423 9.571 14.791 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 -4.867 -0.946 0.940 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 -12.310 -14.592 -7.336 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 24.859 -19.492 36.259 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 -2.476 5.714 0.085 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 18.853 17.113 -9.844 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 -12.193 -7.024 -20.282 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 1.240 -3.174 1.415 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 4.046 -25.076 4.910 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 -16.060 6.046 13.944 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 0.551 4.706 0.820 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 -26.297 11.164 9.552 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 -16.778 9.605 5.882 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 5.348 -5.188 7.752 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 -14.911 -14.404 2.000 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 21.198 14.665 -10.169 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 3.899 1.649 -3.383 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 2.267 9.671 -10.234 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 0.508 3.478 20.522 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 -0.194 -9.565 -3.901 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 1.750 -15.365 -27.957 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 18.316 -0.453 7.158 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 4.143 3.796 4.564 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 -6.424 25.612 6.368 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 19.439 23.682 9.788 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 -4.349 1.873 1.082 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 0.429 -10.641 -9.510 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 6.248 9.712 9.708 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 -2.755 -2.033 2.132 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 -6.945 9.203 -16.974 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 -0.956 -7.264 11.378 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 -5.273 4.882 -1.370 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 11.923 -25.159 9.520 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 -12.363 -6.509 -19.314 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 1.386 -1.660 0.054 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 -7.951 0.164 29.352 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 3.932 27.983 -9.105 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 -4.904 3.033 -5.580 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 -1.334 -9.128 -23.185 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 -8.156 2.639 2.791 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 4.338 -3.472 -3.015 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 13.641 0.649 1.101 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 6.880 -10.918 -6.177 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 -2.740 -5.104 -6.725 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 -10.486 3.094 -22.169 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 7.690 10.097 -11.791 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 -0.125 -2.864 1.828 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 -22.349 11.452 -15.186 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 -0.496 -25.482 -15.806 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 4.278 -2.544 -0.257 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 7.753 5.572 -1.561 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 -16.249 -1.400 24.644 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 -2.860 -1.720 -0.672 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 3.921 5.516 -6.035 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 1.633 2.339 27.559 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 -0.080 -4.397 -1.032 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 9.024 -8.193 -9.915 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 33.911 -7.806 -41.922 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 -0.845 -5.315 -2.673 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 7.924 8.992 7.415 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 -5.977 -13.103 -8.416 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 -0.758 -1.626 -2.327 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 -6.910 18.529 0.899 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 0.580 13.916 -7.718 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 6.319 -3.100 2.813 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 -11.655 3.014 15.149 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 8.244 1.275 8.468 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 -6.150 0.165 -4.072 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 6.806 -1.803 2.132 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 10.199 -1.201 -10.359 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 3.233 2.568 -3.446 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 17.486 16.350 -17.530 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 7.250 2.922 -0.674 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 -5.903 1.602 -7.931 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 7.303 6.698 -21.473 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 -9.060 -3.864 10.464 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 4.075 0.422 1.645 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 -13.940 -10.649 -24.477 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 0.628 6.493 9.742 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 7.250 -6.871 1.713 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 9.302 -16.184 3.067 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 -11.708 8.544 39.967 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 6.413 1.672 3.188 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 -2.236 0.098 12.815 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 4.843 -4.241 0.982 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 1.588 4.612 0.813 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 -19.251 -29.233 -6.676 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 -24.276 4.943 -11.243 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 5.324 9.442 2.529 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 4.392 -1.983 -19.318 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 15.493 7.881 27.198 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 0.282 3.466 -10.183 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 0.396 27.883 -4.477 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 3.434 10.376 -9.931 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 1.737 -2.964 2.008 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 -1.579 4.906 8.188 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 -8.400 0.664 8.313 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 0.411 1.772 2.434 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 0.876 -7.236 -7.444 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 22.110 34.210 11.639 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 4.449 8.334 -3.226 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 -3.845 -0.257 -8.171 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 -1.093 7.539 -8.593 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 1.202 0.029 1.015 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 14.320 4.712 -10.454 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 -19.267 -19.219 6.356 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 -0.678 2.455 3.212 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 -7.396 -5.934 1.949 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 5.328 1.004 9.720 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 -2.355 -0.612 -2.896 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 1.714 17.221 5.345 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 -0.414 -6.721 -9.156 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 -4.390 -1.936 1.278 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 1.316 7.041 -10.278 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 -6.245 5.711 -1.240 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 -4.635 3.773 -1.531 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 -15.104 11.465 8.841 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 15.678 -7.419 -24.269 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 0.941 -6.068 -1.969 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 9.730 -8.543 0.232 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 -9.613 18.410 -10.783 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 1.409 -3.174 -7.196 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 -14.701 -34.591 -11.791 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 -5.282 -15.632 -11.528 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 0.644 4.793 1.540 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 -11.734 27.287 -24.522 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 -10.488 17.981 -11.207 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 0.455 0.669 3.619 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 14.973 -11.944 10.600 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 1.927 6.712 -3.439 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 -0.637 2.327 2.555 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 -6.147 -16.434 15.762 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 -16.751 -17.457 -5.585 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 3.472 4.160 -2.006 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 18.671 6.666 -6.074 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 -0.894 7.700 -19.886 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 3.597 5.992 -2.736 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 6.273 17.393 -8.330 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 12.569 -14.490 17.332 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 2.831 -4.290 9.354 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 14.825 -12.078 9.227 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 2.663 8.364 22.762 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 6.049 6.527 0.919 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 -5.394 -7.370 -22.275 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 6.540 -10.164 -16.267 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 -0.461 -4.576 -3.027 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 -3.851 -7.532 -8.506 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 -2.335 -8.737 7.009 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 -3.154 -0.055 -0.755 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 -2.470 12.721 10.113 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 -3.158 1.638 -5.051 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 3.671 -1.672 5.887 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 13.077 12.994 19.138 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 5.361 -18.328 -19.501 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 -5.452 -2.031 -0.322 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 7.636 -13.412 28.093 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 15.620 7.501 -10.228 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 1.851 1.409 -0.387 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 31.756 -1.554 -9.209 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 -14.295 -7.679 -13.251 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 -2.405 2.845 0.956 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 -1.536 -9.739 -9.364 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 -4.380 7.215 3.842 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 -3.243 -5.817 -6.674 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 2.117 -6.667 9.928 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 -14.081 29.091 -3.097 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 -5.999 2.620 -3.457 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 5.799 -12.684 18.972 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 -14.292 -8.672 -9.493 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 -3.274 1.168 0.349 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 -10.042 -9.390 10.915 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 9.284 3.401 -11.657 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 1.702 -0.482 -0.241 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 11.092 3.040 -0.185 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 -2.862 -9.619 -11.574 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 -7.886 -0.796 -1.098 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 -10.001 -3.824 13.305 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 -10.102 11.981 1.176 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 1.628 0.015 3.509 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 41.912 29.958 -33.887 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 -3.203 -8.576 -0.745 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 1.183 0.534 -5.970 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 -2.218 -3.049 8.002 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 -0.603 -1.999 1.740 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 0.733 0.297 -5.737 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 8.236 24.583 -19.514 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 13.279 -1.245 14.173 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 -0.255 -3.269 -4.723 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 5.391 -10.567 -8.519 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 15.797 4.964 -15.914 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 0.287 -0.893 -1.571 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 9.154 -28.745 -13.316 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 8.092 -2.948 -11.892 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 1.003 4.488 -1.169 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 -18.367 -20.763 26.254 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 18.682 -7.175 30.548 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 0.271 -1.190 0.414 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 -15.152 -1.951 4.309 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 -5.182 -11.361 -16.192 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 5.950 7.413 6.624 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 29.177 -5.581 -12.427 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 16.561 0.885 -1.672 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 -1.196 6.731 -1.377 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 -7.152 12.802 -12.884 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 5.849 -5.398 5.625 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 2.733 -2.341 -2.098 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 10.519 -3.597 -2.982 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 -10.738 -10.686 13.082 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 -1.135 3.816 7.110 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 -8.389 18.851 -10.853 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 14.392 3.163 -3.541 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 3.807 -0.048 1.783 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 3.056 15.090 -4.317 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 7.735 -8.026 -9.351 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 3.496 -1.488 0.978 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 3.691 -7.626 -11.186 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 -7.131 -6.486 18.062 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 -6.919 3.150 -1.057 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 11.697 1.951 1.451 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 -14.198 -10.239 -8.111 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 3.481 -3.381 -0.835 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 -6.191 -7.970 6.317 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 6.831 -11.950 17.050 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 6.168 -0.224 -2.543 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 -11.028 -13.191 0.846 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 5.236 18.775 11.177 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 1.377 -3.887 2.570 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 7.865 0.869 0.683 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 11.790 2.268 14.587 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 2.831 1.972 1.454 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 -6.333 38.352 13.030 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 20.993 -23.057 19.474 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 -5.873 -1.447 4.900 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 9.034 11.265 13.707 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 4.387 -10.276 -12.663 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 2.334 -1.426 -2.792 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 -17.411 2.859 3.520 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 -5.953 1.367 0.764 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 4.522 4.244 0.475 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 11.851 6.445 8.455 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 -11.949 3.711 -12.093 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 -1.977 -1.099 -0.473 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 20.345 0.684 -12.166 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 16.762 8.136 -1.450 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 -2.032 -2.411 0.934 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 -9.045 1.752 9.509 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 9.018 25.438 -10.686 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 -0.040 3.502 -0.351 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 10.781 -8.136 -6.175 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 -1.854 -19.333 9.196 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 -0.222 -2.639 1.331 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 0.186 6.566 -0.736 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 -1.532 12.406 12.090 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 -1.510 -3.332 -2.575 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 -17.071 -26.487 -33.597 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 -1.922 -4.022 1.860 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 3.848 -6.192 -2.487 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 15.016 -24.478 2.952 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 10.902 -14.094 0.548 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 10.554 -7.111 0.196 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 -24.398 7.907 11.167 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 11.972 -7.169 -2.617 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 1.250 4.755 3.357 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 4.796 2.908 -1.223 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 -0.132 0.717 1.335 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 3.686 -2.597 -1.384 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 7.279 1.149 -2.468 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 -4.458 -10.389 0.203 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 -4.714 -5.013 -4.326 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 16.925 3.844 -12.209 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 10.647 -17.161 -41.169 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 -5.969 -3.432 2.527 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 -0.617 -5.410 2.391 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 4.729 -6.483 14.850 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 -5.473 -1.988 -0.371 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 9.614 4.526 -1.815 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 35.108 10.413 4.035 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 -1.619 -2.785 2.879 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 2.741 -13.846 -4.401 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 -4.823 6.941 0.054 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 3.185 2.473 3.096 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 -1.396 11.525 -1.638 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 7.277 -2.210 -1.838 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 -1.030 2.979 -0.133 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 -23.836 3.483 -1.433 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 -0.071 -0.087 -3.469 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 2.606 -2.199 -5.310 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 -6.208 -0.216 6.404 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 -11.509 -2.259 -1.703 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 1.390 -5.264 0.156 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 4.334 5.902 -5.876 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 1.380 3.878 -0.941 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 0.762 5.709 1.480 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 14.289 6.804 6.684 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 -5.466 2.832 10.294 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 2.215 5.203 4.340 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 1.923 8.643 -0.223 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 8.919 11.099 6.346 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 1.363 -2.792 -5.427 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 27.672 -5.644 4.386 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 2.648 -0.634 8.545 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 -4.482 -0.204 -6.177 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 -19.195 -13.442 -1.633 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 5.620 22.230 -15.613 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 -4.081 -4.347 -1.200 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 1.176 -8.926 -8.501 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 -13.993 -5.957 -3.793 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 1.635 -0.407 -1.395 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 -10.750 -6.389 4.445 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 -12.232 0.497 -2.830 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 5.219 -3.368 6.620 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 12.365 -3.272 10.955 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 8.043 -3.876 12.365 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 0.763 -0.625 -1.805 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 -14.130 -6.078 -3.025 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 25.554 -1.573 3.851 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 3.240 -0.341 0.323 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 14.223 2.843 3.117 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 1.923 13.047 27.176 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 -0.642 3.092 -1.099 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 7.825 14.780 -4.185 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 2.875 -6.922 -11.915 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 5.495 1.188 1.187 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 11.044 -17.619 -13.655 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 -7.484 -5.071 11.155 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 0.280 5.865 -1.358 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 0.963 9.997 11.029 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 10.895 18.962 -3.467 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 0.440 0.629 3.135 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 -8.923 -4.644 -6.969 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 11.825 9.151 -4.592 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 3.557 1.882 -2.362 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 2.459 -3.676 0.188 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 0.044 -3.281 6.973 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 6.273 4.935 4.157 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 8.126 3.004 6.068 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 6.695 9.054 0.435 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 1.551 1.152 0.477 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 -1.932 0.622 -5.801 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 2.319 8.804 -5.643 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 -8.198 0.478 0.532 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 -21.312 4.190 -24.989 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 -14.687 -5.870 13.785 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 -6.685 -1.766 -6.006 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 14.475 -21.567 -4.696 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 -4.100 0.680 -1.201 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 -1.123 1.147 -5.821 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 4.698 -3.379 -11.976 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 -6.011 14.061 -1.789 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 -6.678 -0.048 -6.454 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 -13.173 -16.307 18.635 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 -5.389 6.814 -3.606 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 3.319 -4.363 3.709 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 -22.850 -4.370 8.272 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 -0.665 -3.264 2.246 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 -3.275 -5.938 2.710 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 10.045 0.449 5.606 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 16.068 12.696 -14.578 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 -1.404 -0.624 -3.559 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 1.833 -5.304 -0.890 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 -1.286 -2.164 -9.867 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 -0.431 2.603 8.393 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 -3.971 7.852 -0.858 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 -4.037 6.977 -15.775 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 -2.057 1.522 -2.540 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 8.932 6.831 -7.832 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 -3.147 1.511 6.772 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 -3.239 3.010 1.212 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 0.617 3.679 2.445 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 -17.773 -7.679 10.167 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 -0.207 -1.635 -0.771 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 -32.459 1.262 -14.673 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 13.510 1.151 6.291 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 -7.047 -5.632 0.459 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 -5.775 7.413 6.020 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 9.770 -6.899 -35.998 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 2.865 4.940 -8.896 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 -16.234 5.448 -9.240 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 8.513 1.348 -12.091 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 4.268 0.161 1.221 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 -12.625 -21.463 21.471 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 0.931 -5.796 -2.696 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 -2.631 0.043 2.338 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 -5.018 15.400 -5.772 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 -18.918 30.469 -15.824 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 -0.468 -0.400 6.605 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 -2.666 -3.418 -43.364 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 -30.406 -31.211 -8.384 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 -2.646 11.728 -0.505 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 -12.156 1.611 -7.413 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 -6.449 13.431 11.880 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 9.179 -1.845 1.399 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 13.497 -0.730 -18.173 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 15.966 -2.123 4.953 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 -2.916 4.645 -1.258 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 -10.131 -11.100 -6.832 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 2.812 11.472 -4.080 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 5.992 1.860 9.587 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 -7.993 -3.327 5.821 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 8.044 16.006 8.333 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 -2.038 -3.934 -3.004 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 -1.311 14.677 1.173 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 1.861 -9.303 12.430 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 3.416 0.664 0.663 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 5.024 -23.616 23.455 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 -2.344 -5.297 22.883 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 -5.708 -1.508 -2.166 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 1.463 -8.265 -7.219 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 -15.100 -14.020 4.768 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 -1.564 9.691 -1.683 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 7.105 6.074 -8.723 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 -8.781 13.385 15.229 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 -3.991 -1.937 3.236 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 6.968 -1.196 -5.232 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 -1.971 4.504 19.100 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 -3.202 -3.958 8.201 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 15.157 25.052 -5.580 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 -2.669 -0.091 0.433 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 -5.909 2.651 -9.482 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 -2.762 5.795 18.031 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 -4.214 -0.967 -29.478 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 -2.934 -0.091 3.271 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 -24.679 1.173 15.501 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 5.239 20.906 8.109 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 -3.469 -7.918 -0.075 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 3.595 0.381 -1.799 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 14.539 6.135 -10.603 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 4.737 -6.691 0.560 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 -15.577 4.873 -27.171 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 20.111 19.344 -6.148 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 1.086 -7.485 2.121 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 9.518 5.426 0.353 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 -7.788 5.753 2.057 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 5.226 -2.264 -0.373 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 3.051 -3.865 -1.913 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 9.404 11.926 -13.260 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 3.677 -6.284 -3.737 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 7.055 4.424 15.036 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 -4.558 -0.650 -1.467 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 0.620 -2.995 8.619 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 5.133 -3.064 2.992 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 -4.271 -0.843 16.123 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 -0.695 0.634 2.486 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 -1.702 16.542 -2.223 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 2.974 13.607 -28.698 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 -4.042 2.118 -2.765 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 -4.991 -1.435 -1.836 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 -7.253 20.951 -9.361 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 -1.163 5.913 -2.341 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 -12.530 14.899 -5.603 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 11.079 16.707 17.375 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 -3.327 -3.501 1.588 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 13.107 -0.622 8.840 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 -1.442 -8.191 -12.000 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 3.299 -12.121 2.067 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 -2.730 -4.592 8.624 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 -13.491 3.724 0.260 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 -2.413 -4.430 2.885 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 -13.268 -7.648 -7.283 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 -18.736 -26.391 -8.569 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 -1.423 4.118 -2.065 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 9.066 -5.224 -10.034 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 4.134 3.701 11.282 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 5.439 0.766 0.224 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 2.972 -29.234 14.313 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 6.965 4.280 -0.079 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 7.403 0.442 -2.535 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 -11.048 -0.411 -7.706 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 2.872 18.182 1.870 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 -1.088 -3.424 -3.249 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 7.657 -6.197 -10.774 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 1.805 -2.087 -9.619 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 -3.487 0.801 0.622 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 5.109 -28.946 4.584 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 5.641 -17.553 8.971 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 5.794 -3.802 -0.337 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 6.306 -3.069 -9.651 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 12.830 -6.661 2.353 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 4.125 1.127 5.206 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 -11.746 14.960 20.934 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 5.111 -3.465 4.234 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 6.768 -0.931 0.101 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 9.839 9.379 -12.300 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 -8.353 -5.593 1.421 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 -5.601 -5.788 1.470 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 -8.008 -10.928 -9.183 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 -14.507 40.947 12.428 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 -6.112 0.934 1.169 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 2.000 -0.316 -5.826 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 -11.233 13.465 1.548 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 -2.374 -5.414 8.297 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 -1.127 11.051 -0.794 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 -1.485 1.309 6.015 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 -2.525 -2.727 2.829 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 -3.762 -5.463 5.230 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 2.835 1.935 8.062 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 -0.839 1.383 3.283 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 6.035 1.911 17.380 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 9.026 -6.500 3.147 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 -1.141 -3.520 2.747 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 -5.082 9.362 3.006 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 20.347 -8.183 2.737 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 -0.554 1.938 1.083 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 0.880 2.895 -15.192 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 0.269 2.605 -10.246 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 1.653 -4.067 -1.816 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 13.050 -8.283 17.604 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 18.197 8.715 14.418 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 -1.449 -2.182 3.021 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 -19.372 -6.269 28.451 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 1.552 3.022 -2.908 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 -6.657 -2.004 -2.012 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 -15.853 0.202 -2.572 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 -6.066 -5.992 -21.122 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 1.720 -2.551 0.917 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 6.675 2.651 -5.916 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 6.278 1.645 7.323 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 2.029 -5.339 -0.849 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 -10.199 9.776 17.176 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 -2.576 4.387 2.297 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 -0.546 2.015 -3.101 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 -16.908 13.491 10.753 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 -7.581 -7.936 8.840 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 1.047 4.520 -3.903 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 4.129 5.927 -10.140 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 9.348 4.371 -5.958 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 -7.988 -6.506 1.702 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 -5.535 -11.680 -3.958 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 4.258 -0.544 -26.106 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 0.108 -3.569 3.250 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 4.853 -5.213 2.933 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 -5.998 -6.939 4.571 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 -2.593 -2.065 -3.747 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 24.322 14.917 5.897 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 -10.519 -8.269 -4.446 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 -2.391 3.903 -1.572 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 6.466 8.948 2.074 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 1.171 4.454 -7.280 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 1.751 3.819 4.444 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 -7.860 23.088 13.519 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 -8.089 -10.181 9.211 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 1.086 -2.649 1.931 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 8.229 -4.022 -0.586 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 -0.448 1.205 -2.816 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 -0.673 2.765 4.149 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 12.595 -15.489 14.167 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 10.432 12.971 -7.999 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 -4.209 -9.194 5.418 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 -4.898 -4.102 3.380 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 27.605 5.964 12.223 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 7.929 1.939 3.627 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 1.552 7.578 -26.880 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 5.818 2.636 10.392 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 1.482 -1.187 7.239 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 1.346 -3.003 5.185 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 3.466 -4.758 10.247 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 0.827 5.506 -5.716 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 8.164 -2.602 -0.454 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 -0.790 17.496 -8.085 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 -8.575 -0.720 -1.323 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 0.324 26.302 5.220 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 -4.206 -23.191 23.292 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 -4.387 -4.569 -3.497 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 -23.180 -1.741 -8.948 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 24.067 37.707 -16.191 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 1.522 2.733 -0.231 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 0.784 6.973 -1.556 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 4.781 4.930 3.216 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 -4.104 -1.045 5.219 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 7.419 11.937 12.479 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 3.545 7.386 4.737 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 -2.119 1.941 -0.590 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 0.597 -2.966 -3.336 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 4.307 8.286 1.204 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 -2.940 -1.303 -2.261 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 4.250 -5.112 -9.763 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 -9.972 9.884 1.162 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 -3.268 3.202 5.260 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 -14.499 -5.224 4.582 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 13.035 11.778 6.807 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 -8.545 -1.661 -1.989 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 -12.404 -2.068 3.775 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 14.800 -6.662 -9.620 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 2.783 5.146 -5.461 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 -4.873 21.147 -17.962 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 20.486 3.800 -13.295 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 -0.272 -3.152 7.680 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 5.148 6.535 6.536 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 14.103 47.606 -11.180 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 -3.515 -3.661 -0.476 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 -13.616 -12.307 4.104 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 1.072 2.409 11.786 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 9.707 -4.805 6.281 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 -9.172 -9.563 -24.168 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 11.292 31.252 8.039 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 0.195 -3.801 -2.043 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 17.896 12.885 -9.063 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 -9.957 -0.499 -2.788 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 -2.492 3.069 -3.242 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 -4.105 4.818 0.455 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 4.085 -2.259 -1.622 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 1.024 -0.312 -2.082 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 0.718 -0.294 -5.757 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 1.428 1.238 5.331 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 5.595 3.471 -5.729 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 1.104 -28.021 -4.991 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 5.536 3.905 -5.654 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 -3.248 1.710 0.321 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 23.576 -0.640 7.379 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 -15.938 -27.965 11.041 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 -4.075 -2.324 1.172 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 -10.709 -0.522 -0.782 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 -2.627 -0.201 14.110 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 7.287 -4.300 2.591 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 7.241 -11.010 7.908 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 8.857 -16.159 8.257 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 2.255 0.200 5.907 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 -1.401 2.216 7.469 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 -4.232 -8.866 6.286 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 -3.526 -1.649 -0.016 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 -9.898 -1.495 -5.211 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 -6.206 6.333 -4.913 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 -2.614 3.169 7.929 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 -15.208 -3.017 12.166 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 3.615 -0.814 7.557 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 -2.308 2.505 -1.316 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 -17.306 0.728 2.444 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 -1.049 1.320 -5.360 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 4.030 -6.089 -2.592 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 3.838 1.616 2.116 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 -7.012 6.230 -6.254 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 -3.959 5.675 1.335 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 2.116 -3.883 -9.662 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 2.880 8.363 25.572 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 -2.144 2.246 -1.450 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 -0.789 -14.875 -5.199 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 -6.307 -24.147 -17.722 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 1.714 4.554 1.644 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 -3.361 -15.646 10.165 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 14.528 -4.791 -2.860 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 3.873 3.921 -0.814 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 16.525 18.689 16.157 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 -14.342 4.127 -16.226 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 3.180 4.401 -1.565 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 -15.652 6.213 -8.118 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 -11.037 7.451 -11.181 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 5.853 3.699 -4.101 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 3.466 -13.689 14.638 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 28.761 14.067 0.733 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 5.054 6.911 0.082 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 31.795 3.031 14.132 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 9.083 2.684 -8.481 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 4.320 -3.697 -2.187 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 -7.502 0.165 -12.996 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 -2.532 -9.425 4.560 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 -5.530 7.221 -1.681 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 -16.113 -5.301 2.208 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 12.361 -5.885 3.496 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 2.521 3.314 -5.678 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 -21.056 0.160 1.436 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 13.351 13.933 0.914 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 1.289 1.967 3.127 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 -2.609 8.037 4.403 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 10.104 -4.902 10.283 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 2.629 3.734 -3.007 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 13.823 2.776 1.901 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 -3.039 14.167 8.630 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 -1.821 -1.294 1.455 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 -27.707 1.240 23.174 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 20.938 -2.841 -18.492 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 8.258 -6.258 -3.469 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 -12.260 -6.281 3.452 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 5.039 3.803 -8.014 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 -3.196 -3.346 3.270 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 -0.303 -4.781 19.864 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 -5.409 -14.322 0.382 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 5.113 3.263 -1.079 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 6.254 4.571 3.050 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 4.617 4.790 0.924 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 3.401 -2.696 2.637 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 12.600 4.698 9.354 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 4.365 8.398 6.372 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 -3.920 3.550 -0.180 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 5.278 10.664 -8.770 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 0.252 7.183 -1.183 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 0.240 -0.572 0.573 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 -0.419 -1.162 6.048 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 1.419 -18.117 3.831 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 -1.901 4.731 -0.598 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 1.100 13.709 0.678 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 3.255 3.246 8.617 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 -8.814 -2.059 -0.014 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 0.132 3.612 -4.005 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 -1.388 -5.124 9.906 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 -0.634 1.563 -0.543 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 -17.832 0.401 -14.900 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 -8.694 1.319 1.935 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 2.121 -0.235 0.373 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 2.285 1.886 -9.258 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 3.691 8.329 -1.998 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 -4.030 0.301 -1.220 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 11.813 -3.472 -2.262 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 1.159 -5.587 9.167 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 0.754 -0.819 2.821 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 -2.900 0.527 -6.384 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 7.788 6.048 4.034 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 -3.999 4.823 -0.543 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 -11.283 -1.541 -6.564 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 -20.793 6.920 -4.884 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 -3.051 -1.954 -0.848 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 2.507 15.903 4.921 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 9.859 27.823 15.103 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 -1.176 5.899 0.948 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 5.349 -13.873 -1.884 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 8.696 -10.707 8.233 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 3.892 1.405 -1.336 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 10.601 -8.089 11.168 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 -12.286 -12.726 -7.018 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 -10.656 -4.764 1.943 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 -10.153 -9.984 1.598 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 -6.426 -4.415 -0.592 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 -4.423 1.839 -5.744 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 -8.036 2.669 -17.399 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 6.968 7.499 -6.499 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 -5.867 -1.453 3.526 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 -22.521 4.217 19.754 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 2.078 16.086 -1.094 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 -5.698 -4.579 2.041 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 -11.661 -16.564 -8.139 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 0.944 11.944 22.229 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 -5.366 4.993 -3.183 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 -17.092 -21.470 -4.457 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 -6.323 27.597 -8.013 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 2.455 -4.368 3.794 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 0.798 18.913 1.846 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 -13.783 -10.037 11.120 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 -2.910 -2.434 -2.969 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 -0.950 4.579 -26.586 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 0.387 -0.133 -13.562 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 -2.593 1.821 2.834 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 -1.606 -0.914 9.767 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 7.960 -0.490 10.372 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 7.428 -0.760 3.722 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 11.151 -7.465 0.637 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 3.686 -5.384 -12.567 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 4.050 5.435 7.910 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 9.561 1.464 -1.185 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 5.206 2.095 1.908 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 3.330 -1.822 -1.132 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 -8.035 21.269 -14.269 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 2.921 -1.646 -2.393 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 9.292 -2.631 1.401 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 -0.919 -7.739 10.519 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 9.715 12.417 3.964 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 0.224 -0.721 2.213 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 -2.350 4.173 -0.083 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 -4.257 3.423 0.332 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 3.697 -5.226 -1.130 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 9.517 -0.472 -15.639 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 11.962 4.900 12.039 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 -5.738 -3.285 0.933 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 -3.499 17.340 -7.827 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 17.266 21.935 0.289 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 1.124 6.249 -1.501 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 0.433 -4.608 -9.600 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 3.364 -6.130 8.073 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 -1.785 -1.102 -2.039 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 -4.817 -10.549 -3.715 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 3.012 -37.879 2.215 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 -1.590 1.936 3.702 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 -5.189 -2.718 12.622 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 -3.237 -6.869 1.076 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 -3.748 -3.021 -0.819 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 -28.153 -22.744 0.205 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 17.678 -21.380 -13.474 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 3.457 0.818 3.746 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 11.532 18.179 -6.340 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 -10.998 -9.417 -16.261 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 -1.629 -1.092 0.372 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 5.049 -0.074 -1.231 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 21.479 -1.135 -1.578 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 -3.027 -0.219 6.306 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 -7.976 5.208 3.298 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 -11.910 1.141 -14.365 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 -3.638 1.540 1.052 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 -1.040 6.075 18.172 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 -1.026 8.441 22.057 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 -1.315 1.287 7.691 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 11.262 6.727 0.638 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 -7.652 -0.744 12.172 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 -3.024 1.381 -0.506 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 24.275 13.000 -15.071 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 -17.831 0.379 -6.670 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 8.436 -4.664 -5.751 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 -6.789 0.339 -9.041 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 14.755 7.549 3.636 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 -2.194 -0.251 -6.023 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 1.960 -19.564 8.786 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 -17.997 11.750 15.340 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 3.918 -3.159 -3.794 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 -3.394 -7.025 -4.911 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 8.716 -1.283 -2.643 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 2.056 0.219 -3.062 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 -4.131 8.342 -12.015 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 -4.007 -13.391 -10.619 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 -4.907 3.221 1.593 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 -11.448 -8.511 -30.961 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 -8.019 -9.663 -22.682 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 1.933 0.524 -6.443 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 5.160 22.788 0.236 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 14.543 -11.089 4.580 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 -0.798 3.860 10.098 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 -10.132 5.459 1.308 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 -2.673 -2.251 16.037 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 -6.290 3.708 2.183 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 -9.639 -2.441 -7.852 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 -2.917 -6.113 9.093 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 0.361 -9.830 2.293 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 -9.647 -0.367 2.558 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 6.699 -12.233 -27.107 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 0.158 0.073 -3.452 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 5.263 -10.369 -12.652 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 -8.987 -4.051 4.602 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 -1.805 -1.498 -6.930 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 -8.177 5.153 -9.612 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 -8.392 -0.470 22.967 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 -0.767 -1.159 5.757 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 -17.325 17.158 6.800 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 12.924 0.435 -16.031 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 1.866 -1.378 4.269 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 1.287 29.864 4.973 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 9.378 -3.684 -13.766 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 6.831 4.535 0.243 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 4.691 7.662 -3.370 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 7.283 5.050 2.011 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 -1.005 -0.935 -2.513 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 -0.780 -1.740 -15.234 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 -5.232 -3.219 2.003 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 7.989 -1.939 -5.946 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 16.939 23.684 1.305 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 3.527 3.697 0.811 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 -0.690 -6.336 1.230 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 2.951 -3.454 8.262 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 16.874 -0.363 -6.028 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 5.105 5.014 6.108 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 10.915 4.383 -1.827 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 7.080 16.391 -18.529 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 1.752 6.314 1.338 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 0.132 -25.399 -6.393 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 15.337 -13.952 -3.556 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 -2.589 -2.559 2.014 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 -19.261 2.794 10.777 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 -1.793 9.198 -0.610 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 -4.765 -7.815 -1.735 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 -4.712 -8.305 16.204 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 6.317 -1.972 5.828 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 -4.547 0.827 3.120 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 4.074 11.646 32.813 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 20.976 -19.672 -4.261 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 5.276 3.501 -6.389 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 3.879 22.897 -16.165 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 -4.121 -9.683 -12.981 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 3.789 1.020 -3.923 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 -13.270 5.932 -4.978 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 1.040 -27.120 -4.526 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 -0.350 -0.015 1.205 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 -2.900 -12.675 -5.751 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 3.253 -9.850 -2.789 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 -1.576 3.869 -0.577 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 -14.104 4.903 2.363 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 4.430 2.677 5.113 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 -1.857 3.020 0.302 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 6.056 -23.361 -2.977 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 4.903 -11.671 20.637 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 5.788 -3.064 -0.302 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 0.332 -9.879 -12.496 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 12.019 -1.830 5.422 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 1.666 3.553 5.342 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 15.864 -1.648 -0.420 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 -5.139 12.098 -6.894 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 -0.276 -0.973 0.373 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 -1.381 0.914 18.683 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 20.431 7.319 11.254 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 5.023 -3.030 -4.481 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 20.857 -3.401 4.221 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 -6.094 10.491 8.582 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 1.665 -3.579 -5.016 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 12.541 -15.446 -2.127 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 0.535 -2.383 -5.621 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 0.129 2.866 -4.767 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 -5.748 6.812 -10.432 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 9.662 -1.029 3.977 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 7.208 4.968 -1.040 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 18.028 -19.739 -3.877 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 -3.184 26.318 2.320 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 6.157 5.189 6.256 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 9.721 2.623 5.909 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 6.202 15.721 7.506 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 -2.502 -2.368 4.715 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 1.693 7.106 6.820 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 12.777 0.015 9.921 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 3.708 1.020 -0.437 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 0.330 4.327 -2.423 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 8.720 -1.104 -1.129 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 2.129 -1.154 -9.364 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 -4.486 -0.793 -6.226 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 -36.106 -8.945 1.818 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 -4.410 4.172 -0.820 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 -3.719 30.171 11.249 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 -17.774 11.008 -21.067 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 -2.353 -4.726 -0.945 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 3.845 0.280 11.157 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 -10.062 -3.635 3.908 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 -2.096 1.243 -2.189 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 -9.035 4.501 7.323 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 -9.781 11.610 12.020 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 1.255 -4.459 -5.083 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 -8.896 -15.702 -8.986 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 10.458 8.392 5.886 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 1.827 1.761 -7.994 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 -14.098 -12.111 1.253 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 -5.123 -4.194 -3.847 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 -1.292 0.476 -6.024 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 -0.522 -14.318 5.063 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 15.025 5.708 -7.927 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 1.794 -4.381 2.637 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 -13.859 -7.882 -12.124 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 -8.278 -11.534 7.634 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 -3.149 1.185 9.357 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 14.483 2.334 16.617 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 -9.165 -5.926 0.898 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 1.291 1.136 -5.285 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 5.648 0.512 5.590 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 14.787 2.547 -7.989 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 -0.466 3.171 -5.099 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 4.023 -6.153 8.346 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 4.395 -4.225 -1.345 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 -2.646 3.935 3.306 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 -36.070 -3.783 -27.867 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 -0.322 11.526 15.090 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 -1.043 3.022 -1.783 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 -7.084 -2.030 6.612 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 4.450 8.341 -8.548 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 -1.122 -2.573 7.021 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 7.808 -9.313 14.966 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 -11.651 6.993 -0.838 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 -5.602 -2.176 1.009 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 -25.002 33.966 -15.891 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 -9.796 1.407 -4.329 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 5.589 -2.357 0.091 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 0.591 1.661 7.048 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 -2.318 -10.384 10.685 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 -1.361 1.695 3.559 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 4.198 19.394 10.144 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 1.970 -2.418 2.175 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 5.208 -4.814 -0.958 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 -17.362 5.408 2.252 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 7.565 4.108 -21.845 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 1.951 2.378 -4.515 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 -2.377 3.361 -6.611 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 -4.730 16.804 -10.950 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 -3.649 -3.397 2.770 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 -11.672 -12.381 -8.101 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 -11.433 -2.973 -1.061 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 2.594 -5.210 2.363 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 -6.371 -1.044 0.933 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 6.107 -10.098 2.107 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 -5.570 -7.561 3.238 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 8.039 -10.711 18.767 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 29.830 2.154 6.598 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 -3.913 3.102 3.820 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 2.541 5.680 -3.010 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 3.532 -5.193 -8.180 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 0.481 -4.382 -0.160 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 -6.388 8.141 18.943 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 -1.715 -3.018 23.196 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 2.446 -3.255 1.061 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 1.719 -4.218 -0.528 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 10.922 2.056 -26.549 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 0.114 2.464 2.292 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 15.493 6.038 6.105 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 -1.391 -3.084 -11.870 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 1.149 10.281 -2.554 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 -19.246 27.057 -7.820 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 -10.037 3.516 -13.743 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 -3.473 -4.908 2.621 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 0.311 10.674 -0.080 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 10.445 -15.380 9.624 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 -2.862 0.365 -5.222 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 19.041 1.600 -7.490 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 29.111 -5.897 -10.292 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 -1.418 3.999 -5.080 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 6.157 7.946 4.213 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 -3.391 3.190 -9.724 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 -2.251 2.842 2.733 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 10.050 2.968 2.166 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 -11.818 16.686 15.131 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 -3.718 -0.136 6.302 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 -17.244 4.306 3.634 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 6.187 0.710 9.579 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 1.355 4.949 3.111 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 -6.636 1.316 16.558 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 -0.697 4.391 4.336 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 1.445 0.609 -4.703 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 2.636 -2.798 -0.024 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 -10.150 1.899 6.064 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 -3.103 -1.907 -0.949 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 -6.752 0.681 -2.992 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 -6.606 2.002 -3.325 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 4.148 -1.722 0.672 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 4.995 1.190 -5.118 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 2.796 -2.734 1.888 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 2.343 0.663 -0.986 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 4.160 0.169 -2.927 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 1.150 0.349 2.032 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 -5.076 0.546 -1.808 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 -19.752 21.173 -38.461 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 -21.401 18.515 33.363 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 0.649 0.673 -6.003 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 14.270 -4.342 1.214 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 -31.150 4.440 -4.438 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 0.318 1.272 -8.978 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 0.779 -0.111 -3.409 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 -9.224 8.223 -18.768 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 2.032 -1.255 3.791 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 -2.565 -6.248 4.887 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 1.910 3.936 -13.115 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 -5.872 -1.798 -4.225 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 -13.957 8.692 -9.236 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 -14.914 -14.308 10.172 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 3.874 -0.730 -2.688 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 6.934 -9.154 6.499 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 -14.065 -3.248 -2.578 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 1.286 2.299 1.293 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 -8.617 17.761 3.535 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 7.850 3.997 7.686 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 0.119 -2.934 -1.964 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 -7.534 -7.830 3.615 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 12.228 -12.578 9.295 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 -1.323 6.572 4.553 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 11.138 5.803 7.618 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 27.281 33.697 8.682 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 -1.094 7.087 -7.219 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 -5.959 -4.036 -2.080 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 -8.322 -8.622 -4.009 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 3.483 4.054 -3.137 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 11.529 17.532 -1.304 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 -17.644 -5.044 15.211 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 6.765 -2.574 6.423 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 7.279 -2.655 6.549 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 0.828 -2.879 2.688 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 -0.718 -4.994 -4.590 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 -24.136 2.180 -5.183 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 26.478 -3.233 2.419 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 1.457 -2.777 -2.643 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 3.273 0.220 5.797 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 29.899 2.701 8.434 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 -2.794 10.247 -3.317 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 -13.299 2.260 12.819 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 -2.147 16.018 1.087 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 -0.393 -1.614 -0.118 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 6.104 7.600 3.694 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 1.842 9.818 17.208 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 6.565 5.409 -2.312 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 -4.000 5.219 -1.017 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 -19.778 -0.848 19.377 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 -4.018 -4.720 -1.174 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 -25.634 -12.525 -0.044 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 10.833 12.956 16.168 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 1.982 3.707 3.742 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 3.383 13.857 14.504 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 1.437 -24.532 -3.486 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 2.260 -0.849 2.084 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 4.388 0.209 3.932 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 5.488 -6.018 12.451 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 2.076 10.392 -0.096 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 11.953 5.699 0.070 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 -3.992 -19.519 22.633 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 -0.795 2.209 4.202 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 2.801 -9.993 -7.571 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 -0.825 -4.028 -1.324 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 -5.211 4.277 -1.290 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 -8.025 -2.559 -1.584 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 -6.251 14.061 0.536 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 2.776 0.759 -1.673 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 -9.679 4.425 -13.206 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 1.854 17.971 -3.074 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 -2.718 -6.093 8.100 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 0.737 -13.366 7.521 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 -6.080 -6.108 11.968 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 0.416 -6.369 -1.706 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 0.110 -6.901 -13.830 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 3.876 1.785 7.400 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 -7.189 -3.770 3.012 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 -2.595 10.579 -10.211 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 -9.042 -23.658 -10.465 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 -2.111 2.350 -0.727 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 -23.850 -1.652 7.569 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 28.327 17.890 -12.176 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 -2.446 -1.683 6.911 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 -11.403 6.404 5.797 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 0.091 -3.871 12.335 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 -1.653 2.643 -8.578 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 3.154 7.547 1.170 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 -0.518 -1.709 -26.254 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 2.941 1.612 -1.905 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 1.209 -2.368 -4.558 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 1.467 -11.382 -4.445 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 -2.993 0.158 -4.999 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 -6.010 -3.358 13.630 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 14.547 -8.149 -8.250 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 5.059 4.376 -5.447 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 17.796 -10.392 10.655 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 20.899 -14.429 -5.404 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 1.192 1.219 5.482 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 -10.491 10.078 8.772 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 18.127 -10.587 0.986 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 3.140 3.624 -0.152 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 -3.357 -6.528 -8.326 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 9.510 12.501 -8.955 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 -1.754 0.594 1.831 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 -1.408 -8.617 5.908 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 4.017 -1.010 -7.298 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 -2.828 0.246 1.727 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 -23.374 20.795 9.234 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 30.074 5.088 -13.198 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 4.929 3.121 0.517 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 20.028 9.780 -9.189 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 0.081 -0.892 3.830 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 -3.898 -3.734 -4.403 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 23.666 2.988 -7.580 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 17.526 3.539 -7.188 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 4.108 -1.844 2.603 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 -5.630 -21.210 17.923 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 -0.701 29.197 17.516 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 1.166 -1.060 -5.465 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 22.474 -14.662 6.537 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 6.524 -4.440 -42.375 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 -5.167 7.290 -4.424 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 13.867 1.950 -11.563 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 -2.913 -0.525 -10.575 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 -3.732 -9.157 5.214 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 -4.805 -14.293 -8.766 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 -8.645 -2.792 -16.086 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 1.447 -2.868 -2.529 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 2.788 4.141 10.540 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 1.950 3.981 9.424 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 -6.857 -4.550 1.410 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 -14.404 -9.018 -8.692 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 -1.655 -9.178 14.580 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 -1.786 -2.017 0.420 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 -6.646 -23.234 3.333 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 -1.394 11.697 -0.902 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 3.959 -2.015 -2.506 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 13.381 -20.756 0.721 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 3.952 4.458 -23.479 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 -0.241 0.574 0.830 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 -8.101 -4.076 -3.535 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 -3.713 -8.268 12.574 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 -3.907 5.714 -3.240 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 -14.608 4.746 4.903 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 -1.147 3.072 -19.988 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 3.257 4.363 0.809 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 16.069 6.563 -19.155 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 -16.703 -17.662 25.403 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 0.098 -2.985 -1.925 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 -0.446 19.662 30.679 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 -21.617 3.617 40.323 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 -1.918 -2.028 2.734 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 -11.054 -8.192 5.434 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 0.962 -4.581 16.752 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 -1.581 3.649 3.649 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 -3.919 11.322 0.448 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 9.103 -1.512 7.111 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 1.365 -0.764 -1.074 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 26.914 -10.190 -11.681 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 10.352 -10.594 -8.678 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 -0.240 -10.499 -4.121 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 -1.217 -26.958 -27.363 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 17.916 9.065 -1.712 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 7.644 4.885 -3.883 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 9.202 3.643 19.595 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 9.013 8.972 -11.295 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 -4.020 0.454 5.251 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 -2.362 -5.471 0.864 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 -3.865 -1.399 12.652 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 -1.010 -1.259 -3.797 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 13.310 12.269 7.846 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 -14.541 -14.808 -11.555 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 -4.738 -1.915 3.987 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 10.392 -0.450 9.809 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 10.929 7.737 5.920 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 -1.780 -4.743 -4.603 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 -0.349 4.695 4.678 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 -6.058 -17.138 -20.059 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 -2.459 3.880 1.314 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 -12.316 3.831 0.019 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 -3.106 9.243 0.054 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 -9.267 -3.761 4.538 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 8.458 7.333 1.360 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 7.485 3.984 2.619 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 -0.700 5.605 -1.952 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 -2.042 1.291 -0.540 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 -4.457 -3.599 5.534 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 8.353 3.460 -0.447 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 11.997 -0.317 -4.440 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 28.372 32.959 -12.607 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 2.251 4.571 1.909 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 -0.576 3.764 -0.652 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 7.194 4.586 9.740 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 -0.322 4.330 -1.824 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 -3.255 -20.674 3.076 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 2.626 8.491 -32.986 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 -0.167 6.788 -0.703 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 4.851 2.372 -1.376 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 3.496 4.109 -0.725 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 1.312 4.708 -0.551 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 5.186 -3.642 3.354 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 -30.281 5.403 -7.090 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 -0.749 2.148 0.270 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 -0.522 6.357 0.391 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 11.786 -4.553 -6.609 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 -0.978 1.066 -0.283 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 -14.562 15.921 -13.631 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 14.223 29.837 -17.298 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 8.802 -0.848 4.263 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 11.924 1.399 -26.308 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 5.539 8.690 17.782 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 -4.262 1.971 -5.168 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 -11.072 11.231 8.446 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 18.383 -10.431 29.589 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 4.096 2.435 13.035 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 10.112 -12.675 -10.585 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 10.243 36.464 -22.067 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 2.710 4.976 -1.413 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 7.596 -0.309 7.072 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 -4.580 4.258 -28.300 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 -7.031 -1.300 2.453 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 3.290 10.482 -3.221 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 8.968 11.544 -9.393 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 0.751 -0.690 0.140 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 -13.017 14.444 16.292 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 6.850 8.482 -10.242 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 1.544 1.558 2.742 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 7.497 -7.306 -8.092 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 -2.813 7.895 13.146 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 1.228 3.316 1.971 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 28.987 16.500 2.375 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 -0.308 -2.590 -11.694 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 2.284 2.012 -1.356 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 -5.635 24.649 1.299 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 2.964 4.606 4.016 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 8.354 3.807 6.856 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 3.810 9.451 -22.545 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 20.400 4.316 -7.092 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 3.632 1.569 1.604 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 16.742 19.239 4.597 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 -3.088 15.686 -7.494 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 1.470 1.708 1.783 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 13.331 15.709 -7.010 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 15.533 -2.547 7.044 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 2.800 2.187 -1.269 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 0.302 1.948 -2.807 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 1.291 2.496 -5.990 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 2.561 2.576 3.618 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 -22.785 -5.297 1.887 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 -28.487 1.500 -8.262 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 7.279 1.347 3.894 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 -17.314 5.341 -2.821 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 16.985 -10.681 9.330 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 4.123 1.494 -3.172 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 3.407 -3.963 16.516 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 -8.794 -20.127 -4.666 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 -5.153 -9.117 8.900 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 -16.349 -0.769 5.002 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 1.576 -11.390 11.912 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 -3.257 -0.853 0.594 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 -0.074 -10.570 -4.521 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 -6.844 11.364 -11.841 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 1.969 -2.220 -5.077 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 10.254 -18.650 -13.347 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 3.218 -5.724 -7.806 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 4.397 4.625 -0.149 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 2.425 14.312 -5.948 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 7.576 11.970 6.988 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 -0.555 -4.129 -0.274 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 -1.449 6.302 1.281 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 -6.170 -8.539 4.819 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 1.384 4.659 -0.956 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 0.768 -1.193 -4.915 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 2.249 -0.286 -3.501 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 -2.465 0.312 -2.943 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 12.317 1.313 -11.044 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 -14.049 4.150 6.978 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 0.586 -1.246 -5.281 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 -6.032 15.870 -21.238 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 23.926 -5.978 -14.908 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 -1.585 -1.706 2.632 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 11.932 -5.068 12.282 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 -32.167 3.670 -13.821 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 -1.128 1.819 6.934 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 1.032 2.990 -0.349 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 0.503 -7.295 2.075 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 -6.605 2.630 -1.233 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 -2.336 -5.055 4.922 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 9.845 15.707 7.809 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 -0.355 4.582 1.836 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 23.657 -4.805 6.682 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 7.498 -2.979 0.228 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 -0.782 5.644 -4.178 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 -18.916 7.255 -14.556 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 2.473 4.933 -2.698 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 4.431 -4.733 -0.228 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 14.286 -32.735 0.500 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 39.051 -24.051 9.127 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 -6.845 3.969 5.536 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 -3.514 18.577 1.088 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 6.202 1.791 -1.331 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 -3.345 4.276 1.489 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 2.405 -7.940 11.796 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 5.679 -0.865 -19.816 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 3.704 3.357 5.518 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 -24.032 -15.405 -4.649 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 -6.509 4.134 -9.901 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 4.297 7.977 0.582 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 -2.224 12.411 2.894 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 0.129 12.712 -0.643 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 0.394 -8.288 -0.864 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 -7.091 10.593 -29.840 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 19.266 -22.594 -12.151 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 -3.356 6.655 0.211 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 13.720 -8.464 1.383 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 6.985 2.319 -12.403 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 0.967 1.002 6.214 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 10.962 2.664 8.513 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 -6.597 1.226 13.405 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 3.987 -4.763 -1.082 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 -3.187 21.164 -4.550 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 0.702 -0.989 -10.725 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 0.688 -1.290 -4.976 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 -21.330 13.958 15.801 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 -15.290 5.116 -16.432 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 1.161 -2.121 -5.679 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 16.677 -0.430 -2.959 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 -11.047 -13.692 1.014 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 0.677 -1.768 -2.356 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 -0.809 -3.634 -4.925 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 6.634 -8.072 22.240 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 -2.760 0.176 -2.938 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 -4.894 -10.069 -10.271 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 -5.174 7.448 -7.574 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 -4.324 4.708 0.055 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 15.530 19.321 2.471 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 -28.386 2.883 -5.695 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 -3.066 -3.391 -0.919 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 -25.509 -10.631 -19.402 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 -19.672 21.586 -10.976 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 -2.001 5.116 1.355 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 0.591 7.401 -1.897 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 1.373 -0.684 3.402 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 -0.252 0.843 -2.849 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 20.829 15.815 -0.621 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 -0.178 -12.430 -9.959 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 1.861 -5.449 -1.130 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 8.109 1.544 4.306 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 -20.038 7.381 -8.672 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 -3.199 6.710 -4.592 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 -2.400 28.613 11.897 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 -7.170 -15.663 11.525 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 1.652 -0.004 -0.265 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 2.093 -1.533 5.115 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 0.678 -2.008 -1.445 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 -2.795 0.708 3.041 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 -3.997 -5.417 -12.865 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 7.755 19.208 3.188 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 -4.286 -0.880 1.601 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 -10.811 -7.576 0.550 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 -1.367 0.365 3.063 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 -0.519 -1.354 -1.317 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 28.031 6.207 -11.311 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 17.232 -22.650 14.443 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 -0.603 -4.000 -2.287 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 1.072 -1.584 -0.407 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 -2.268 -5.172 -1.959 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 2.859 4.962 0.892 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 -7.687 21.036 -9.603 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 12.458 9.042 -7.518 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 5.615 0.161 -0.523 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 1.552 -13.788 -8.546 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 15.545 -6.920 9.595 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 1.641 0.699 3.328 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 4.737 3.190 -8.367 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 -5.204 -11.559 -8.934 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 -5.517 -2.714 -2.948 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 -1.404 -0.314 7.130 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 9.764 1.120 -3.975 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 -1.655 -8.983 -6.303 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 3.388 -7.551 13.920 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 -1.642 -14.009 -0.401 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 3.757 -2.488 -6.947 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 -11.231 5.311 8.312 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 -12.213 7.189 4.358 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 -0.443 0.165 -2.125 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 -0.154 0.232 -4.914 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 2.332 -1.497 -1.639 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 3.652 3.180 5.134 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 -3.753 11.856 3.739 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 -0.254 9.591 6.796 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 0.958 0.307 -3.585 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 -11.658 6.888 39.058 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 33.292 30.310 -10.216 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 -5.160 -2.655 5.750 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 1.504 -14.586 28.666 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 -3.653 0.217 7.080 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 5.321 2.726 1.575 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 12.559 -2.932 -18.551 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 -2.916 23.371 -1.974 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 -2.152 2.443 1.264 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 -9.150 -2.133 5.562 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 -11.079 -6.928 -3.005 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 -2.221 1.183 0.265 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 -13.342 7.834 6.732 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 -3.821 8.534 18.346 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 -2.605 -7.126 2.308 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 -8.647 -8.116 13.673 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 -8.117 1.716 -3.378 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 4.571 -0.081 5.647 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 7.790 -9.343 6.159 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 -4.448 0.374 12.516 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 -2.572 -0.542 -2.724 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 20.658 -19.142 0.122 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 4.160 1.293 -26.184 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 -5.605 9.289 -2.955 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 -17.026 1.271 -4.540 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 -3.373 2.515 -10.557 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 -1.100 5.679 -5.798 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 6.315 0.556 24.538 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 -24.569 -14.303 2.962 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 -7.260 7.658 2.463 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 0.867 -16.842 9.365 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 -13.336 19.228 -4.494 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 4.753 -0.815 4.624 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 11.843 4.932 -7.807 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 33.578 -7.886 2.044 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 -4.846 5.681 4.374 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 -10.686 8.088 6.427 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 3.355 8.887 12.461 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 2.675 0.485 0.471 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 -7.992 -11.164 4.811 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 8.413 -2.673 6.443 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 -1.957 -0.761 8.890 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 1.991 3.432 6.468 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 4.491 7.067 4.704 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 3.665 5.098 0.113 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 2.668 18.526 8.548 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 14.990 2.985 17.357 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 3.909 4.409 8.156 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 17.928 0.614 -6.618 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 2.700 15.899 17.845 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 0.448 5.120 -0.875 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 8.310 -7.778 1.234 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 1.565 -4.804 -1.657 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 2.248 1.518 5.497 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 -22.625 1.674 -26.581 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 14.733 8.659 27.381 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 4.979 -2.031 -4.110 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 -19.843 -16.934 8.485 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 -2.100 7.313 5.900 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 -5.400 1.490 -0.921 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 -5.780 1.201 -0.424 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 9.731 -13.055 2.092 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 -1.158 -4.171 -2.485 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 -3.969 19.522 -12.163 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 -1.461 -7.444 -0.649 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 1.112 2.880 2.633 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 -5.927 18.326 -8.844 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 6.065 -6.689 9.961 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 -1.039 -3.006 -2.595 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 -5.074 -12.313 18.181 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 5.325 9.156 -1.830 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 -1.953 0.320 -2.269 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 -2.518 16.871 -4.690 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 9.550 -10.588 -3.812 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 -2.985 -6.063 4.245 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 2.973 12.554 -29.431 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 -8.283 -1.897 11.264 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 3.272 -5.944 -2.370 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 0.520 -0.564 -13.893 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 7.710 -2.810 -6.524 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 -1.613 0.993 2.004 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 26.351 8.595 37.514 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 5.258 6.879 28.845 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 -4.918 4.212 1.894 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 -9.155 2.211 27.288 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 -4.693 5.095 -6.395 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 3.336 -1.439 -3.433 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 22.617 -38.087 20.820 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 0.661 29.411 9.900 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 -6.625 -5.636 -2.912 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 -15.695 -7.161 14.248 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 -7.044 -3.922 -7.419 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 -1.065 0.697 7.626 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 -0.323 -10.259 -2.427 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 11.668 16.118 22.789 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 9.830 0.218 1.135 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 9.189 0.540 -17.805 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 6.818 -16.724 6.516 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 -0.494 0.705 -0.813 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 5.870 4.692 9.171 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 -12.607 3.613 -15.565 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 -0.796 1.617 7.625 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 7.536 14.256 -9.030 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 13.278 -4.608 -0.009 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 -2.131 -1.562 -2.546 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 -2.027 -14.927 3.957 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 -7.979 1.177 -7.051 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 -1.224 1.042 -0.935 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 -1.741 5.910 1.537 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 -3.348 26.345 10.836 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 1.428 4.923 1.495 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 -14.930 -1.352 -20.232 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 0.690 4.097 7.385 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 -5.668 4.121 2.502 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 0.755 31.708 -13.299 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 22.240 -9.881 -6.942 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 2.271 1.578 -4.753 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 14.418 -1.108 -3.874 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 -4.312 0.782 -16.698 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 4.058 7.753 8.895 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 22.553 14.175 -6.027 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 -9.422 4.191 14.985 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 0.886 2.949 1.438 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 4.525 4.932 -0.971 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 -2.358 2.025 9.442 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 -2.473 5.708 5.503 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 0.870 25.426 16.267 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 8.801 -13.733 11.522 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 3.946 10.421 -3.574 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 -12.814 -37.955 4.252 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 1.328 -4.725 -20.194 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 -7.448 -4.230 -0.344 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 -2.745 -17.762 11.481 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 5.511 -4.692 11.812 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 -1.876 -0.869 2.286 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 -2.568 4.871 3.332 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 3.648 15.808 -10.336 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 -1.004 6.195 0.179 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 2.591 6.659 5.698 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 -16.077 3.350 -21.964 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 1.825 -0.565 -1.755 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 17.653 5.152 5.619 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 15.591 2.872 18.282 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 -1.534 -4.759 -4.075 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 4.233 -20.334 5.286 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 16.442 4.673 4.255 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 -0.976 5.979 -5.233 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 -2.470 1.056 4.424 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 -2.197 25.901 42.833 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 0.209 8.785 -8.417 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 4.963 -1.853 -6.479 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 -13.948 17.217 -9.236 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 1.180 -2.852 -7.529 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 15.049 -4.918 -1.489 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 -9.438 -12.679 4.641 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 -0.357 1.590 -3.386 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 -10.151 10.179 -0.910 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 11.151 -4.423 -2.946 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 -2.017 5.810 -0.007 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 12.410 14.985 -25.775 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 -3.961 14.575 8.480 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 -6.805 2.043 2.121 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 7.827 19.854 4.321 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 0.181 -4.542 4.017 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 -0.101 0.548 -4.988 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 31.811 12.125 -26.331 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 12.122 -10.877 -14.534 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 -2.304 5.822 4.515 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 14.315 2.484 -0.070 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 14.651 -2.717 -2.245 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 5.807 2.645 9.973 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 10.824 -2.517 -15.902 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 -17.769 4.227 8.007 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 -8.380 2.293 -3.565 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 -8.779 -3.234 -16.782 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 -3.154 5.908 4.697 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 -0.926 2.212 -4.217 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 2.367 7.401 38.041 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 -1.379 -1.298 -3.262 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 -3.897 7.964 -3.280 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 1.121 1.143 -7.948 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 -0.420 5.429 2.966 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 5.787 8.006 1.121 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 -17.473 -25.363 4.647 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 -2.100 -12.222 3.984 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 1.453 -1.012 -4.014 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 23.529 -1.775 -3.956 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 30.213 -10.681 5.317 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 -0.282 1.679 -2.258 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 -13.161 5.676 -15.772 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 -12.167 -10.492 -6.527 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 -3.074 -6.222 -2.791 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 18.204 -11.923 2.572 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 -19.006 -3.666 17.496 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 -1.521 -4.579 -1.571 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 -11.950 -6.493 -2.009 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 16.905 -24.740 -10.746 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 -1.666 5.839 -2.666 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 4.162 8.915 11.131 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 6.921 1.837 0.619 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 -4.968 4.144 0.222 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 -3.371 18.676 19.225 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 -7.589 -8.054 -17.823 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 4.493 -0.243 -2.054 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -10.682 0.118 -4.707 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 4.888 14.105 -23.392 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 2.473 -3.240 -6.605 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 4.177 12.538 9.823 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 2.571 -8.722 -11.172 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 1.527 5.119 3.112 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 22.032 13.527 -10.008 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 9.963 5.842 0.357 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 5.634 1.436 0.750 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 16.463 2.230 -17.297 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 15.143 14.710 17.383 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 2.913 1.659 -0.650 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 -1.417 1.486 6.428 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 2.269 3.122 3.573 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 -6.714 0.701 3.625 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 -13.159 -1.145 6.126 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 -7.400 -5.436 -1.665 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 3.679 -4.963 -5.886 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 3.277 -5.766 -10.769 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 4.488 -5.277 2.960 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 0.230 -0.519 2.171 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 20.585 7.495 15.917 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 -16.148 -27.713 11.098 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 1.849 3.787 6.393 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 5.939 -10.192 15.490 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 -8.134 2.196 19.917 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 -0.563 -2.025 -1.218 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 1.848 -4.770 -4.541 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 8.861 -19.648 -3.385 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 -2.344 0.243 2.068 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 7.433 17.556 -13.027 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 34.311 24.976 -0.763 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 -0.597 0.448 -0.683 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 -5.284 -10.618 -14.032 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 -5.082 -12.344 -12.731 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 0.159 0.570 -4.100 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 -7.933 12.022 -8.281 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 4.072 19.048 -8.977 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 -3.061 -1.304 2.728 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 3.187 -4.081 1.543 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 -6.167 5.926 2.952 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 -4.971 -2.911 -0.813 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 -3.586 4.438 8.688 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 -0.915 -7.168 -6.437 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 4.140 3.869 1.977 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 5.904 -6.015 12.832 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 13.700 -9.524 4.461 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 1.880 7.799 -5.237 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 30.648 -12.822 0.790 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 -2.926 9.561 -17.052 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 1.920 0.522 0.520 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 0.831 -21.677 14.335 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 -0.805 11.519 -18.050 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 -4.410 2.043 5.719 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 1.491 -5.146 -7.929 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 -12.842 4.483 1.280 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 -0.818 -9.634 3.985 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 -21.464 3.475 23.420 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 32.322 -11.328 -19.309 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 4.232 4.412 8.481 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 -18.191 -6.980 -21.397 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 -5.945 1.890 -2.366 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 -5.926 2.625 -1.080 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 0.955 0.079 -3.833 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 0.832 1.662 -0.492 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 -2.300 5.578 -0.999 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 -21.191 -2.076 -5.083 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 -13.873 -15.978 11.987 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 -5.260 -2.895 -0.133 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 -7.673 -15.303 11.883 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 -4.111 8.309 -7.619 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 -0.600 3.806 -1.721 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 3.864 -3.517 6.198 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 30.793 -2.468 23.108 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 1.472 -2.483 2.334 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 4.035 -4.460 11.071 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 -7.473 -2.399 3.150 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 7.560 -1.967 -9.661 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 7.568 -4.196 -6.713 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 14.183 -19.598 9.346 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 -6.719 -1.309 2.521 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 -10.448 21.902 -10.967 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 14.100 -11.077 2.745 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 2.965 2.097 4.587 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 7.243 -14.520 -7.629 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 -23.295 -15.161 -0.195 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 3.439 -1.867 -1.850 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 7.941 20.748 0.468 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 -2.089 -4.610 2.977 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 -2.040 -0.375 3.498 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 6.432 -6.219 -5.064 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 5.515 0.143 6.135 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 9.391 1.261 -3.616 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 7.940 -2.940 3.293 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 7.193 -8.038 11.419 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 0.248 4.468 4.217 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 -5.570 17.984 4.152 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 -1.527 -15.577 5.996 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 1.970 3.325 4.109 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 21.098 -9.927 2.847 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 -11.426 13.848 6.099 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 5.770 0.068 1.700 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 18.155 -5.400 -6.005 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 -13.051 7.012 13.933 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 2.393 2.502 -0.857 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 3.041 -8.277 5.248 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 -3.755 18.617 7.799 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 1.791 2.250 -0.879 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 10.970 25.043 9.898 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 -18.908 -21.312 20.126 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 -3.871 -2.782 1.639 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 12.553 1.563 -14.807 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 -2.179 -4.273 1.146 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 2.774 1.683 0.506 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 3.416 3.775 0.788 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 -6.303 4.461 1.434 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 -1.389 -1.806 5.209 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 -14.681 -8.505 9.760 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 1.678 -4.963 -4.393 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 2.544 -0.463 -3.427 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 24.931 -0.267 15.855 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 -1.802 -3.025 27.749 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 5.033 -5.398 -2.220 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 -16.573 5.042 -16.717 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 -7.275 -0.066 9.923 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 2.259 4.236 -7.047 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 0.933 3.475 -5.156 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 4.771 5.389 -11.201 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 1.997 1.437 6.055 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 -1.491 -0.176 5.696 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 14.191 16.150 4.799 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 0.287 3.028 4.941 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 2.724 20.148 13.786 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 0.499 4.309 4.354 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 0.830 3.871 -4.505 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 -16.108 13.562 -16.938 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 11.991 3.063 -2.927 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 -3.416 5.513 -3.217 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 -4.701 8.809 2.309 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 -12.440 4.378 15.067 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 -7.313 1.617 0.521 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 2.282 -3.770 17.831 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 -10.733 16.884 -1.330 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 -10.742 -6.591 1.518 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 -9.434 -0.851 -2.513 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 -16.515 -20.529 10.325 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 2.031 -4.482 -0.517 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 10.649 -0.424 -16.599 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 11.666 -13.380 -12.339 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 4.098 0.724 -5.171 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 -7.233 15.649 5.105 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 23.332 1.813 4.946 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 -2.260 1.906 4.402 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 -5.125 -7.608 28.624 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 4.009 -18.402 -5.523 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 -6.616 -3.076 -3.143 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 18.295 4.654 -9.710 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 2.429 -6.354 -2.466 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 -3.543 3.887 -6.513 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 -23.214 -9.938 -0.186 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 1.804 -5.165 -26.722 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 8.928 6.073 -1.720 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 6.022 8.051 -2.560 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 10.203 2.903 4.007 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 4.270 8.470 -0.388 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 4.486 15.371 -9.138 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 1.503 6.424 0.434 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 3.330 1.089 -0.783 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 11.217 5.962 -0.206 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 -1.747 5.639 -6.584 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 -4.486 -0.159 -3.391 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 8.215 21.717 -0.235 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 2.056 0.129 -22.140 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 0.668 -0.814 3.541 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 -8.034 -3.401 2.231 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 -1.406 4.425 8.289 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 1.152 4.853 2.355 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 -5.797 4.021 3.524 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 7.837 -9.789 5.039 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 9.112 0.125 -0.130 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 3.276 -4.859 12.615 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 20.351 -5.940 1.085 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 5.526 -4.590 -1.838 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 9.402 -3.228 0.173 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 -12.909 -12.161 -9.661 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 -1.251 1.074 2.370 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 7.009 -1.618 2.059 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 2.054 -10.148 -2.120 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 2.029 4.788 2.123 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 16.834 -2.205 2.169 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 -5.205 -0.046 -3.694 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 0.809 -2.697 0.243 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 -5.890 -8.760 1.162 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 -6.602 -0.214 -1.851 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 -1.319 -1.152 -3.284 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 -0.982 10.859 20.826 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 -23.004 -2.264 -5.878 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 -5.833 1.736 -3.569 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 -8.129 -1.968 -14.819 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 3.750 4.655 -10.259 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 -6.362 -3.594 -2.855 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 -8.488 -7.356 -4.619 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 -16.169 3.253 11.229 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 -0.456 3.011 -5.448 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 -9.540 -3.908 -15.735 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 -7.190 7.423 -9.319 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 3.688 -0.681 -7.023 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 -13.469 6.536 -9.574 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 6.661 -5.783 -24.490 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 2.964 -5.183 2.808 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 25.285 10.875 20.620 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 -14.200 -35.190 -15.890 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 -1.281 -2.882 -1.362 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 -16.293 -16.352 -6.466 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 8.612 -14.680 -1.750 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 -0.679 -3.006 -1.492 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 -1.138 -17.994 2.633 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 -0.476 2.187 4.563 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 -7.162 3.800 -10.196 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 -19.134 1.449 -6.607 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 3.386 5.595 -12.435 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 1.011 -5.491 0.400 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 -6.102 -6.778 3.956 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 -0.454 -10.306 9.518 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 0.323 2.677 5.759 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 -18.333 14.247 2.518 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 -1.066 5.959 14.682 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 -1.164 0.635 -0.056 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 -0.993 5.657 1.434 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 0.972 -1.707 0.077 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 -0.252 2.700 3.894 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 15.678 1.375 -4.845 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 -14.737 -5.329 -10.901 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 3.034 -1.430 -5.644 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 9.150 25.807 26.396 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 -6.458 1.371 -4.450 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 -3.055 -3.113 -3.696 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 -6.913 -0.088 -1.846 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 -9.538 0.484 5.823 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 2.963 -2.781 -2.260 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 13.555 -6.100 1.534 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 8.477 8.662 -7.570 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 0.817 -0.467 2.313 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 18.327 1.317 -8.733 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 6.277 -0.554 -11.311 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 -3.454 -4.684 -0.831 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 -16.710 16.027 11.929 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 -13.195 -30.117 16.196 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 6.501 2.109 9.120 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 0.959 -10.908 14.732 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 7.371 8.786 5.270 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 4.993 1.758 -6.072 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 3.662 12.169 -11.556 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 5.378 -19.981 1.771 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 0.515 2.763 0.926 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 -7.276 -5.431 -5.487 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 12.205 19.872 -8.970 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 2.368 2.024 -8.072 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 -6.802 0.428 -15.438 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 13.313 16.018 -34.009 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 -6.397 5.210 1.875 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 -14.766 11.147 12.850 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 -13.979 10.470 7.756 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 2.950 5.797 -0.685 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 15.859 -0.284 -4.357 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 3.841 10.294 -0.158 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 -10.636 -4.989 1.931 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 -5.801 9.576 -19.019 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 -23.846 -13.484 5.390 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 7.628 4.194 6.550 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 2.241 7.428 3.313 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 18.041 -2.215 16.558 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 -1.898 4.475 -0.553 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 7.917 12.676 6.742 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 0.530 -16.110 -9.828 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 2.084 2.491 2.408 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 2.818 -19.424 -1.274 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 -34.079 10.303 -22.793 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 11.930 1.548 -10.517 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 11.441 13.458 -31.559 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 -28.461 -15.302 13.541 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 9.200 2.282 4.205 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 17.484 4.306 -21.851 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 7.955 7.563 12.521 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 -6.337 -2.206 -2.844 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 10.520 1.658 -20.474 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 4.016 -13.402 -0.233 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 2.378 -6.051 0.668 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 6.603 -16.859 2.850 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 9.791 4.467 1.614 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 -7.251 0.948 -4.795 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 -0.344 10.272 8.535 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 -4.865 0.242 -13.462 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 12.122 -0.788 2.020 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 6.023 3.534 0.148 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 11.514 -0.800 -1.335 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 2.720 -2.058 -2.405 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 4.284 -3.309 -5.326 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 2.109 -4.676 -4.957 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 1.038 3.148 -0.261 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 3.934 5.400 4.010 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 -9.692 -10.339 -27.697 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 -6.751 -0.337 -0.781 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 -2.330 10.429 1.326 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 -17.894 -7.072 -12.997 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 -5.690 -1.374 1.349 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 -15.629 -14.555 10.482 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 4.707 -10.896 -11.839 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 0.040 2.657 1.271 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 8.222 16.056 14.088 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 32.810 -1.664 33.772 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 -5.209 -1.724 -2.112 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 5.068 19.601 -9.211 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 13.953 -4.345 -1.149 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 9.042 -2.572 4.221 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 5.444 14.845 -1.813 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 0.554 -4.840 -3.288 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 -4.556 -6.242 -1.983 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 -16.355 -10.196 3.024 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 -4.637 -9.541 15.247 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 1.950 0.297 -4.555 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 -5.494 1.033 -3.686 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 7.722 4.197 -9.791 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 1.463 -1.434 0.169 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 24.803 -1.291 17.149 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 10.901 -5.037 -16.544 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 0.507 -6.227 -0.695 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 -3.641 -19.755 -3.278 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 8.497 5.216 7.433 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 -4.528 -9.413 2.594 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 0.457 2.792 13.544 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 13.697 -2.518 -5.655 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 -1.922 5.402 4.349 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 -13.847 -2.835 6.429 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 8.382 -7.826 17.528 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 5.313 1.760 3.984 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 15.913 7.999 -18.946 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 -6.920 6.986 8.376 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 10.345 -0.398 6.718 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 3.466 -2.917 10.550 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 -13.500 -21.963 15.345 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 1.639 -3.797 8.553 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 4.700 -6.150 3.985 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 1.642 4.400 4.259 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 3.801 7.171 1.325 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 7.683 -0.879 -12.744 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 3.872 8.853 1.401 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 4.960 -8.330 1.079 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 3.707 3.084 2.116 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 1.826 -18.225 -0.421 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 0.747 3.536 -1.864 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 -5.246 9.575 -4.380 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 -6.124 -15.367 0.654 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 -2.189 6.748 -1.466 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 3.833 8.147 1.035 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 2.511 7.595 1.046 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 1.582 -0.080 0.750 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 -31.255 -6.225 12.335 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 -18.043 15.384 19.917 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 11.551 4.478 -1.194 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 15.656 2.281 17.295 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 -9.600 14.763 -9.984 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 -9.128 4.380 -1.018 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 15.821 -19.303 7.836 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 -10.319 0.423 6.048 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 3.082 -7.799 -6.137 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 -5.833 29.816 12.732 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 -11.221 9.505 -1.684 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 -4.383 -0.279 5.765 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 -37.682 2.409 -8.656 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 -8.997 -7.022 3.237 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 0.717 -0.757 3.477 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 9.513 -10.687 -11.195 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 5.293 -5.930 -8.578 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 -1.661 0.415 -1.405 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 2.985 -4.811 11.080 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 2.925 14.227 2.437 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 0.370 1.362 -5.399 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 8.668 -4.222 -12.596 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 -1.062 6.683 -13.524 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 -2.545 -1.490 1.629 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 0.960 0.358 1.550 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 -4.757 -4.471 5.442 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 -3.442 1.237 -3.122 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 -4.246 17.960 -8.693 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 -10.363 -11.861 -5.454 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 2.194 -1.092 -1.032 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 17.434 -6.563 2.753 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 -0.254 10.647 3.710 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 -5.833 9.858 -7.070 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 -21.681 18.829 -9.548 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 -11.965 16.453 -1.690 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 3.003 -0.601 -1.222 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 6.798 5.460 5.480 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 6.216 -24.585 -17.518 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 5.282 -4.324 -6.818 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 4.611 -6.046 -12.838 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 -6.638 -9.016 -13.493 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 2.253 4.070 7.959 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 29.724 -23.490 32.350 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 1.051 -5.808 4.358 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 -6.793 2.894 5.552 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 -14.169 -2.075 -2.316 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 -18.604 -10.483 7.029 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 -6.584 -3.487 0.388 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 -8.624 2.978 6.743 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 -6.932 -14.324 -11.194 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 2.491 0.906 -2.394 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 7.954 -12.835 -0.470 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 -7.608 8.193 -14.706 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 -2.535 3.627 -10.481 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 19.877 3.152 -5.413 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 6.888 0.254 6.121 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 2.068 3.133 -6.267 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 3.554 -0.326 -1.452 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 26.472 -10.829 22.431 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 -3.920 0.767 0.893 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 16.634 7.362 -38.787 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 0.036 22.622 -0.464 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 3.795 1.841 12.010 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 -14.296 8.468 -8.803 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 0.601 0.820 9.783 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 -1.316 -2.136 -2.395 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 0.122 2.840 -6.301 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 15.213 9.163 3.198 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 5.928 -0.190 2.550 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 -8.381 -3.002 -5.538 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 1.053 16.991 2.869 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 3.333 -2.430 1.578 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 9.492 -7.536 3.832 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 -3.427 6.654 -39.418 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 6.027 2.991 -2.326 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 -2.055 -10.752 -3.959 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 10.008 21.650 -11.387 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 1.981 3.010 5.352 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 7.983 12.934 13.412 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 -0.442 -0.529 2.989 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 -4.965 -0.823 3.281 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 1.626 1.619 0.462 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 -11.718 -1.118 -24.715 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 -1.044 5.772 -4.566 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 6.556 -5.945 2.582 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 -4.451 20.761 -18.035 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 -0.328 -3.807 3.250 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 10.648 -33.104 12.175 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 8.022 -0.848 -27.959 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 -6.317 -1.704 -3.361 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 -8.499 -12.121 17.109 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 -6.230 -4.760 0.713 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 -0.042 0.854 3.000 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 -29.185 2.925 -11.570 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 -3.585 -1.409 -2.018 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 2.826 1.869 1.093 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 17.189 6.994 9.366 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 -0.210 -15.206 5.693 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 -5.163 -7.699 2.364 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 -7.667 6.867 13.174 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 -9.708 -14.035 -26.763 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 -1.439 -2.590 2.017 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 -16.099 -13.583 -4.906 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 20.328 -8.609 5.009 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 3.465 3.957 -5.410 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 1.271 4.055 -10.096 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 -1.309 2.292 0.180 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 2.888 -0.626 -2.004 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 -1.286 4.681 -2.251 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 -16.497 3.998 13.047 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 -5.795 3.027 0.262 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 1.404 24.276 -14.117 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 0.784 17.191 -14.723 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 -1.140 2.298 1.935 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 -3.753 6.616 8.008 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 4.915 -5.713 -5.759 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 -2.458 -2.680 -1.134 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 -6.788 18.141 2.619 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 -7.911 32.953 -1.052 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 2.280 -2.823 4.054 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 -1.503 -1.367 -20.995 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 10.419 -9.256 -10.072 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 0.077 -6.276 6.272 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 -4.945 -3.952 10.267 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 8.295 -5.402 3.870 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 1.610 0.710 1.784 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 1.386 -3.869 9.157 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 -7.337 7.192 7.153 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 -1.383 -2.882 -2.167 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 3.905 12.533 10.563 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 -21.934 -1.130 -3.928 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 5.755 -2.656 -2.970 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 0.710 -6.958 10.646 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 -2.850 0.153 -9.327 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 -2.223 0.112 3.602 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 4.591 11.111 5.115 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 -7.880 1.085 -8.899 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 2.136 1.397 -1.476 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 13.646 -5.616 -2.348 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 2.390 6.841 8.814 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 0.931 3.076 1.692 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 26.494 17.539 21.033 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 12.516 13.417 -28.891 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 3.799 -1.280 -3.000 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 -0.186 3.980 -6.140 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 -13.404 21.986 -4.068 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 2.832 -3.652 -4.868 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 -1.650 31.261 -39.903 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 6.430 3.551 -12.125 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 1.656 -1.734 10.049 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 12.196 -13.070 2.550 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 -0.133 -17.342 12.425 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 -3.283 1.864 -2.854 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 15.661 -10.657 -17.868 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 -1.923 17.766 13.073 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 0.018 -0.102 -0.041 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 25.201 16.610 20.548 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 5.165 23.369 9.267 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 3.775 -8.958 -1.487 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 2.625 4.532 -5.845 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 -2.153 -10.437 -10.763 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 -4.429 -3.922 -1.735 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 -1.978 -31.708 14.628 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 -6.692 -0.504 -2.033 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 -4.596 7.595 -0.237 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 8.331 13.863 8.384 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 11.735 11.659 -3.755 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 -1.584 -1.865 -4.375 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 14.730 2.429 -10.188 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 2.034 -12.338 8.463 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 -0.348 -6.485 12.122 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 -5.278 12.317 15.760 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 7.656 -15.000 29.755 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 -4.238 0.436 -4.367 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 -3.071 28.809 -4.178 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 -5.136 -7.794 -3.717 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 1.019 3.564 -2.639 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 16.527 24.467 -3.047 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 -18.536 -24.283 -2.777 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 -2.931 0.292 -5.926 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 -1.194 -3.058 -5.736 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 -4.655 1.035 -5.758 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 -5.032 -1.878 -3.016 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 1.837 8.594 -1.660 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 -16.812 4.386 -12.161 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 -5.828 3.718 -2.394 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 -7.160 0.536 -14.420 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 -5.481 17.097 -3.306 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 -3.891 -1.661 -5.351 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 -1.866 15.232 -10.159 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 3.622 2.546 -0.708 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 1.135 2.693 -0.697 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 -10.225 3.698 8.377 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 -4.539 -4.751 -13.016 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 -5.673 0.041 7.103 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 -19.317 2.450 9.865 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 5.921 -4.714 1.772 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 2.567 -0.070 1.694 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 4.701 15.097 22.932 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 -16.995 16.238 9.267 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 1.178 -9.543 1.225 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 10.901 5.808 -2.227 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 0.845 5.938 7.659 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 -4.277 -3.796 2.163 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 11.349 -20.673 -8.185 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 4.199 -6.131 23.235 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 -1.139 -1.887 5.100 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 2.977 1.968 11.273 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 -5.577 -4.492 1.598 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 -1.288 1.636 2.925 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 10.084 5.317 -10.963 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 -0.129 5.193 5.207 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 1.233 -7.582 -2.670 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 2.935 -1.977 0.376 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 -2.245 -10.947 5.850 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 -6.898 -3.535 -5.091 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 15.453 -7.254 -9.621 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 -6.466 -9.562 -13.494 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 3.508 3.143 3.720 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 1.891 5.289 -14.686 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 2.068 4.961 2.429 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 3.372 1.884 -3.516 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 13.144 -19.441 13.074 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 -20.968 -3.391 4.416 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 -5.536 7.886 4.888 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 -1.543 8.018 -7.022 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 -1.125 -8.352 -10.470 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 -4.655 -4.621 3.143 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 2.513 0.663 6.643 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 -12.213 -9.274 -1.021 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 8.682 -1.959 -7.350 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 3.924 -11.797 -3.354 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 -0.503 0.315 -26.800 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 1.810 -3.435 -1.671 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 -16.382 17.242 -6.869 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 -1.293 3.497 -5.166 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 0.432 -1.453 -7.894 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 -3.628 14.977 1.419 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 1.813 -7.007 -10.126 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 -0.367 2.259 -4.882 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 -4.471 -0.101 -8.442 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 -6.506 -2.599 -11.263 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 1.498 -1.961 4.797 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 7.868 -6.820 -10.654 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 4.062 -20.364 26.839 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 -1.794 5.944 -5.098 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 2.882 6.259 -16.644 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 -16.698 3.806 14.114 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 2.053 2.879 -0.943 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 4.050 -1.438 -1.920 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 -9.473 -2.151 1.032 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 1.610 -4.572 -6.003 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 -2.819 -0.009 15.422 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 15.144 -33.941 -35.554 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 -1.092 3.615 1.118 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 -15.368 4.196 -7.874 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 1.584 0.340 -1.496 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 -5.117 0.799 -2.040 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 -2.842 3.757 -12.811 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 2.372 7.588 25.177 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 -3.782 -0.686 -2.741 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 -18.764 1.301 -9.579 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 6.807 -0.904 3.270 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 -6.712 2.899 1.513 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 -7.793 8.549 0.031 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 -26.016 0.092 19.377 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 -1.220 1.351 2.803 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 7.201 19.653 -0.612 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 -10.584 -6.033 5.791 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 -3.582 9.426 -2.530 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 -10.198 18.700 -4.937 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 -2.781 9.327 -4.423 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 5.323 -2.449 5.874 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 0.555 -19.603 -10.788 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 -5.235 -1.057 12.916 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 -1.750 3.880 -2.085 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 -13.389 2.862 7.467 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 -6.363 9.093 -12.931 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 3.292 2.430 -2.963 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 31.823 0.182 4.917 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 10.317 -5.768 -9.930 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 2.917 1.148 -2.005 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 -8.222 -20.371 6.569 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 4.203 7.550 -4.947 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 9.233 0.371 1.536 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 6.583 -14.053 32.620 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 6.011 -5.728 4.882 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 3.791 3.724 -2.034 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 8.440 29.415 5.170 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 15.904 -8.899 -26.968 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 -0.222 0.885 3.531 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 18.639 22.637 -10.113 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 -13.135 -12.951 -19.852 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 -3.691 2.756 -3.513 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 -7.361 7.643 -4.375 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 3.485 -0.841 -6.799 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 9.593 -6.308 -0.205 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 0.581 22.369 -1.770 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 12.670 -6.883 0.558 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 -0.923 6.569 6.866 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 -5.690 3.135 -8.204 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 0.965 3.682 9.782 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 4.033 3.649 1.009 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 -6.838 -7.160 2.925 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 15.843 9.634 -10.243 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 -4.286 5.573 3.201 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 0.189 -9.724 -7.129 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 7.689 26.278 -3.804 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 -0.074 -1.311 2.653 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 -7.506 -19.059 -0.481 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 15.557 24.276 -26.209 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 -4.846 0.784 3.173 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 -5.208 6.668 -1.751 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 -3.349 3.474 0.865 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 1.948 4.818 -2.416 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 -22.670 -1.063 -0.068 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 18.930 12.252 -14.098 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 2.356 -6.839 0.693 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 5.974 -10.930 13.316 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 6.906 5.179 -0.113 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 -9.140 -1.935 -3.523 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 -7.044 -0.718 -5.572 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 -1.532 3.440 1.721 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 -0.234 -5.425 4.447 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 -6.232 19.818 -15.040 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 12.610 -3.008 21.064 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 0.031 -2.016 2.212 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 4.559 -2.252 2.408 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 -23.948 -2.477 2.582 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 -3.523 -2.713 -4.900 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 -8.853 -11.026 12.421 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 -20.865 -5.746 -11.257 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 5.733 -3.533 0.155 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 -4.360 -1.184 -25.187 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 -20.901 10.978 -16.600 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 -5.182 2.051 2.154 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 13.191 16.870 5.309 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 4.399 -11.854 -9.807 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 2.447 2.469 3.255 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 -16.836 -15.859 21.449 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 2.015 10.237 -10.355 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 5.630 -1.684 -2.889 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 -31.000 5.264 9.371 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 32.395 18.735 2.721 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 -0.415 -5.189 2.552 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 0.639 -7.140 -8.393 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 1.238 -0.400 -1.574 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 2.131 0.105 4.393 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 6.962 -4.292 4.053 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 12.504 -29.662 19.642 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 -0.542 4.446 -5.465 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 0.557 0.758 -13.602 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 -1.924 14.068 11.307 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 -4.195 -0.413 0.251 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 -2.822 0.502 2.015 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 -3.193 13.524 5.036 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 -3.947 -5.904 -4.732 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 6.002 -5.890 -5.857 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 4.186 -7.401 -5.346 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 6.378 -0.004 -1.929 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 3.095 0.794 -9.101 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 11.291 -23.584 -5.113 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 1.373 -4.768 -3.215 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 -1.170 -8.462 -15.603 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 9.317 -8.783 2.584 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 -0.437 -0.560 -0.930 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 8.513 1.276 -5.963 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 -15.182 -4.022 10.588 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 -0.391 -6.393 1.116 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 -3.171 0.553 8.886 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 5.245 2.019 -21.303 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 -0.098 -3.049 -2.241 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 -8.761 19.339 -0.663 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 14.799 0.175 4.562 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 -4.614 -1.484 -3.794 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 -14.824 -8.322 -20.345 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 23.453 -4.986 5.389 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 -3.393 -0.613 -0.028 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 -5.370 -9.796 -6.188 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 -15.345 5.283 -0.819 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 -3.846 1.936 -0.930 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 -5.987 5.015 3.496 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 -4.316 5.874 -0.457 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 -2.991 -4.441 -0.379 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 -7.786 8.671 -2.824 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 -6.669 -4.313 6.889 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 -6.232 7.674 0.010 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 5.414 2.603 3.325 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 -33.722 20.477 -7.206 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 -4.757 1.168 -2.519 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 -15.545 -21.329 -9.658 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -22.831 -27.949 -7.961 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 -0.444 2.635 0.262 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 -3.600 -1.255 -0.330 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 -4.830 -2.677 6.382 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 2.220 -2.045 3.681 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 -14.633 3.850 2.827 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 8.677 -8.278 3.507 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 -5.559 1.163 1.723 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 -8.174 -7.590 19.148 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 -18.088 26.971 19.247 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 2.760 3.397 -0.929 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 7.065 9.858 17.042 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 4.580 0.040 16.031 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 -1.272 4.605 0.516 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 2.082 3.892 -5.550 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 -7.369 -12.665 2.473 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 2.703 -1.771 1.783 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 -0.839 5.042 5.368 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 7.563 -3.842 11.729 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 3.089 2.532 -1.780 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 23.091 8.478 -19.597 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 -5.616 -7.293 9.567 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 5.572 0.671 3.757 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 1.572 19.842 18.514 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 -0.914 -13.510 3.833 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 -7.040 -0.865 0.643 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 17.208 23.668 -16.610 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 2.411 16.503 -23.290 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 3.483 -2.850 4.470 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 13.231 8.929 -7.915 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 5.379 -1.260 3.353 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 0.637 -4.731 5.504 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 -2.849 10.973 -8.391 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 12.667 -11.887 -0.066 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 0.545 2.839 -1.667 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 -2.214 5.605 -3.413 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 15.939 -0.643 19.140 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 -1.116 0.428 -3.637 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 2.500 -3.444 23.730 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 -4.614 1.659 -11.764 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 2.514 -4.344 1.212 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 8.816 -24.675 31.146 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 -1.245 -2.150 -2.885 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 0.676 6.931 -5.113 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 -2.517 12.130 -8.721 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 5.541 -1.545 -1.920 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 -5.756 5.175 1.673 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 -20.472 -6.669 2.092 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 -18.299 -2.602 14.585 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 2.281 0.036 1.378 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 -5.862 3.286 -11.136 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 6.300 -3.460 3.350 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 3.284 -5.541 -0.578 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 -25.514 -12.744 -2.459 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 -1.128 8.626 -7.233 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 1.646 6.067 -1.564 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 22.838 -0.884 -1.194 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 1.828 -12.687 -18.667 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 2.189 -1.130 1.504 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 3.367 -0.301 -5.719 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 2.255 -0.645 2.559 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 6.546 -2.472 2.280 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 22.454 8.776 14.159 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 1.625 -5.428 -0.413 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 1.758 -0.310 -5.873 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 -16.729 3.072 -0.354 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 -0.696 -1.800 -5.156 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 -0.634 1.341 1.099 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 -13.514 6.592 -7.445 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 -10.040 3.004 -11.532 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 0.838 0.985 -4.974 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 -27.225 -2.256 -29.465 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 3.179 8.828 -8.159 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 -5.648 -2.042 0.907 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 21.463 -4.807 -5.383 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 2.131 -0.180 -4.577 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 1.979 -11.853 2.157 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 10.029 -17.663 0.464 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 -2.989 19.360 13.421 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 -7.674 1.504 -7.541 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 -4.331 -1.681 22.425 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 -0.280 -28.735 21.379 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 -0.787 5.885 1.054 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -7.776 8.947 26.485 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 -2.521 9.625 -0.079 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 0.664 6.176 -5.263 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 7.015 -4.053 -9.869 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 1.120 -2.768 9.188 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 5.073 7.210 5.397 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 10.277 -30.635 19.672 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 17.193 -11.821 13.114 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 -5.317 -2.744 3.947 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 3.127 -7.936 21.640 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 -13.335 2.116 -8.335 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 -3.510 2.534 -3.094 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 6.305 4.502 -10.497 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 -1.484 19.208 2.345 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 -5.264 2.173 4.790 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 7.748 3.966 11.802 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 -21.523 -8.462 8.846 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 -5.333 3.031 8.082 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 10.604 4.737 -18.573 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 -20.678 28.542 4.249 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 1.971 5.284 -6.599 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 -0.576 -0.150 -2.884 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 -4.491 -11.605 -15.621 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 1.550 -3.381 -4.061 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 -8.145 10.240 -9.812 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 -12.918 14.773 -11.863 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 -2.392 3.687 0.989 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 -12.694 -3.287 0.538 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 0.549 6.199 -1.345 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 -0.264 4.767 2.580 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 -17.678 23.811 1.318 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 1.064 40.870 0.500 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 -6.846 4.778 -0.203 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 -10.181 6.412 -4.740 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 -17.715 15.885 -11.452 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 0.257 -5.862 -2.174 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 9.318 -6.055 14.966 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 0.863 -10.396 6.639 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 -0.440 -1.178 2.295 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 -11.050 0.456 3.343 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 15.728 4.957 5.785 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 4.543 -0.778 -7.639 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 -7.600 2.485 -14.086 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 23.407 11.153 3.718 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 0.495 1.431 5.555 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 3.732 4.312 -11.342 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 11.888 9.608 9.459 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 -0.630 -0.056 -2.504 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 13.087 -1.135 9.520 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 -6.372 7.854 2.288 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 -0.629 -0.094 -4.918 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 3.993 3.850 -11.128 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 -8.624 -8.121 -4.420 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 8.371 1.574 -1.462 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 -4.281 8.149 5.413 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 8.087 2.268 -1.436 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 2.918 -0.219 5.701 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 -4.552 0.298 15.115 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 6.691 -6.518 9.127 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 3.500 3.269 2.361 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 0.277 -5.676 -6.990 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 -14.338 -15.872 -15.362 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 -3.313 7.233 -6.722 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 12.370 4.279 -25.533 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 6.354 -1.281 15.748 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 2.536 -1.500 2.975 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 11.437 7.127 15.738 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 25.209 -8.320 -8.745 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 -3.031 3.828 3.922 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 -11.144 4.990 -0.429 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 3.766 3.543 6.185 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 -5.004 -0.919 -1.147 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 0.454 6.887 -3.432 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 -7.838 0.418 10.199 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 -4.701 -1.944 0.022 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 4.413 -11.137 1.442 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 -17.403 17.862 4.251 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 -1.684 1.434 -2.812 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 -2.992 -5.140 11.297 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 -6.032 -11.257 -7.738 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 7.820 -2.498 6.358 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 4.340 12.013 -13.458 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 8.832 14.105 34.472 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 1.349 -2.160 2.142 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 9.431 -11.832 2.198 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 -2.835 12.563 12.973 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 -7.093 -3.386 -1.756 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 18.517 -20.383 -11.471 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 -15.707 7.463 -12.771 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 2.814 -2.764 2.623 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 -7.918 -16.184 10.734 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 2.413 12.560 -8.033 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 -3.589 0.567 2.070 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 16.112 4.135 -1.295 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 -6.824 3.800 6.806 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 -5.185 4.555 5.761 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 -0.752 10.433 16.541 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 -7.297 -5.468 -8.140 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 -0.417 -4.191 1.185 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 -5.911 -9.991 0.603 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 -5.044 1.501 -3.380 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 3.730 7.761 -2.773 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 14.291 -6.465 7.291 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 -6.863 -1.194 15.611 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 -0.223 -3.423 1.473 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 -4.385 8.996 1.434 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 19.715 10.131 -8.590 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 -0.231 -9.750 0.400 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 -2.369 -0.874 7.167 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 -5.077 -29.134 -17.241 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 -0.159 2.541 0.329 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 -1.782 -16.366 -1.809 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 -0.084 1.132 -16.277 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 3.915 -4.807 -4.559 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 1.406 -14.668 10.202 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 10.559 3.695 -0.346 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 4.350 -2.504 -2.490 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 1.388 -1.834 2.616 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 8.680 -0.592 0.166 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 2.425 -2.037 4.766 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 25.491 11.729 15.323 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 9.173 -3.847 27.170 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 7.823 -1.063 -1.350 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 -23.242 11.842 -16.592 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 -12.562 12.717 28.397 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 5.674 -0.222 -2.643 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 -6.362 -9.541 -1.569 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 -12.808 -13.545 -3.113 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 1.888 2.324 -0.053 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 1.816 -1.824 8.826 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 1.434 -7.394 29.272 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 2.309 -5.653 -4.727 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 -1.501 2.338 -4.826 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 1.131 -14.485 -0.551 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 2.339 -1.472 -1.541 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 -4.762 1.725 2.230 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 13.608 -6.993 -6.663 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 -7.763 4.198 -1.243 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 -0.366 -17.332 -14.758 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 -13.467 0.586 -28.240 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 0.479 1.730 -4.076 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 -10.066 2.197 18.364 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 -7.377 2.177 11.308 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 -0.855 3.568 1.056 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 -3.712 1.729 30.965 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 0.668 3.486 9.322 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 6.288 -1.829 -1.896 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 0.245 -18.607 -6.620 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 4.316 4.386 20.625 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 3.050 -8.355 1.780 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 -2.476 -38.174 -3.552 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 -5.646 -2.874 1.161 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 2.949 3.073 -1.434 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 -11.048 10.443 16.385 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 -17.520 -9.851 -2.744 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 2.078 -0.527 5.314 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 -3.704 -14.505 6.818 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 7.247 10.280 -8.758 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 -2.101 2.769 -0.031 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 12.267 30.205 30.939 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 -3.415 10.258 6.803 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 -3.484 -1.614 0.279 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 -5.346 -6.249 25.802 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 -4.691 -5.204 19.994 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 -2.538 -6.467 2.732 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 -7.305 -3.827 0.626 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 -4.289 -11.380 3.489 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 5.944 3.366 -8.450 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 16.679 3.293 -9.593 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 0.260 9.892 -8.076 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 0.173 -2.814 -0.610 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 10.685 2.127 20.008 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 10.789 -4.170 -12.338 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 -1.575 0.902 1.949 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 12.753 2.363 -7.718 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 4.684 1.375 18.420 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 0.279 3.828 1.481 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 -2.325 23.572 3.252 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 -13.950 3.888 17.464 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 8.678 -1.778 -6.500 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 22.031 13.145 2.172 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 0.114 0.253 -8.842 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 4.692 -3.084 0.612 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 -11.198 -7.314 -5.314 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 5.162 -17.161 16.214 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 -6.225 -0.746 -2.423 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 9.503 1.359 -20.532 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 16.075 -0.910 3.141 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 -2.375 -7.719 -1.083 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 -2.012 -12.089 3.626 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 -3.687 -1.872 -8.044 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 3.580 -0.259 0.803 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 12.427 7.308 -10.173 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 -1.614 1.982 3.010 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 -0.861 0.238 -2.029 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 7.262 4.347 10.294 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 -3.812 5.812 -24.143 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 -1.910 0.393 1.641 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 -5.497 7.582 4.725 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 11.948 12.162 13.052 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 1.643 -0.350 -3.129 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 16.006 -20.357 6.421 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 0.366 7.178 -24.361 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 -1.820 -4.263 2.867 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 -5.431 1.213 -0.372 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 -10.094 0.159 2.414 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 -0.096 0.249 0.802 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 -4.110 -1.179 -3.123 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 12.044 -1.935 10.106 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 1.084 -5.852 -1.770 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 -10.429 1.684 -12.246 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 1.791 -3.879 -4.637 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 0.410 3.365 -1.656 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 -3.574 7.330 7.934 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 -2.078 -3.851 -1.644 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 -3.683 -5.201 -2.911 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 -5.741 3.209 -3.488 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 -11.887 -3.458 -9.541 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 -0.080 0.330 -1.629 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 -18.507 -2.083 8.450 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 7.522 5.889 -8.510 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 0.508 -1.136 -0.647 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 -2.319 19.999 12.871 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 19.362 8.517 -12.540 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 1.422 1.653 0.863 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 12.881 -24.344 29.142 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 -19.121 -11.259 -0.742 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 -7.469 -2.726 -0.323 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 -8.461 -8.240 -7.770 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 -11.544 -10.713 -5.154 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 -1.044 -2.161 4.361 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 -12.798 -0.809 11.328 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 -11.867 -12.884 8.096 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 2.582 -0.244 -1.445 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 -2.629 -2.597 -1.698 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 -7.877 4.966 -2.863 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 5.627 1.502 4.962 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 -0.746 4.220 3.416 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 -6.646 6.562 2.040 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 -1.240 3.339 3.206 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 -10.135 -9.897 5.861 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 -24.236 -9.440 4.718 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 -8.023 5.482 1.757 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 -10.372 -9.535 -9.419 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 -8.816 6.772 -1.135 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 -5.104 -5.640 6.980 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 7.650 4.581 3.647 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 6.178 -1.750 8.641 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 -3.189 1.213 0.813 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 -15.206 19.529 -4.968 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 -10.754 -16.253 -17.387 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 2.410 6.380 -1.146 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 -5.407 -22.076 16.277 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 -24.489 7.782 6.713 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 3.785 1.057 0.554 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 3.145 6.468 7.383 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 0.302 11.653 -6.937 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 -1.431 -2.326 -2.703 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 -0.272 10.368 14.386 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 9.268 -21.331 3.016 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 -2.555 6.491 0.824 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 5.893 12.754 4.562 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 -9.786 3.136 -0.114 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 -2.775 10.506 -4.911 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 -12.590 46.240 1.400 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 -2.808 1.029 -3.056 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 -3.296 -0.380 -0.253 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 -5.893 2.740 -7.161 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 1.254 -6.484 13.462 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 -0.230 1.440 -5.922 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 -3.439 -2.418 -9.649 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 -1.352 7.241 18.881 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 -3.431 -4.298 -7.099 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 0.617 -16.178 -2.010 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 4.236 0.250 -3.663 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 -2.229 -3.898 -6.196 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 -4.712 -5.550 2.748 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 -2.545 -5.540 0.127 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 3.806 -4.568 -2.319 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 -18.382 -13.293 -7.934 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 9.935 -6.552 -16.261 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 -0.745 -2.093 -6.860 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 -1.680 2.944 -4.895 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 -8.742 -11.668 0.999 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 -1.215 2.066 4.596 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 -6.706 -13.779 -4.011 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 5.337 12.293 0.848 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 -3.638 0.867 -5.783 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 -18.834 18.713 12.521 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 -19.079 -5.368 -1.350 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 1.353 4.745 1.551 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 -0.991 8.076 -3.697 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 7.660 10.255 4.144 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 0.751 2.589 -1.160 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 -6.899 -3.849 9.089 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 1.288 -3.762 17.901 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 -0.115 1.463 2.719 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 19.442 -12.513 -14.541 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 8.806 -8.995 -5.015 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 3.861 0.273 1.351 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 -9.676 -24.355 -14.112 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 -7.821 -9.188 -6.112 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 -7.498 -0.648 -5.259 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 -1.047 -3.336 20.532 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 -11.567 5.596 -4.804 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 -3.774 -7.274 -3.459 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 -5.067 7.359 5.766 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 -11.281 12.005 -9.838 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 -1.966 -4.262 -2.591 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 8.945 5.635 -15.047 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 12.461 -8.178 -10.628 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 -2.258 -3.170 -3.979 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 -12.756 -3.190 -1.534 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 0.086 -3.498 2.125 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 -1.375 -2.043 2.377 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 -4.942 11.673 -14.024 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 -14.934 -4.379 11.084 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 2.205 2.772 1.711 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 -6.365 -13.218 -0.929 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 -24.452 -19.104 24.178 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 0.413 4.775 5.096 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 3.772 5.562 -0.659 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 5.420 -20.325 -9.674 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 2.818 0.720 -6.145 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 -6.085 -18.295 1.520 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 28.251 -1.424 -2.739 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 2.561 -0.404 2.471 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 -6.235 -12.688 4.574 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 -14.234 15.206 -2.031 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 -1.373 -3.853 -2.042 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 -1.239 -6.827 22.209 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 -2.636 -25.960 -12.188 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 0.721 6.453 0.575 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 -8.499 12.362 -26.774 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 16.175 2.344 24.739 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 6.370 0.311 0.318 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 5.733 7.472 -20.171 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 7.148 -2.230 -1.867 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 4.687 -3.050 -3.912 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 2.152 -11.793 -6.564 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 17.639 -7.534 3.567 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 -1.879 8.231 0.279 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 -20.118 12.458 -13.508 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 11.353 -12.908 -9.832 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 7.240 0.179 -1.051 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 9.185 -8.411 -16.961 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 6.151 3.688 4.884 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 1.455 2.066 5.204 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 3.721 3.305 -13.255 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 -7.902 -6.328 6.838 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 1.562 1.020 0.855 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 7.001 -16.882 -17.759 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 0.313 28.918 -5.202 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 0.104 -1.868 4.881 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 12.473 -10.740 6.622 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 -19.715 11.266 0.990 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 -8.463 -3.262 -0.841 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 -15.333 1.567 -14.045 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 -4.442 9.802 -0.007 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 -2.549 -4.783 3.387 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 -6.201 -15.906 -4.960 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 -14.277 -7.349 18.444 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 3.841 -0.415 -1.533 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 -8.917 -1.863 -14.795 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 3.401 1.487 0.529 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 7.605 0.271 -2.307 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 -5.713 -4.081 -12.345 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 -8.526 7.234 -0.698 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 1.788 4.934 -3.604 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 9.512 -15.772 0.728 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 14.060 -5.140 -14.833 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 0.157 0.945 4.072 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 3.326 15.882 10.836 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 -3.597 -18.161 -5.197 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 -2.111 -3.809 -1.997 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 -3.462 -0.638 14.506 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 -6.141 11.198 -9.883 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 9.534 -1.401 -3.896 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 -0.173 -8.209 -1.159 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 15.648 14.653 -17.635 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 -2.111 -6.500 2.669 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 -1.657 -2.523 3.477 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 -1.160 -9.423 0.722 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 -3.205 3.145 4.690 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 -4.769 -13.372 3.374 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 13.016 4.995 8.359 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 -1.651 4.888 3.769 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 -10.621 -2.742 -3.852 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 6.895 -5.164 12.818 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 1.581 -1.713 5.645 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 18.619 18.879 4.202 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 0.063 -27.329 -11.242 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 -3.761 -3.094 -1.801 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 -0.716 13.058 0.086 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 7.053 -16.046 5.616 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 -2.858 4.537 -5.722 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 1.617 11.205 -5.550 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 -3.467 0.122 -6.355 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 -1.639 -3.487 3.385 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 -0.620 4.734 -0.333 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 6.616 -9.797 -9.915 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 0.648 8.303 -1.392 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 -3.347 -3.120 -15.510 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 -14.259 34.425 6.599 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 -2.993 1.308 1.933 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 7.297 8.530 9.360 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 -1.721 -11.928 5.899 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 -1.569 3.964 2.657 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 3.894 -5.038 -0.513 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 10.025 -8.717 0.191 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 0.985 2.422 8.518 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 2.149 1.545 10.582 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 2.598 7.245 10.942 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 -5.443 7.844 1.885 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 -2.817 -9.221 -1.873 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 -0.830 1.158 -3.685 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 -1.956 -3.239 8.305 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 2.806 -7.187 15.224 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 -0.265 -7.083 15.748 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 0.954 1.977 3.293 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 -5.732 2.467 6.315 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 3.747 5.402 -4.179 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 -2.247 -6.454 -3.765 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 10.511 -13.674 0.006 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 -5.779 -1.722 -2.149 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 1.519 -0.199 0.237 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 -8.852 -6.812 4.382 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 20.072 9.998 -11.024 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 0.129 3.163 -3.584 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 -4.990 -3.108 9.193 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 20.190 -3.993 20.169 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 2.499 10.685 8.350 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 -15.221 21.761 8.303 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 4.488 7.577 3.959 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 3.052 -0.792 -5.097 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 24.895 -6.544 -3.201 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 8.075 -9.489 23.090 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 1.601 -2.517 10.027 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 0.724 6.530 -0.712 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 7.606 14.037 -8.911 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 -4.935 0.171 2.497 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 -6.650 -12.189 -9.355 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 9.197 -0.998 9.717 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 4.369 0.725 1.111 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 6.227 19.841 -5.565 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 -1.624 -7.926 -7.720 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 -4.562 3.427 5.037 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 1.682 -11.306 -2.775 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 -6.000 11.219 -8.243 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 2.459 4.422 0.830 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 -2.457 -8.048 -3.691 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 7.621 15.349 -6.893 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 1.309 8.105 -1.448 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 -8.052 -7.743 -14.507 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 -0.589 -5.836 17.060 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 2.975 -1.452 3.785 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 -21.670 10.930 16.716 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 4.734 -8.631 -10.392 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 3.972 3.976 -1.112 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 -14.412 -2.594 -13.813 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 -6.319 -8.828 -4.902 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 0.262 0.857 -2.691 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 -4.033 15.524 4.707 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 -1.023 3.032 -4.973 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 1.110 -0.178 3.964 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 -11.240 -0.042 -0.716 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 14.781 -12.466 13.353 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 -1.903 -6.188 2.679 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 -4.218 0.024 6.555 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 3.638 -8.755 -0.051 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 1.363 0.045 2.584 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 9.364 1.129 0.814 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 9.056 1.607 -0.192 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 2.245 6.298 1.842 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 -11.467 0.230 -16.251 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 12.143 16.811 -10.871 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 0.868 -2.462 -1.018 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 2.419 -1.950 2.600 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 7.567 -6.941 2.376 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 0.205 7.350 -4.733 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 -0.177 6.858 -5.152 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 0.548 7.305 -4.628 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 5.546 -9.424 -3.329 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 -9.836 -11.649 2.693 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 -11.446 -9.917 2.612 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 -0.063 5.868 4.194 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 -10.009 8.565 7.695 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 -1.839 11.130 -1.333 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 -0.137 3.434 4.386 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 -10.529 -13.856 -7.145 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 2.753 -20.760 -9.394 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 4.628 -7.065 -1.415 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 13.310 2.491 -31.496 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 6.045 22.213 15.376 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 5.070 -3.674 1.667 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 -14.788 5.596 23.516 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 1.896 -29.696 -22.414 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 -0.999 1.625 -2.679 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 -14.229 -14.950 15.305 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 -0.537 -33.798 1.019 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 3.460 -7.575 -7.413 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 13.270 5.693 11.490 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 13.058 6.080 3.289 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 -1.604 3.438 -2.088 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 7.897 -15.640 10.223 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 4.113 -8.551 5.547 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 -0.140 2.409 -1.775 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 -34.435 -2.140 -26.516 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 22.791 -12.533 14.777 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 -1.473 1.246 0.515 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 -9.783 23.083 -29.731 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 -13.345 7.348 -8.624 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 0.258 -5.157 -0.579 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 -2.376 -9.096 -10.947 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 -10.346 -5.164 4.712 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 10.597 1.870 3.219 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 33.069 4.635 -5.157 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 12.718 3.279 3.330 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 2.771 5.792 1.273 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 -2.796 -20.800 -1.195 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 -11.023 31.139 -12.507 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 -4.023 4.533 -0.750 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 -10.261 3.417 9.366 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 0.173 -16.867 -21.354 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 -2.195 7.388 -3.098 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 -28.929 -16.429 8.266 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 -15.746 15.520 -4.032 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 3.555 9.832 4.674 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 32.441 20.072 -1.963 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 -10.684 -14.239 -18.271 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 -3.325 -2.275 -4.775 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 -13.138 -5.523 -9.197 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 3.762 -5.070 6.775 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 6.265 -1.008 -0.791 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 15.161 10.730 0.927 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 10.051 5.494 -0.807 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 -1.510 5.555 2.538 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 -4.504 6.832 -0.238 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 13.619 -7.720 0.806 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 1.467 1.750 2.710 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 2.208 1.924 2.670 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 4.711 5.734 2.899 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 -0.452 9.902 -5.269 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 5.314 -0.271 5.474 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 4.462 5.509 -10.788 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 3.342 2.627 -4.737 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 5.036 22.058 -4.441 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 31.972 -12.436 32.338 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 3.418 -0.222 -1.460 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 15.943 -12.743 17.691 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 -25.381 -27.935 -8.444 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 -1.537 1.870 -5.757 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 -11.087 5.485 -0.159 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 -32.963 19.459 19.849 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 2.466 0.589 1.281 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 7.099 -1.493 7.566 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 5.778 -7.127 1.689 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 4.688 -3.647 1.958 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 6.847 6.422 8.835 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 1.498 -13.035 10.754 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 2.072 1.714 -4.265 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 -10.987 0.683 0.269 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 11.524 -5.374 4.042 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 2.194 3.227 -4.200 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 35.730 20.134 1.931 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 18.276 7.207 -1.992 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 1.085 7.422 -9.002 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 -9.606 -16.844 -10.739 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 -9.948 -2.880 -3.241 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 -0.136 -2.200 -3.029 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 -12.824 -3.441 -0.724 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 10.361 0.713 -11.096 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 5.940 1.118 0.067 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 -5.482 4.045 18.211 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 10.223 3.743 -3.530 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 -3.789 5.886 -0.129 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 -2.899 17.053 7.342 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 11.094 2.377 -2.153 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 -3.011 4.234 3.672 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 -1.603 13.672 7.660 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 -6.353 -10.448 -3.121 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 -0.017 -5.637 -2.750 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 36.496 -15.304 -2.776 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 23.589 -11.902 -2.590 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 1.292 -0.727 -0.014 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 -18.044 16.798 -9.376 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 4.268 -8.573 -10.551 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 -3.690 -4.001 -3.630 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 21.955 1.364 1.812 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 -8.459 28.187 7.201 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 6.875 1.584 -6.814 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 -0.959 12.713 -10.524 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 5.791 -2.078 5.597 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 -3.627 5.476 3.108 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 13.812 5.013 -0.291 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 -6.732 10.547 4.460 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 3.925 -7.205 -2.554 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 9.854 -9.694 -2.488 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 -6.501 0.632 -1.147 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 2.896 -1.426 -6.374 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 6.861 -4.059 7.129 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 -3.269 12.842 -9.062 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 -1.705 3.831 -1.750 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 1.951 20.836 -11.017 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 10.706 1.755 -4.806 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 3.015 0.061 1.378 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 10.819 -2.212 4.506 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 5.648 8.960 0.031 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 -1.894 -4.375 3.564 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 -6.872 -7.982 -3.247 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 -6.537 3.822 5.180 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 -5.038 1.587 -3.769 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 -3.990 4.511 -1.535 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 -5.622 1.967 -5.958 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 -0.056 5.318 -4.823 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 4.137 -7.176 9.724 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 -8.998 15.448 4.427 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 -1.051 -2.784 -3.744 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 -14.667 8.905 -2.154 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 17.457 -10.024 -16.661 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 -1.487 0.163 -1.385 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 2.482 -7.476 -6.858 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 0.960 6.741 2.513 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 -3.749 0.201 -2.484 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 -20.132 13.964 -11.063 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 -0.955 5.831 15.386 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 6.759 -0.530 -4.130 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 -8.474 -3.985 0.716 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 3.728 -13.588 16.968 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 2.852 -0.579 2.958 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 14.315 -3.526 -4.039 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 -13.205 2.695 -8.633 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 -1.932 2.424 0.268 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 -8.081 -4.005 9.637 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 13.948 -35.429 6.198 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 -1.325 -2.143 10.580 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 1.844 -9.583 17.283 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 -1.344 -2.409 8.180 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 -6.560 6.063 -1.351 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 -0.304 -10.575 4.216 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 -14.498 12.127 11.345 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 7.358 0.620 -4.739 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 -13.908 2.941 7.130 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 13.983 -7.637 1.787 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 2.879 1.030 3.274 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 12.667 -3.489 12.670 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 9.210 9.928 -13.988 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 -1.301 -7.268 -1.201 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 1.564 -7.285 7.770 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 0.104 -5.489 0.464 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 -3.501 2.717 5.354 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 14.617 -21.701 5.602 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 -0.993 -18.990 6.548 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 8.601 -10.633 -0.877 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 -11.634 -37.340 -10.416 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 3.279 1.041 13.879 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 0.507 -1.326 4.740 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 -19.150 -23.515 31.660 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 12.783 24.223 -8.590 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 1.051 1.674 5.388 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 -8.707 34.211 -8.382 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 10.549 7.145 6.021 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 -1.520 0.978 1.694 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 7.012 4.809 -12.549 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 -7.669 10.946 0.048 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 -5.164 3.115 3.316 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 5.608 6.598 5.906 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 -0.451 4.211 4.277 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 -4.296 3.427 0.916 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 -9.662 -3.882 8.561 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 -11.843 -6.572 11.472 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 -3.115 -5.247 -0.632 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 5.990 -10.066 9.021 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 -6.291 0.805 -0.003 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 3.839 -0.917 -1.300 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 1.083 -11.706 -4.054 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 -2.374 -17.240 15.339 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 2.802 2.643 2.792 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 14.040 -16.992 -0.001 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 -13.693 -12.387 -2.628 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 0.675 -1.420 -6.370 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 -6.797 -8.141 -6.022 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 22.737 -1.328 -18.439 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 5.159 5.437 -2.732 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 -5.770 21.694 3.366 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 1.362 11.434 -0.883 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 0.558 -3.692 -6.949 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 -0.007 -2.593 -21.653 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 -7.720 -3.921 -6.790 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 -5.216 -2.190 -0.000 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 -11.528 6.940 3.749 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 0.017 -4.382 14.701 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 -0.896 -5.009 -1.909 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 -1.566 -7.382 3.464 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 8.074 4.221 7.281 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 -0.076 -1.472 -1.222 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 17.489 -17.777 -8.325 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 -20.417 -5.087 -12.224 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 3.474 -3.869 -8.143 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 -13.535 -13.570 -9.319 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 -10.033 12.464 -2.351 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 2.169 0.958 4.635 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 -9.628 3.215 1.550 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 2.506 -1.602 12.493 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 -0.496 -0.736 -4.534 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 -26.303 -2.231 15.311 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 26.484 11.852 11.335 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 0.041 -1.549 -2.193 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 -13.944 -18.143 -3.653 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 7.990 7.260 -23.238 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 7.691 2.058 -1.019 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 2.704 2.626 -0.930 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 17.365 6.860 0.719 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 3.763 -1.673 -8.260 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 -9.486 -20.218 -4.075 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 15.292 1.760 11.760 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 -2.495 4.378 1.232 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 2.690 5.500 -3.583 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 4.639 6.483 -7.671 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 1.795 0.738 11.068 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 7.242 7.583 21.326 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 5.652 -0.592 -4.064 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 0.811 -3.214 1.912 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 0.108 8.002 1.711 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 -4.466 8.282 4.476 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 -1.112 -3.556 -2.144 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 -5.427 -4.802 -1.025 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 13.443 20.875 9.127 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 -4.304 1.148 -4.078 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 -0.784 -17.480 4.017 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 -29.045 -11.459 2.474 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 4.839 -1.381 -0.387 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 23.045 6.804 -5.533 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 -14.046 -13.258 7.650 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 -7.461 4.713 -5.099 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 -5.817 -2.273 -2.228 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 10.984 4.319 -9.424 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 0.737 0.791 1.233 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 -2.400 -2.041 3.682 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 -3.986 -0.844 5.624 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 3.978 0.868 -1.655 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 -22.452 25.758 -7.316 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 -37.636 29.540 -12.095 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 -5.548 2.591 6.532 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 3.123 -3.840 13.903 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 -5.921 -4.735 -4.395 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 -9.675 -3.953 6.847 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 14.781 15.707 1.585 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 -4.699 -0.160 5.374 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 5.000 12.020 -0.452 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 0.498 -0.474 2.007 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 -2.534 19.176 6.537 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 -4.430 5.909 0.247 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 -9.596 12.388 11.527 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 -4.448 -6.265 -1.991 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 -0.442 -0.472 -5.453 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 -4.164 7.023 10.724 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 6.956 -9.040 -9.697 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 -1.982 1.354 2.597 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 32.299 -14.516 -1.265 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 7.262 -4.353 2.303 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 -1.981 2.824 1.066 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 -0.853 -0.992 -0.742 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 1.028 0.722 -1.581 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 1.992 2.676 -2.688 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 -2.200 7.981 4.035 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 -0.540 5.324 0.519 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 0.154 0.342 5.902 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 -32.823 7.505 -16.716 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 12.655 -8.608 16.065 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 -0.731 3.868 1.603 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 13.483 -12.343 3.464 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 -17.100 -0.311 11.244 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 -7.067 -2.767 -4.385 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 1.530 -1.257 -11.551 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 -7.239 7.601 2.550 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 -1.907 1.398 -5.518 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 -14.568 -19.839 -13.016 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 31.438 -21.877 11.542 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 0.660 0.010 8.732 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 13.667 21.332 21.053 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 -7.080 10.852 -16.368 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 -7.265 -3.148 6.928 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 8.118 -9.391 -0.722 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 -8.340 1.058 9.037 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 0.126 5.332 6.509 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 -6.857 2.292 5.404 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 16.708 -2.062 16.145 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 0.968 2.772 -0.704 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 3.246 -20.975 4.414 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 -9.769 -1.949 -2.326 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 4.097 -4.051 -1.248 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 3.272 1.199 12.072 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 17.393 -9.454 0.472 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 4.278 0.013 0.322 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 25.633 -3.071 -5.076 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 -13.405 -11.964 15.686 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 5.731 6.108 0.577 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 19.253 -11.094 0.717 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 5.501 7.128 -20.133 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 -0.309 0.426 -4.429 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 -10.769 0.050 -1.477 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 0.191 -2.446 -14.363 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 3.751 -0.979 -0.028 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 -18.831 6.756 3.073 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 -2.208 1.086 2.046 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 5.053 -0.696 7.022 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 3.815 -11.344 5.679 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 -8.605 -1.711 -2.256 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 3.462 -6.384 3.755 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 6.214 4.417 1.991 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 -8.586 21.352 -1.355 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 -3.096 6.830 1.117 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 -3.875 2.076 -10.555 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 -4.109 17.198 -6.447 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 1.580 -9.444 -3.548 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 -1.061 -5.892 3.707 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 1.863 -15.643 -1.017 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 8.602 -7.339 -2.730 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 -4.926 -38.106 -6.348 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 9.609 -11.342 -1.502 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 3.921 -3.114 -6.715 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 16.529 -0.867 10.648 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 2.422 1.848 2.450 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 3.818 -2.135 -1.504 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 7.076 1.153 2.974 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 10.839 -5.856 -3.437 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 1.964 -3.710 3.799 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 11.364 21.261 -30.212 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 11.926 17.916 -22.551 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 4.536 -1.747 0.235 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 2.782 -4.051 -13.024 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 7.805 -3.681 3.752 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 0.695 -2.359 3.323 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 11.241 -9.215 11.049 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 -1.792 8.101 2.073 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 -3.937 -0.380 -0.038 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 -0.777 -15.607 -10.577 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 -5.610 18.913 15.503 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 4.660 -2.547 0.651 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 9.926 -0.777 4.639 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 10.295 4.329 -0.358 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 -5.020 -0.587 0.417 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 -14.530 -5.516 8.445 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 -8.340 10.204 -20.245 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 0.891 1.792 -0.283 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 -2.550 8.601 -6.143 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 10.108 -20.259 8.459 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 -7.323 0.818 -0.874 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 7.324 3.662 -18.890 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 8.639 -2.336 24.193 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 -4.085 2.409 1.366 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 -4.848 -5.922 -16.939 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 7.016 -15.576 -6.901 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 -1.149 1.799 6.087 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 -2.459 16.235 18.011 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 5.294 8.791 -7.208 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 1.930 0.302 -3.369 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 11.571 -4.412 0.933 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 -14.867 -5.659 -24.272 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 4.733 7.480 -2.886 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 23.158 -12.559 9.658 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 -25.195 -14.737 -15.294 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 0.832 1.574 4.287 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 -7.151 12.065 11.692 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 -4.352 8.939 7.346 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 4.194 6.622 3.011 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 -11.285 -6.692 6.798 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 23.361 -0.505 -9.961 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 4.102 -5.668 4.455 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 -7.822 8.371 3.878 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 3.127 9.540 -20.423 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 5.579 3.644 -3.398 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 6.707 0.694 1.821 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 -5.547 11.681 -3.781 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 -2.521 -5.976 5.578 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 -9.241 15.742 -5.170 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 -7.116 6.824 -0.448 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 -6.524 3.502 -0.633 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 -9.118 1.361 8.787 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 -9.729 0.529 -22.247 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 3.902 0.179 0.036 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 9.263 -9.696 -26.022 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 -27.827 -2.988 -12.766 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 0.037 -1.291 5.363 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 -1.156 10.824 -7.415 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 2.056 -7.846 13.533 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 4.476 10.504 -2.709 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 2.831 0.132 2.119 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 10.603 14.302 7.026 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 0.452 -3.938 3.755 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 20.700 -6.180 24.158 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 -23.714 10.326 -3.082 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 4.460 -4.191 1.851 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 0.247 16.316 0.488 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 -3.831 -28.139 -10.059 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 4.430 -2.813 -1.222 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 -0.769 12.637 15.037 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 9.157 -11.875 -7.509 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 -1.737 -2.342 -1.203 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 22.210 -7.920 -49.825 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 2.589 -3.801 -12.746 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 -0.107 -0.078 -0.045 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 -7.760 18.116 -5.691 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 4.207 -2.366 20.301 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 2.700 -0.685 1.644 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 11.731 3.321 -3.882 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 -1.649 5.812 8.542 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 -5.187 4.430 0.622 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 -10.179 3.079 2.945 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 -3.669 0.591 3.870 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 0.562 0.898 -3.208 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 2.041 0.056 -6.205 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 -7.030 -2.711 5.593 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 -2.575 3.130 -5.445 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 14.993 -24.661 14.345 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 -19.301 10.455 26.704 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 0.874 3.059 1.165 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 11.739 -0.338 2.137 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 -29.479 -10.381 -0.942 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 -3.489 -4.199 -5.674 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 2.404 -11.180 -19.375 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 -7.349 -1.090 -15.182 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 4.684 0.978 -1.866 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 35.018 0.692 -1.368 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 -2.839 38.888 -6.926 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 1.590 -3.637 -0.831 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 -5.214 -5.165 -5.711 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 1.885 4.624 -1.145 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 -1.277 -2.387 0.210 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 -0.648 -5.404 -2.608 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 1.142 4.916 17.041 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 -0.785 0.387 -5.042 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 8.561 24.162 22.919 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 18.478 -5.625 -26.714 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 0.730 -2.580 3.380 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 -17.944 -8.065 13.540 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 -5.241 -1.230 32.052 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 3.727 4.562 7.401 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 -4.355 12.599 8.386 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 -3.072 14.339 25.972 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 -12.324 -0.683 -4.459 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 0.501 -13.907 -17.481 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 -7.664 14.385 1.529 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 -2.730 -0.664 0.070 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 -7.677 -1.545 5.876 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 -16.479 -7.822 -12.354 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 8.615 -3.680 -2.289 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 -11.770 -11.998 -4.277 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 8.588 2.702 -0.695 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 -5.804 0.207 0.827 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 2.358 -1.189 4.944 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 -19.662 2.755 -12.849 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 0.237 -0.737 -0.880 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 0.452 -1.091 0.675 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 18.667 9.079 -0.985 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 9.990 5.917 3.851 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 20.305 13.626 -6.472 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 15.407 5.814 9.749 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 -1.170 0.605 8.352 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 8.375 4.143 -8.644 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 -16.371 25.471 6.238 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 1.139 3.331 -2.581 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 -5.025 -15.314 -2.863 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 10.436 16.346 2.456 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 -3.211 -0.167 -2.316 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 -4.742 -1.621 -1.941 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 17.247 26.814 -4.994 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 0.990 -0.555 3.121 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 3.649 -6.309 -3.112 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 5.898 -8.121 0.497 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 -0.114 -3.187 -4.440 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 33.492 -17.612 -11.395 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 0.212 -19.229 22.831 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 -3.041 -1.504 -0.995 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 -1.520 12.538 6.775 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 -4.812 -10.570 13.071 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 0.863 1.234 -4.828 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 -26.990 -13.942 2.561 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 -8.806 -11.957 -5.735 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 -0.534 -1.810 1.307 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 3.542 -40.198 -5.498 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 1.710 -20.266 -11.765 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 2.745 -4.179 -0.484 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 -12.816 4.856 -8.135 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 15.230 10.792 4.950 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 2.556 -1.544 -5.956 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 -0.298 0.524 -4.424 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 1.066 -7.811 -3.288 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 0.235 -3.006 -2.606 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 -6.399 4.427 4.260 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 0.838 -2.584 -2.952 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 2.866 3.964 -1.979 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 8.788 15.248 11.954 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 17.832 -13.604 2.493 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 4.797 1.257 2.988 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 11.536 -3.296 4.486 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 -30.714 1.948 1.226 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 -6.965 5.422 0.456 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 -31.258 15.752 -5.525 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 -9.833 3.591 -2.098 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 -0.960 -4.621 4.836 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 -1.312 13.460 17.093 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 4.789 -23.064 -5.026 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 -1.656 0.618 3.626 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 5.205 -1.551 4.138 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 20.532 -3.949 2.030 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 2.293 2.229 -2.977 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 -11.890 0.687 8.827 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 -9.726 3.507 6.068 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 -3.437 5.805 2.012 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 -0.777 8.031 -2.305 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 -2.996 6.839 10.105 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 -2.000 2.205 5.953 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 -21.132 7.779 19.480 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 10.230 8.381 -29.775 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 -0.703 1.220 -3.244 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 -3.154 -2.865 -0.954 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 2.651 -8.119 -14.476 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 -4.775 0.416 -4.378 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 2.019 -6.300 -21.810 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 -7.018 5.160 0.744 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 0.711 1.553 1.745 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 -1.923 12.024 -10.265 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 16.090 3.968 5.446 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 -1.914 -2.012 -2.416 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 10.794 1.222 -10.058 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 -23.237 -13.190 -7.495 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 4.305 0.998 -5.213 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 -1.126 -5.702 -3.422 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 5.132 23.327 -6.869 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 5.048 1.896 5.532 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 -3.906 3.517 1.925 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 28.427 -5.976 -0.870 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 -2.129 7.419 -1.451 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 18.607 -2.489 11.969 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 4.792 1.324 6.393 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 0.369 3.067 5.985 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 2.132 -11.862 -7.710 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 15.202 18.468 9.492 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 -0.965 -1.479 3.364 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 8.294 6.656 -3.248 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 -12.560 0.507 28.567 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 4.684 -4.507 -5.939 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 -9.157 3.876 -9.217 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 -8.108 -30.095 -23.466 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 10.410 -2.545 -1.489 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 26.202 1.573 -21.032 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 -17.806 -31.277 -4.291 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 5.041 4.721 -3.002 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 5.901 1.250 -13.111 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 9.131 16.294 14.365 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 -6.970 -0.422 -5.382 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 -11.885 -9.891 -3.570 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 -1.446 -0.452 -18.884 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 -5.187 3.475 -0.354 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 10.035 2.926 7.072 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 -2.176 9.712 -12.938 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 -1.961 -2.121 0.490 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 -16.539 1.399 22.333 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 0.373 -3.763 2.646 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 -5.475 -2.182 -6.576 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 -1.496 -7.103 -6.671 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 -17.276 14.619 -18.424 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 0.844 2.590 -1.306 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 8.009 -20.619 -20.654 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 2.409 -8.566 9.280 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 0.253 -7.353 1.506 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 0.289 8.898 9.523 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 -5.637 -15.787 -10.389 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 0.269 -7.031 4.686 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 -0.138 -10.118 13.308 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 3.207 -5.030 7.492 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 4.177 -5.711 1.058 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 -13.989 8.123 -8.832 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 9.507 13.225 13.516 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 5.242 -1.315 -6.871 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 6.150 -4.192 8.412 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 9.672 -7.846 7.414 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 -5.794 -10.509 -0.311 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 -1.158 -7.552 4.242 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 -11.678 -17.664 -8.722 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 -2.300 1.243 -5.075 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 8.753 16.693 -3.077 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 21.987 -2.766 -4.127 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 -0.828 -3.593 -4.590 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 -13.055 -8.714 3.048 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 -13.088 -6.881 -2.571 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 -3.395 0.174 2.010 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 -9.734 -15.222 -4.339 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 -0.261 3.421 22.619 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 2.177 2.886 0.388 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 7.704 -5.592 9.136 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 -10.216 -2.039 -8.071 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 1.733 3.441 -2.235 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 26.752 4.968 9.771 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 12.313 1.009 8.174 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 4.250 -8.406 4.296 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 7.036 -10.373 -11.225 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 17.212 -2.096 10.372 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 0.103 6.105 7.236 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 -2.736 -1.230 4.036 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 -12.182 -23.290 -2.896 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 6.493 -2.095 -3.016 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 4.614 -3.028 -5.116 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 11.745 -1.600 -2.332 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 -0.619 -6.827 -1.134 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 6.443 -5.166 15.383 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 7.567 -4.131 -11.947 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 -4.836 -0.012 4.758 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 3.074 4.463 -3.482 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 -23.352 -19.361 16.186 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 3.611 -12.001 6.687 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 3.855 -1.031 18.511 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 -2.950 -32.894 -1.497 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 7.412 6.196 1.881 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 4.538 16.170 5.030 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 0.878 -8.636 -4.574 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 3.969 -3.645 4.592 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 7.128 8.933 14.021 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 0.070 13.609 -17.651 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 -3.193 1.885 3.492 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 15.724 -1.581 -24.827 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 -3.877 9.758 -5.832 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 -3.880 -1.141 -0.332 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 -7.334 14.311 3.970 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 -6.081 -17.184 -3.729 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 -2.135 0.419 8.999 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 18.785 -14.049 -40.892 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 6.307 6.354 0.923 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 2.980 -6.307 -3.265 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 -3.560 5.844 -20.703 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 -4.443 -9.081 -7.973 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 -2.482 -2.673 -1.416 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 21.262 10.874 11.703 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 28.402 14.926 15.959 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 2.362 2.512 -2.816 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 5.339 1.599 -15.862 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 0.415 -29.114 -16.253 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 -2.733 -7.153 1.601 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 -14.541 2.255 -14.273 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 19.881 -4.167 0.140 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 -4.062 -0.563 -0.794 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 3.615 -7.182 -6.102 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 -9.475 -8.190 6.966 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 -2.324 -3.236 -1.991 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 19.347 -0.971 -9.629 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 -10.358 0.785 1.416 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 -3.865 7.355 -3.387 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 5.762 5.341 -12.434 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 -17.607 -6.044 5.971 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 1.723 2.418 -5.639 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 -6.729 8.113 -20.647 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 -0.990 4.231 -11.829 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 0.891 0.131 -7.773 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 17.178 -2.326 -3.548 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 -0.997 -6.379 17.893 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 -1.480 2.191 4.486 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 -11.927 7.327 12.451 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 -10.863 -7.186 6.867 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 -0.623 3.717 3.367 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 3.457 -2.777 3.707 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 6.654 -26.460 -15.948 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 -1.567 -2.726 -0.947 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 -5.534 0.091 -4.336 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 1.113 -4.567 1.567 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 -1.113 -1.986 -0.294 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 10.319 -17.799 -24.093 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 -19.735 18.497 -12.905 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 -1.754 2.319 -6.163 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 17.043 16.024 -2.266 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 0.786 2.738 3.405 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 -8.442 -0.500 -6.464 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 -26.110 3.267 6.063 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 -2.151 2.526 -12.129 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 0.050 -3.656 -2.176 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 1.086 -3.294 -1.524 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 4.631 -2.109 -1.180 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 -5.448 6.416 1.579 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 -7.327 33.314 -4.557 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 -8.604 6.622 29.791 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 3.522 1.469 -3.051 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 -3.729 5.959 -15.610 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 -2.101 -8.046 18.539 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 4.866 -7.411 8.835 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 -15.356 -16.594 -1.575 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 -10.620 -14.682 0.808 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 4.108 2.449 -1.315 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 -0.693 -12.798 -0.793 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 1.477 5.509 -12.906 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 -3.787 -0.605 -6.620 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 -24.710 -8.384 9.773 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 18.151 -9.045 5.246 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 0.387 -1.312 -3.160 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 11.859 -6.603 -2.578 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 -24.578 7.129 -11.274 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 -0.100 2.509 1.806 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 8.911 17.062 -25.591 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 7.717 12.755 4.302 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 -0.952 -1.509 4.452 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 -0.751 13.121 -8.029 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 -16.619 -17.749 1.033 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 -1.674 3.262 -1.494 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 -10.106 0.100 -10.778 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 25.595 -8.744 -8.683 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 2.953 -0.911 -1.890 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 -8.216 -14.295 8.214 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 5.557 13.884 0.664 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 2.844 3.503 -0.780 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 2.228 1.982 -1.981 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 1.714 3.075 -9.305 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 0.111 -4.891 4.267 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 12.959 1.067 3.959 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 4.477 -6.181 1.029 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 -1.357 9.254 4.581 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 -1.104 0.068 15.184 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 -29.875 -4.671 1.933 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 -5.152 -1.777 0.380 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 5.613 5.162 5.474 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 36.451 4.552 11.375 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 -1.208 6.815 1.763 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 16.639 0.414 5.259 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 4.912 4.620 3.313 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 0.334 -2.895 5.425 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 -17.613 -15.258 4.900 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 23.838 -5.684 -14.932 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 3.548 0.980 1.826 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 8.643 -5.600 -12.791 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 -16.042 0.381 -5.018 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 2.082 -2.425 -0.729 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 -1.193 1.506 -18.245 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 9.279 -3.931 16.826 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 5.052 0.603 0.580 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 7.445 8.534 4.554 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 1.436 -9.216 0.896 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 -2.883 -7.041 5.479 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 -11.117 -1.117 18.788 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 7.316 -2.015 3.533 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 -6.538 -6.043 -2.341 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 4.543 -12.053 -1.142 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 14.544 -18.890 2.057 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 -5.453 -2.551 -6.220 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 -17.636 29.464 2.448 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 -5.912 -6.647 -11.823 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 -11.300 -6.635 4.037 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 -26.515 -4.419 -22.129 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 -36.534 14.513 13.823 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 5.326 -2.139 3.564 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 8.932 -5.191 15.758 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 17.784 -6.185 11.056 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 -2.037 1.602 5.079 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 -5.883 7.500 6.121 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 4.630 5.096 -1.511 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 -5.757 -2.628 5.189 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 -16.849 12.264 29.827 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 2.894 6.547 -7.740 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 -6.153 -1.174 -3.642 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 1.737 -23.797 14.915 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 -12.743 -35.071 -18.541 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 -1.252 5.438 -1.121 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 11.984 15.407 9.902 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 7.408 14.742 14.689 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 3.072 -4.811 4.041 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 0.295 4.713 8.317 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 1.990 -6.329 3.061 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 -1.337 2.614 -0.371 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 -6.751 27.913 4.268 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 13.440 16.554 -17.681 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 -4.458 -1.861 -2.340 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 -6.734 -3.548 20.144 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 -4.836 -15.258 -5.850 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 4.340 2.263 1.894 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 23.181 -4.200 2.925 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 9.053 9.518 7.192 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 3.429 -3.664 4.517 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 15.809 14.423 10.204 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 16.435 12.319 10.228 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 0.873 1.339 1.569 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 -9.516 -4.291 -8.553 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 -4.765 0.598 7.061 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 -2.881 1.733 2.698 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 -16.568 -23.169 6.144 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 10.765 18.755 12.352 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 -1.865 1.529 0.504 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 23.350 4.312 -9.829 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 0.171 9.005 38.198 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 -7.636 -1.559 -0.460 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 15.841 9.718 -9.213 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 1.191 0.649 -2.866 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 6.200 4.836 -3.125 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 -6.996 -5.092 3.977 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 -21.085 14.715 -14.095 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 2.952 -0.014 -2.313 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 5.736 14.993 -10.279 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 24.491 -1.847 35.011 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 -9.461 -2.130 -1.924 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 0.253 -5.475 -1.641 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 -24.513 -19.441 4.201 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 -4.288 2.466 1.243 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 9.046 -14.694 4.053 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 -5.074 21.521 -21.645 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 1.773 -4.682 -6.369 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 -4.364 7.579 -19.148 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 11.262 -17.497 -15.168 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 -2.563 5.321 -7.206 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 7.544 -13.325 0.551 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 2.838 8.622 -10.049 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 1.308 2.591 2.729 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 2.364 -8.674 -4.550 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 -23.529 9.230 -2.389 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 -1.510 8.410 4.146 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 -4.981 8.967 16.160 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 14.766 -45.307 15.891 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 -1.728 2.714 0.144 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 13.776 -8.245 -0.233 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 -1.867 -0.318 -3.106 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 4.507 9.368 -4.009 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 10.649 -1.812 6.933 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 -5.589 21.666 -11.708 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 -2.582 -0.222 -9.750 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 -2.140 -0.630 -4.295 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 -2.803 1.967 -20.256 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 4.809 -8.067 0.903 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 11.436 -9.069 -9.734 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 -3.749 16.990 -1.011 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 -1.135 8.183 -1.824 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 -37.197 -13.483 0.571 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 16.672 5.688 -11.725 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 2.809 -2.801 3.609 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 -2.975 -6.062 -0.230 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 7.287 -7.339 5.352 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 0.251 -2.107 -4.469 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 18.630 -8.325 -9.510 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 -9.894 -20.176 -17.544 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 1.432 -2.361 -4.325 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 3.496 1.267 2.731 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 1.617 -13.048 3.992 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 -1.586 0.342 -8.646 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 0.428 9.760 -20.025 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 2.795 5.721 9.370 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 -0.075 -5.905 5.893 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 -7.051 -20.263 -13.408 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 -8.362 -24.620 -22.347 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 7.275 -0.685 2.258 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 1.636 19.509 -0.418 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 -2.290 8.198 8.961 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 4.707 6.137 0.385 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 -8.429 8.022 20.283 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 -6.291 11.889 -5.159 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 -1.283 6.129 -3.682 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 -2.237 10.265 27.617 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 26.669 19.928 -10.588 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 -1.185 -4.138 0.403 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 -9.091 -9.149 -7.150 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 -1.594 -4.545 -1.648 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 -3.214 3.094 4.780 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 -4.544 2.465 3.668 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 -1.008 8.596 0.569 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 -1.433 -1.219 3.961 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 -3.427 -3.156 -4.677 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 -5.317 5.016 17.838 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 0.572 -3.219 -3.153 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 -16.424 -7.982 14.810 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 -18.508 -19.242 35.962 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 -5.520 -1.766 4.575 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 -11.273 -13.025 11.457 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 -8.958 -13.062 9.668 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 -0.632 4.421 -7.127 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 6.163 5.297 3.696 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 -1.351 5.260 -9.659 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 0.586 0.860 3.394 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 -0.696 9.834 1.165 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 -0.664 -2.899 1.521 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 1.048 -0.434 2.202 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 -19.681 2.791 8.451 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 -0.825 -16.246 -5.026 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 3.324 0.043 2.113 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 -16.151 15.413 -4.259 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 -5.805 -15.984 20.339 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 2.994 2.041 0.616 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 -0.635 8.203 -12.290 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 -17.462 11.686 -14.729 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 -2.601 0.970 3.573 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 -13.199 4.761 10.917 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 -3.957 6.179 15.573 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 2.493 -4.129 -1.590 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 20.046 6.013 -9.516 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 6.077 -3.862 25.983 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 -3.580 1.313 2.768 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 2.024 4.876 6.310 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 -23.479 0.017 11.092 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 -2.085 -1.703 -2.886 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 -3.457 -10.647 8.919 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 0.280 11.450 -6.235 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 4.299 0.823 2.850 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 1.977 -18.239 8.581 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 2.449 -10.547 7.351 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 -1.685 -0.783 1.363 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 -18.420 -27.697 1.539 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 -8.717 -7.975 1.756 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 1.877 -0.955 6.062 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 8.911 -2.129 17.452 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 7.724 -9.342 -2.746 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 -1.125 0.467 -5.386 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 -1.018 -31.688 -2.370 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 -11.973 14.631 -19.484 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 -4.180 -0.831 -1.169 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 -8.330 1.665 5.989 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 -6.016 -0.220 5.984 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 3.533 1.618 2.071 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 18.357 -8.771 -9.024 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 -4.184 21.780 15.365 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 -4.778 1.016 -1.460 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 -9.932 -8.870 -0.722 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 -5.192 -1.233 12.380 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 -7.612 3.470 -3.510 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 -18.107 1.735 5.235 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 -13.814 21.068 -12.419 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 1.282 -2.206 -1.807 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 15.163 -13.476 -0.697 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 -6.920 -0.628 -13.292 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 -1.835 0.284 1.352 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 4.865 -9.645 4.255 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 -2.436 0.621 1.211 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 -3.431 -2.208 3.254 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 -4.644 -3.900 -17.351 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 2.228 -18.261 11.167 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 2.584 2.293 3.789 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 -4.907 19.475 5.012 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 -7.313 -1.121 13.770 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 -2.981 -2.905 -0.176 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 7.402 3.528 3.363 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 5.522 -12.711 -23.402 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 0.221 3.175 -4.356 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 12.429 -2.896 7.306 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 -11.649 -3.673 8.318 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 -5.471 -3.281 -1.686 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 -22.695 -27.468 -6.677 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 2.577 1.117 -23.796 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 1.188 8.881 -4.595 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 2.208 7.657 7.109 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 14.782 -13.355 -3.439 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 -0.712 0.795 -3.823 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 14.752 -3.867 9.770 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 19.643 -5.385 14.021 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 4.376 2.007 -4.227 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 -6.850 -15.484 -4.352 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 11.876 -4.628 12.167 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 -5.454 -1.866 0.131 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 -31.724 -5.675 6.058 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 6.514 2.285 11.490 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 4.022 -1.985 3.633 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 15.303 -5.728 14.789 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 -5.079 3.575 -22.164 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 -1.373 -4.492 -2.242 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 2.945 -12.592 -2.467 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 3.946 5.365 23.800 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 -0.699 3.297 -2.237 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 3.603 4.092 1.057 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 13.004 -6.004 14.011 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 1.192 -1.004 -0.059 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 -6.155 3.706 5.027 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 -17.980 6.370 2.543 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 -0.026 2.148 0.856 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 11.079 27.594 -0.730 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 -0.517 -10.373 3.104 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 -0.217 0.091 3.166 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 12.309 6.957 20.433 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 -14.518 16.761 -2.561 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 -0.378 -2.987 -1.511 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 7.272 -8.121 9.643 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 -11.192 -3.384 -0.321 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 0.594 -4.691 -0.433 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 -13.008 21.860 -24.455 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 -2.768 -2.400 6.457 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 0.797 5.749 -1.883 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 -2.581 0.445 14.538 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 5.819 -2.187 10.700 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 -9.173 -1.572 0.603 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 -18.248 14.194 16.051 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 -6.964 -3.757 -5.055 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 -3.194 -13.569 6.879 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 -23.745 -20.827 30.257 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 5.107 -17.261 13.173 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 3.986 4.153 -1.832 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 10.387 18.529 -5.732 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 1.657 -4.699 -20.892 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 3.721 -4.885 -0.947 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 -6.984 -5.847 3.455 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 10.392 -16.399 1.464 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 -4.635 6.302 4.874 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 -14.121 7.777 -10.141 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 16.730 6.229 17.210 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 -1.393 0.723 -0.279 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 -18.008 -12.181 11.987 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 9.944 -10.541 1.390 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 -0.658 -2.499 -1.792 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 3.934 -0.038 3.315 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 -2.087 11.244 -11.569 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 -2.961 -9.316 -5.220 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 17.603 -0.903 28.858 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 -13.235 4.981 -14.314 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 0.599 1.977 -3.639 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 1.235 6.385 2.297 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 6.037 7.151 1.399 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 -1.658 -2.152 -3.214 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 4.302 15.613 -15.837 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 13.021 -12.532 -3.339 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 6.580 -2.114 -4.080 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 13.602 0.083 -12.599 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 8.434 22.635 12.290 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 -1.669 -3.712 4.239 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 -3.078 -12.311 -4.074 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 29.046 6.418 27.763 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 5.414 12.910 -1.486 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 10.693 25.929 -1.595 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 -4.010 7.355 -11.645 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 9.237 2.011 -5.172 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 5.242 -1.924 -1.754 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 19.337 3.512 2.978 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 6.954 -0.046 -4.920 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 15.971 16.670 2.228 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 -7.018 -21.939 12.003 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 -4.092 2.240 0.859 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 -2.449 -8.681 -6.144 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 -6.913 22.147 -5.916 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 -2.581 2.774 -5.265 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 -5.183 12.915 -14.253 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 -3.422 5.023 6.557 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 -2.680 -1.107 -4.204 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 -1.260 8.550 26.759 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 -14.340 13.280 -9.459 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 3.012 -1.970 4.475 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 -1.584 6.099 -5.244 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 -12.942 -8.310 -27.936 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 -0.961 1.320 1.043 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 4.099 2.249 -4.621 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 -0.893 11.525 0.564 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 6.906 -6.378 -4.296 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 14.549 6.141 -1.590 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 23.123 -10.008 1.861 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 2.995 4.766 -0.290 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 -0.730 4.202 -2.874 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 -2.831 6.902 -7.692 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 1.540 4.109 5.752 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 -20.656 -28.757 21.323 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 3.480 12.173 2.592 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 -1.944 -0.856 1.102 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 11.270 7.383 3.234 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 7.308 -21.218 19.451 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 1.621 -1.802 -4.082 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 -13.137 -11.308 23.602 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 -4.203 -18.725 -12.485 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 -4.722 3.379 -0.370 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 -2.719 30.964 -15.724 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 5.432 -6.097 4.879 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 0.210 -2.646 3.016 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 -18.837 -12.089 5.320 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 -21.815 -11.762 -13.092 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 -1.281 2.680 7.792 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 11.714 17.229 12.054 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 3.228 1.769 6.511 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 -7.929 3.882 0.284 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 -4.611 14.884 5.564 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 -13.415 -8.575 -6.244 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 -3.592 4.238 2.180 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 -4.918 -0.880 6.680 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 -2.273 -1.372 4.895 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 -2.681 -4.002 2.575 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 6.129 34.540 -5.188 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 15.382 -25.888 -28.528 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 3.496 -1.629 0.167 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 7.183 8.192 -6.740 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 1.071 3.705 -0.042 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 0.052 0.008 1.175 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 -2.073 -9.681 11.154 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 15.092 26.984 13.217 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 -5.714 -0.477 -0.306 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 7.427 -7.161 7.954 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 -8.203 -1.844 -10.775 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 0.703 -4.952 -4.291 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 1.563 17.431 -3.375 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 -9.891 -8.377 14.162 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 -0.295 -4.702 -2.233 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 11.435 -8.799 -9.588 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 -11.793 -16.262 2.911 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 -2.943 -8.119 3.649 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 19.134 1.281 -11.891 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 -2.829 12.774 7.957 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 -1.050 -5.950 0.333 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 -2.954 10.436 -15.018 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 0.512 9.194 -13.556 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 -3.336 1.764 1.927 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 -5.072 -5.210 7.694 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 -8.380 -2.912 -1.610 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 -2.690 6.423 -0.373 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 -7.052 -1.494 0.702 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 1.933 3.654 6.156 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 4.103 0.116 -6.487 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 24.181 -9.922 -5.344 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 -11.676 2.050 7.489 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 -1.410 -3.673 0.503 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 -10.299 -12.820 -12.990 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 11.320 4.252 9.633 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 6.927 1.431 0.212 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 8.594 -5.768 -3.494 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 4.886 -10.441 -13.284 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 2.978 2.720 0.567 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 -0.021 -4.728 -1.802 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 4.308 -5.649 1.742 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 -1.994 -0.078 0.008 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 -1.503 -12.227 -4.313 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 -7.884 16.516 20.721 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 -1.928 -3.102 -10.088 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 6.111 23.313 -1.435 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 -8.942 -22.922 -6.993 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 -1.524 -0.933 -1.556 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 -3.591 2.194 -13.417 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 -1.591 8.149 -13.987 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 -3.376 3.266 -3.937 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 -8.967 14.863 -5.053 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 -2.692 -7.711 7.728 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 0.893 3.570 -5.571 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 9.179 36.718 3.808 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 -2.131 -3.296 -21.535 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 6.242 8.368 0.641 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 -3.648 7.015 9.559 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 -7.123 5.887 -7.188 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 0.503 2.978 0.760 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 2.316 4.252 9.315 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 8.983 1.347 -2.119 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 1.255 7.625 -0.517 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 3.376 18.137 2.481 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 1.207 10.664 -3.427 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 -1.561 4.725 0.883 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 -11.193 -11.701 -1.532 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 1.695 14.785 -0.519 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 -1.788 -2.850 8.261 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 2.744 -2.217 10.194 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 2.125 8.159 2.733 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 -1.574 -0.641 2.873 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 18.764 -21.892 -2.184 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 29.420 27.423 2.877 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 3.761 -0.081 -4.913 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 -10.698 -26.845 -26.265 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 4.381 5.398 12.962 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 0.768 -1.036 -0.148 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 10.014 12.099 -10.887 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 -14.789 11.256 19.042 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 3.977 6.557 -5.075 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 13.719 -4.535 0.715 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 0.670 15.947 17.920 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 -3.434 1.994 0.606 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 -7.302 3.447 14.489 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 12.794 -5.614 -14.112 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 -1.866 -0.712 -4.661 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 -17.457 -16.193 -11.643 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 -5.028 10.003 6.447 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 3.625 -0.523 2.517 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 0.373 -0.795 -2.876 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 1.265 -0.312 -1.295 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 1.383 -4.998 6.554 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 17.422 4.519 24.919 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 5.036 6.060 -12.578 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 3.667 -2.712 -1.047 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 12.370 -10.569 -4.091 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 0.568 -16.875 -3.747 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 1.657 -3.732 -5.073 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 8.327 -1.119 -17.438 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 -13.658 -6.465 0.105 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 -0.924 -1.072 -1.485 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 -1.038 -5.625 -10.564 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 -1.398 2.763 0.404 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 -8.135 3.751 3.497 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 -14.264 -4.297 -3.433 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 -3.057 -0.936 14.610 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 -0.226 -1.346 0.570 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 6.326 -0.911 2.235 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 -6.656 -1.557 -2.269 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 1.627 3.372 -1.662 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 0.825 7.572 -3.434 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 -3.788 -13.573 -12.976 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 0.193 1.443 1.802 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 10.492 4.011 -15.207 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 4.869 11.175 9.843 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 4.919 3.078 -7.082 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 25.605 -14.314 -21.838 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 3.060 5.478 2.053 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 -0.392 8.170 0.587 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 -22.607 -3.689 5.718 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 -4.185 30.883 8.764 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 0.083 -1.578 -2.225 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 -9.486 -14.020 26.948 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 10.204 12.178 12.117 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 -4.622 1.882 3.511 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 -3.765 -2.567 15.050 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 0.406 -2.293 -3.369 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 4.104 -8.761 -2.502 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 19.278 -3.416 -12.911 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 4.540 8.923 -8.798 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 -7.495 0.966 2.890 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 -24.598 9.301 -1.360 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 0.697 -3.755 3.978 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 2.275 1.814 0.183 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 -18.149 26.275 -8.747 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 24.674 -6.449 -0.011 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 4.286 -3.662 -6.715 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 4.255 -6.454 -3.877 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 1.644 14.580 -19.959 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 -2.378 -0.988 2.510 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 -14.061 -12.751 -0.967 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 13.537 14.577 4.604 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 6.209 -2.886 -3.381 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 -18.567 4.371 0.294 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 17.320 -10.603 -20.569 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 1.963 -8.880 1.244 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 4.843 -3.695 6.860 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 0.707 -5.009 8.236 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 0.731 -1.734 -5.269 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 11.304 -8.482 -13.762 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 -13.790 19.395 -17.989 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 -1.221 4.338 -0.809 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 1.300 -4.244 15.949 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 8.715 -15.605 18.680 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 6.690 -8.739 -9.211 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 16.164 -5.541 -47.981 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 6.830 -14.328 3.138 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 0.415 -6.505 -5.196 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 5.533 -7.785 -1.592 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 -0.543 -6.561 -6.307 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 -0.458 -0.680 -1.513 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 2.003 -14.968 -26.264 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 1.072 -9.462 -10.428 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 3.410 3.670 -1.348 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 -23.102 13.341 -6.454 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 15.005 23.787 19.061 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 -4.812 2.140 2.800 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 -17.737 1.950 -4.722 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 -8.103 4.394 -7.946 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 8.387 -0.763 4.653 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 -11.670 7.697 5.941 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 -12.242 6.803 6.474 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 1.619 0.492 -3.028 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 4.999 7.771 -10.125 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 0.706 6.389 7.363 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 2.308 -1.733 -1.013 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 -3.134 4.175 -0.464 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 -2.614 -6.316 7.562 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 -4.700 3.722 6.917 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 -37.371 7.239 18.415 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 -9.226 -0.340 2.944 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 6.970 2.001 -0.946 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 1.305 5.509 11.723 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 11.354 18.717 -5.267 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 4.433 2.893 1.340 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 -5.640 -3.284 2.499 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 11.235 0.988 7.589 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 1.993 1.288 3.691 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 11.835 4.477 2.674 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 8.314 -10.567 1.271 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 -3.400 -5.303 1.751 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 -16.259 -7.141 -5.194 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 -5.260 6.118 -7.442 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 -6.866 -3.162 0.452 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 4.068 8.441 -4.389 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 -4.405 -0.391 0.991 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 -3.011 -0.362 -1.158 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 -7.279 14.111 -8.780 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 -3.699 4.973 -5.667 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 -5.570 -3.241 -3.019 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 2.312 -19.197 -17.337 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 -14.492 -0.550 -2.408 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 -1.177 -10.298 4.185 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 -17.201 -7.388 -0.663 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 9.195 7.462 0.710 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 8.909 -4.988 -0.208 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 10.902 -6.205 22.565 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 -0.225 16.151 -1.815 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 3.190 3.866 3.351 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 14.820 -5.311 0.358 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 12.790 -0.828 4.045 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 -3.405 -4.468 -1.059 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 -2.821 -22.572 -0.130 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 -5.900 -18.281 -1.237 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 -2.236 5.226 8.591 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 7.788 -32.876 -10.987 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 -5.078 30.835 37.585 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 -5.775 -1.343 -0.638 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 -8.792 5.872 -0.926 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 16.984 21.413 6.271 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 -3.779 5.633 -2.898 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 -1.615 9.423 -12.285 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 6.749 10.865 17.054 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 5.048 -0.783 -1.037 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 13.760 -3.743 25.530 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 -2.130 3.663 -7.059 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 -6.109 0.734 0.446 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 -18.883 -11.240 15.632 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 -1.410 13.513 9.499 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 -5.046 -4.061 -2.203 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 -5.004 -3.581 -7.313 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 -6.467 -0.187 1.692 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 -2.255 -1.150 6.945 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 -2.799 -5.343 22.523 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 -7.141 5.960 1.623 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 -1.899 0.654 -0.402 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 -5.564 1.070 2.011 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 -0.953 -2.571 -1.546 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 -0.175 -2.743 -3.634 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 24.124 11.376 10.842 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 -1.355 15.105 -18.049 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 0.771 6.827 -1.159 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 -3.392 12.338 12.088 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 -5.424 6.058 -12.892 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 5.261 -4.240 -0.365 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 4.806 20.058 6.390 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 2.232 0.400 26.088 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 -1.400 -5.151 4.951 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 -2.685 -4.911 7.709 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 3.653 4.924 0.708 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 -0.200 1.454 -4.845 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 -1.359 -11.381 2.906 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 -0.043 3.383 -9.388 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 -1.364 3.325 -1.606 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 -0.754 -1.177 -3.373 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 -15.713 19.999 25.970 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 -4.969 -2.211 -3.284 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 -0.973 -5.558 14.905 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 -9.552 10.427 2.270 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 2.148 -5.315 3.391 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 -24.207 -23.239 -39.958 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 5.044 -14.281 0.612 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 5.791 2.801 -3.995 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 -3.031 2.302 -8.611 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 -4.127 -0.176 5.660 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 -1.046 4.026 0.726 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 -9.824 5.698 6.653 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 -5.092 4.497 3.149 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 3.166 -0.516 -1.668 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 0.814 -12.292 2.955 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 -6.640 -9.712 -7.049 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 -0.307 3.522 1.454 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 -8.721 4.938 -0.549 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 -1.690 9.146 6.107 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 0.320 2.423 -0.749 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 1.351 4.012 -18.249 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 -16.931 -2.454 -0.343 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 0.894 -4.576 3.719 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 11.131 0.774 -10.446 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 21.005 15.734 -4.000 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 1.817 -3.378 -5.955 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 31.323 9.921 -0.151 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 -3.533 11.158 27.185 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 -2.431 -4.450 1.654 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 -13.304 -15.741 -17.463 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 -5.975 3.975 10.473 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 -1.340 1.665 -6.769 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 -20.688 2.118 -28.400 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 -0.626 20.737 -25.553 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 0.815 -4.512 6.461 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 0.525 -25.371 13.558 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 -7.858 -0.805 19.478 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 0.647 5.331 -0.291 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 -1.264 -2.140 5.697 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 -2.606 -13.023 -16.921 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 4.771 -1.469 1.100 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 -15.459 -2.826 -6.191 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 13.190 -3.846 -3.039 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 -3.528 1.966 -1.395 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 -2.306 23.180 -4.870 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 -3.072 13.526 -13.770 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 1.002 -0.616 -1.015 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 1.828 -12.709 -15.303 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 -8.768 14.135 -7.738 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 2.369 -0.163 -6.692 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 8.084 -18.828 -8.005 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 -5.416 14.457 -13.895 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 -3.615 -3.877 3.334 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 -21.968 5.166 12.962 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 -7.796 -25.196 -6.238 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 5.841 1.338 5.897 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 -32.482 -2.394 -0.473 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 12.490 7.707 1.368 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 2.160 -4.479 -1.506 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 10.963 -15.901 -4.810 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 20.064 7.193 11.575 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 1.744 -3.892 -2.483 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 1.507 -7.631 -4.410 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 6.546 -3.808 -4.250 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 -0.149 1.937 2.566 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 4.684 -7.825 -3.738 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 -1.374 2.678 6.371 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 -0.083 3.162 -5.302 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 -3.449 -3.991 -9.389 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 -12.096 20.462 0.250 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 -5.966 -1.380 -1.962 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 2.552 3.801 -14.022 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 -9.254 -2.145 0.700 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 4.621 8.933 -2.301 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 6.664 4.835 3.298 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 -6.072 9.479 -1.524 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 -2.143 -4.139 2.918 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 5.412 12.708 -14.745 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 11.032 -21.856 -1.437 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 -0.182 8.780 6.775 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 1.010 15.226 -13.639 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 -8.607 12.902 19.192 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 -1.475 -4.484 -2.907 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 -15.325 -17.988 2.414 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 -9.680 7.711 -11.171 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 -3.267 -6.602 -4.668 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 8.593 0.289 1.065 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 -12.998 -6.800 -6.878 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 -1.388 -1.495 -3.993 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 -8.420 15.750 8.421 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 -6.964 -17.053 8.532 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 1.513 6.632 8.436 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 12.303 1.814 6.041 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 7.856 6.225 7.748 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 1.545 -3.738 6.580 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 7.124 -32.394 4.204 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 -7.078 8.360 -29.399 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 -0.523 0.175 -0.611 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 -10.566 -19.342 -7.826 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 6.084 8.201 8.377 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 -5.301 -0.438 1.523 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 -17.391 12.504 -4.904 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 -14.718 -8.812 10.703 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 -0.742 -0.454 -0.014 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 8.177 -7.507 4.170 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 3.266 0.916 -10.601 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 -5.822 -3.962 -4.341 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 -5.344 -4.910 -15.689 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 -15.879 -10.625 5.103 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 5.603 -2.322 2.270 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 1.595 -22.437 -17.092 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 2.292 -2.526 -3.777 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 5.347 2.427 0.688 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 -2.119 10.947 1.127 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 16.663 1.659 -8.748 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 2.561 -2.872 2.744 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 15.141 0.695 10.533 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 0.465 -1.262 1.650 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 -2.288 -1.800 0.271 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 1.661 -1.818 3.601 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 -8.461 -5.209 -11.562 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 -1.628 3.203 2.247 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 -4.909 7.485 4.483 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 -4.754 3.113 -1.662 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 -0.073 6.713 1.657 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 -33.633 14.414 13.270 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 14.883 21.290 -1.111 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 3.683 6.279 1.067 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 16.060 14.936 -15.082 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 17.015 9.840 -11.935 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 -1.735 -4.170 -4.426 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 12.414 5.784 11.765 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 -8.786 -9.117 -11.926 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 -0.391 -9.153 -0.083 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 -3.385 -14.654 5.878 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 8.428 -10.419 -0.244 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 -1.839 2.775 1.015 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 -1.796 -10.947 5.791 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 6.455 0.357 -12.560 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 4.899 -3.939 -2.281 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 32.265 18.534 3.908 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 -9.976 5.363 8.556 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 5.424 4.178 -7.781 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 6.060 0.722 -8.983 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 9.033 -0.190 -2.602 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 6.131 -1.506 0.546 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 14.800 -11.257 11.191 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 19.647 2.364 -12.670 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 -3.825 -4.755 0.905 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 -21.110 0.736 1.847 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 0.288 -0.363 -6.028 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 -1.377 -3.922 -1.185 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 -0.094 -12.384 0.908 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 -0.085 -12.930 3.229 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 -6.157 -6.608 -4.870 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 -6.091 -1.097 -2.840 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 21.745 -11.164 7.190 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 5.284 -10.974 -0.910 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 1.026 18.787 6.233 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 7.530 -20.281 4.161 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 0.519 -3.268 -1.495 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 -7.382 -6.547 -3.476 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 -16.683 -9.392 -4.255 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 -1.349 3.572 -3.368 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 -18.994 17.809 2.146 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 -7.626 16.224 -12.140 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 6.637 -3.909 -8.488 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 21.680 -20.237 21.090 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 -18.022 8.067 -1.841 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 -8.488 -2.331 0.090 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 -15.445 -8.421 -3.760 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 -6.244 -8.757 3.267 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 5.792 2.565 4.466 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 19.958 17.369 5.272 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 -4.818 14.295 -37.516 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 -0.833 3.475 -5.985 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 -18.070 -13.043 21.642 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 0.728 6.261 4.492 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 -2.555 2.774 2.609 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 -3.009 3.325 12.828 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 -11.530 10.774 -7.998 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 6.274 -6.277 -1.128 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 4.039 -9.313 -8.477 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 11.252 -8.918 3.838 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 -3.428 3.040 -0.573 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 8.436 13.277 -5.214 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 -6.779 -7.955 -18.958 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 5.565 -2.489 4.194 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 9.352 -5.946 12.237 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 -1.017 1.003 -8.095 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 7.053 -0.713 -8.071 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 23.401 -0.872 6.152 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 3.319 -1.935 -14.540 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 3.809 1.679 0.460 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 3.707 8.298 9.624 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 11.701 0.506 -7.347 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 2.995 2.335 2.176 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 1.638 -4.872 -9.219 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 30.920 -20.316 3.070 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 1.182 -1.846 -3.891 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 -3.113 3.832 6.419 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 7.518 -1.582 1.641 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 3.733 2.613 -2.072 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 3.523 2.831 2.548 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 8.574 -3.111 -11.267 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 4.846 4.823 -3.388 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 10.333 1.719 11.129 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 -15.619 1.512 -20.622 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 6.454 -2.062 3.842 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 31.725 -4.945 -4.050 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 -14.956 -22.963 9.138 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 2.970 6.774 7.041 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 0.503 0.657 16.710 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 6.673 2.670 8.580 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 4.208 -1.962 -4.963 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 7.670 -8.472 -6.238 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 -0.436 -0.065 -11.900 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 2.058 4.638 3.093 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 0.701 5.785 -3.674 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 0.540 3.357 -0.694 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 -0.596 0.064 -3.301 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 -0.509 16.429 -4.962 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 -16.918 25.011 -21.023 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 0.536 -6.566 -0.895 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 -12.777 16.371 -25.608 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 -8.337 -7.583 -15.667 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 -0.826 1.974 -4.662 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 -0.077 7.639 -9.685 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 3.156 0.889 9.045 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 3.995 -9.243 -5.491 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 -4.351 -33.348 -2.546 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 10.976 12.633 -4.109 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 -0.419 -1.647 0.596 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 0.632 -15.254 21.356 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 22.998 -18.997 -6.175 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 -3.174 -4.559 1.085 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 0.325 0.885 16.723 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 -8.171 -23.842 1.378 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 1.685 2.455 -0.437 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 -3.012 2.065 6.291 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 -15.761 11.931 -13.969 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 6.095 -4.066 -2.701 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 11.717 3.762 -11.323 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 -8.005 1.822 -3.061 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 -6.838 -4.748 -3.342 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 5.764 7.448 -13.869 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 -12.598 -12.781 1.073 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 3.088 -0.313 5.633 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 1.812 -11.529 17.674 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 -9.352 2.515 2.964 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 0.406 -2.747 -5.277 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 14.474 3.641 -9.220 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 -35.114 -12.852 -12.444 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 0.106 -4.877 3.725 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 21.232 9.040 -9.188 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 1.305 3.402 28.069 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 -1.220 1.032 0.526 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 -4.528 -14.934 -5.441 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 0.650 11.540 4.105 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 4.042 -1.611 -5.102 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 -17.527 -3.466 -20.547 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 21.140 6.582 24.012 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 5.237 -0.369 -0.383 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 12.305 11.237 9.576 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 5.701 0.549 0.095 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 -0.779 4.363 3.740 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 -10.281 10.153 5.174 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 -14.294 6.365 4.428 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 6.167 -1.873 -2.671 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 7.665 -1.131 0.544 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 21.900 9.895 -3.297 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 4.036 -2.356 6.805 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 -3.109 -9.061 -6.491 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 0.918 14.512 5.105 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 -9.472 0.842 -0.929 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 -28.150 -8.367 -4.401 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 -7.539 -1.781 -6.841 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 3.105 0.076 -1.663 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 -1.588 4.695 -4.003 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 18.200 -9.896 -20.488 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 -1.692 -2.893 -1.164 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 10.665 -8.280 11.978 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 -21.754 6.434 -11.743 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 -5.233 7.908 -0.502 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 -2.176 1.918 3.521 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 -4.204 5.229 1.412 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 1.011 -4.730 -4.302 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 4.061 25.132 33.860 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 11.538 -8.978 1.077 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 -3.556 6.689 -5.956 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 -10.112 -0.898 10.511 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 -27.778 -15.064 -11.702 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 -0.157 -1.603 -3.108 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 -3.688 7.560 4.164 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 16.577 -20.181 0.730 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 -4.009 6.707 6.858 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 -3.143 5.946 7.205 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 -19.514 7.870 10.470 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 3.906 7.363 -5.973 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 -6.867 -2.722 0.849 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 0.719 17.843 -12.861 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 -6.079 1.779 -1.255 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 -4.729 -15.275 25.149 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 -5.202 -8.913 14.840 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 -4.437 -4.669 -1.694 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 7.348 -11.404 -6.057 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 -26.493 21.204 15.894 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 1.279 -0.956 -3.875 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 -6.259 4.948 -7.665 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 4.609 -4.035 -1.760 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 -2.315 -1.073 5.128 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 12.509 -18.467 -5.064 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 -5.323 13.940 -13.662 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 3.291 -3.565 -1.556 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 -4.046 8.394 6.048 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 -5.069 -21.281 0.171 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 -2.155 -3.631 4.371 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 -24.890 10.937 -24.709 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 -8.424 26.820 -9.839 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 -1.746 -5.520 2.612 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 -17.195 10.756 26.965 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 6.136 -10.569 13.130 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 0.174 -7.232 0.760 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 -14.878 -13.834 -12.810 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 18.131 -8.460 -10.554 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 -0.489 -0.506 2.355 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 -24.021 -28.981 -6.188 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 -21.644 -8.801 16.861 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 -2.212 -3.425 -6.059 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 10.951 -14.930 12.829 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 10.331 15.646 -7.948 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 -0.167 6.880 -3.137 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 11.688 21.911 4.891 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 1.088 -16.540 -5.662 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 5.497 -3.635 0.137 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 10.784 12.518 -0.546 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 -13.195 4.888 -6.074 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 4.308 9.477 -1.724 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 -10.853 -1.107 -3.841 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 23.586 5.903 13.775 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 0.661 2.246 -5.460 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 -3.641 10.522 -2.307 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 -2.745 -4.851 2.003 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 4.377 -0.913 1.819 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 2.311 -0.063 9.402 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 3.572 -2.911 7.412 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 -0.416 -2.510 -0.914 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 -1.176 -5.214 4.246 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 -4.054 -5.954 2.461 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 0.787 1.049 1.073 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 -9.706 1.657 -4.573 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 -14.342 1.645 0.028 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 3.887 -0.520 -2.781 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 6.972 -3.360 -8.172 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 4.552 -8.113 -16.440 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 -4.394 7.147 -4.596 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 4.919 18.774 -7.295 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 6.548 6.340 -3.098 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 -1.147 -0.830 -5.065 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 0.310 2.160 -4.034 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 4.923 18.737 3.054 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 -0.229 4.747 -0.234 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 -7.968 17.684 4.088 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 -0.840 -23.841 -2.746 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 -2.394 1.234 4.601 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 -0.770 0.724 7.695 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 -2.001 -0.145 8.490 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 2.556 3.987 -2.696 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 1.128 2.717 -22.587 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 13.710 11.918 -7.636 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 3.933 -0.033 -1.649 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 9.183 7.396 -8.954 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 -5.839 2.555 4.706 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 -0.705 1.832 0.324 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 -2.404 0.860 2.813 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 0.048 0.204 7.602 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 0.557 2.274 -0.631 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 -5.614 6.334 10.195 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 15.760 -11.093 5.583 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 -2.919 -2.649 -0.816 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 -7.051 -11.114 25.685 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 -9.927 -3.881 -7.662 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 7.699 -6.186 4.527 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 21.641 -7.821 -13.636 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 2.868 -7.521 21.625 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 -11.310 1.562 2.774 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 -28.254 -12.566 16.472 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 -7.885 -11.306 -27.322 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 -3.994 -0.629 2.745 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 5.001 -2.344 -15.254 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 6.118 -7.491 -0.592 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 9.328 -0.131 -1.955 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 -2.468 -17.496 1.900 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 7.414 23.989 14.507 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 -1.798 0.773 -5.717 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 3.059 -0.152 9.216 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 -3.164 10.439 -11.225 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 -2.739 3.877 0.052 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 -10.718 -8.202 -7.954 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 9.288 -0.265 3.944 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 -3.904 -0.659 -1.196 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 -34.503 14.958 -8.046 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 21.231 24.696 -5.081 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 1.184 -4.091 1.834 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 -14.378 3.927 11.323 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 19.473 4.305 8.967 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 1.217 -6.317 5.016 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 27.899 -17.283 38.672 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 0.604 -4.475 1.245 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 1.539 -2.945 4.967 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 0.317 21.419 -16.157 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 5.519 -2.273 8.447 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 -2.486 5.145 3.163 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 5.638 28.878 -9.069 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 20.671 3.131 -3.989 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 -6.451 -7.584 6.336 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 -12.215 4.515 -10.619 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 14.040 7.056 -28.887 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 -4.259 -4.852 -7.551 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 -4.984 -2.986 -2.465 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 -26.880 -10.218 -13.712 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 4.486 -4.258 -3.075 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 10.664 10.038 0.622 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 -5.978 -5.199 -2.281 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 5.048 5.098 -6.752 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 5.163 3.184 11.102 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 22.494 -1.295 17.701 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 4.178 -0.836 4.969 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 -14.540 -7.573 -18.493 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 -18.182 -0.884 24.439 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 2.158 -1.708 -1.199 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 3.285 -2.707 -3.765 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 -3.359 -5.209 -2.782 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 4.354 1.923 -1.321 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 -5.131 19.095 11.058 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 10.777 -13.747 9.206 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 -1.383 4.259 0.869 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 -8.006 8.886 4.837 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 -8.392 2.062 10.638 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 -3.985 -9.101 3.418 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 -16.266 -16.690 9.336 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 -16.262 2.932 -12.919 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 -1.168 -5.196 -4.617 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 -10.593 8.946 24.227 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 -0.766 0.638 -16.493 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 -5.302 -3.990 5.756 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 -5.542 -2.557 3.724 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 -0.601 -8.913 9.868 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 -4.463 -3.046 -3.433 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 -5.566 -1.717 -10.216 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 -2.727 14.167 -7.221 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 1.956 2.886 3.818 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 0.527 -3.390 4.006 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 3.405 16.768 9.924 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 0.768 -4.789 1.542 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 3.659 -5.376 -5.117 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 -3.340 -8.680 8.211 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 -0.603 -0.209 4.739 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 -0.913 2.499 2.758 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 -1.633 6.655 2.383 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 -0.106 3.280 -0.399 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 4.349 22.722 -16.732 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 -3.871 4.628 -8.934 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 6.687 3.127 -0.631 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 5.582 -9.938 7.324 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 -3.076 4.996 4.502 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 -4.370 -3.958 3.768 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 10.788 -8.288 1.195 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 -11.722 -4.971 1.207 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 3.186 0.305 -2.979 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 21.509 -8.533 2.533 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 -11.079 -13.187 5.425 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 3.819 -1.748 -5.332 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 3.592 28.837 -16.251 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 -20.476 4.397 -9.822 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 -4.345 0.639 -2.257 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 -1.428 1.274 3.306 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 1.159 1.514 8.513 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 0.559 -6.606 3.923 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 7.947 17.920 8.408 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 -31.241 2.186 -19.086 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 -1.330 -2.601 -6.123 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 -9.942 -23.046 -14.952 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 -10.033 3.806 -11.598 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 5.329 2.827 4.489 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 7.950 3.976 5.385 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 6.802 -1.860 -14.924 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 2.439 -7.529 -5.183 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 -14.668 9.573 -13.271 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 3.226 3.600 2.243 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 6.684 5.024 -2.049 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 7.730 -0.114 -21.864 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 4.593 13.463 26.599 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 0.914 1.969 -1.879 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 8.770 -10.500 -1.706 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 -15.502 -13.376 -22.506 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 2.232 -4.216 -4.685 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 15.355 8.072 -16.399 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 -17.216 -12.992 -1.783 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 1.351 -2.310 4.159 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 -21.151 -0.029 13.116 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 -8.182 -0.806 6.551 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 -1.205 -3.505 7.561 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 -0.011 -3.826 11.388 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 -5.812 -2.788 7.674 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 -0.080 -2.527 -4.869 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 6.161 -7.661 -34.022 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 -8.931 -8.261 -3.941 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 -3.201 2.419 -2.296 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 -19.867 -1.410 -11.901 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 -1.365 0.767 -20.826 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 3.611 -2.285 -2.586 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 -0.629 3.334 7.741 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 -4.425 -3.224 -4.007 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 -4.256 -6.408 2.697 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 -2.188 -17.325 9.271 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 -2.619 -16.069 7.975 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 -6.038 1.761 -6.546 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 -5.136 14.757 -0.960 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 -6.391 -8.282 -11.250 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 0.407 1.043 -2.863 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 -0.493 -10.321 7.389 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 14.256 10.278 -9.009 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 -0.405 -4.246 0.847 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 -0.528 12.133 2.439 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 -13.546 -9.651 8.850 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 -4.300 5.621 -2.162 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 -0.329 1.198 -17.198 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 -4.149 5.650 -1.802 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 1.837 -2.622 14.988 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 -0.783 29.061 -4.599 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 -15.907 -10.765 -6.584 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 -2.091 -1.083 1.261 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 -2.669 12.394 3.374 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 6.367 -1.453 -6.575 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 -3.965 6.081 1.689 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 -1.605 -31.018 23.344 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 -13.249 -10.556 39.525 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 -1.899 3.661 -5.051 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 -9.532 16.069 10.225 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 12.453 -1.577 4.545 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 -4.684 4.683 -1.656 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 20.058 -1.389 8.081 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 -16.065 14.330 7.856 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 -6.712 0.599 -0.598 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 -6.129 4.502 8.783 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 -24.674 2.289 19.094 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 0.784 5.799 -0.509 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 17.058 -23.890 -29.214 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 8.971 -7.738 -3.175 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 -3.434 1.838 -7.359 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 3.034 25.989 -12.060 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 2.305 17.689 -9.494 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 0.376 -3.936 -2.611 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 0.089 -8.799 6.844 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 2.959 6.130 6.710 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 0.053 -3.670 -5.078 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 -10.032 -50.011 -2.440 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 -4.874 5.106 -3.594 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 -2.641 -5.437 -5.790 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 -1.055 10.266 6.978 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 5.058 4.826 -4.715 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 -1.437 0.777 -4.152 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 -7.060 2.307 -6.882 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 -4.150 -13.530 16.859 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 -8.055 8.830 -1.488 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 -3.433 2.880 21.913 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 -2.624 2.557 -11.173 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 5.502 -0.569 -0.067 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 14.246 46.665 0.401 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 -30.117 -7.094 8.350 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 8.361 4.377 3.056 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 3.302 5.295 -5.505 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 12.406 -13.887 -2.424 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 10.608 2.963 3.808 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 8.332 14.542 25.465 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 -14.622 6.249 -9.552 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 5.761 2.625 -8.150 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 2.570 7.872 -13.840 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 8.722 -2.867 0.233 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 3.658 -6.129 -1.166 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 10.016 -8.641 8.599 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 -1.060 -0.843 -1.347 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 1.743 -1.390 4.005 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 11.488 2.700 -6.104 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 24.374 2.667 -12.551 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 4.217 6.449 -5.753 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 -3.390 -7.053 13.157 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 3.688 3.184 -2.274 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 -0.303 -2.759 2.950 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 8.756 -4.393 2.916 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 -21.624 -3.971 2.504 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 -6.044 5.071 -0.482 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 -10.207 1.131 -11.384 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 4.979 10.813 13.119 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 -3.553 4.867 1.370 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 11.224 14.599 -1.491 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 7.058 -10.770 1.858 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 -2.493 4.885 -1.285 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 -0.240 22.456 -4.836 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 -4.177 -11.246 -20.470 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 -2.529 -2.099 2.054 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 0.597 4.461 -15.323 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 -7.625 11.896 10.072 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 0.592 5.994 -2.001 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 5.850 20.456 1.861 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 5.395 1.580 -0.137 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 3.660 -3.146 -0.158 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 -11.429 -28.056 -21.262 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 -8.341 -16.269 -6.042 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 1.001 -2.108 -1.941 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 -18.652 23.315 -0.282 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 -5.656 8.673 -24.400 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 -0.518 5.838 -0.688 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 3.005 -12.053 -20.394 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 -18.123 15.509 -18.633 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 0.902 2.921 -1.794 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 -5.206 4.135 -2.040 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 8.873 3.962 -12.896 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 -5.257 -2.414 -2.936 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 8.997 0.906 1.798 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 -9.890 -11.158 22.402 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 -0.370 1.974 -2.285 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 -1.904 0.723 12.895 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 -4.028 1.910 -13.458 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 0.230 -1.945 1.784 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 -1.423 1.572 -13.289 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 -9.856 5.343 -31.223 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 -2.417 -2.621 1.350 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 4.096 -7.381 -1.719 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 -10.377 6.649 -11.654 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 2.563 6.214 -4.315 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 32.702 5.283 -15.897 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 4.602 7.625 -7.319 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 1.483 -1.297 2.424 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 2.225 0.481 1.436 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 4.257 31.803 -25.600 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 1.450 -4.459 -1.171 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 4.323 -6.454 14.809 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 11.153 -4.799 31.266 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 -2.591 -0.614 -4.953 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 -2.621 6.296 -1.910 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 -12.834 22.553 -9.766 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 1.580 3.155 0.848 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 2.737 8.807 4.198 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 7.183 -0.439 -0.180 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 5.735 3.729 -4.954 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 -1.218 17.623 1.044 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 2.075 -4.687 -0.922 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 -4.248 0.132 0.602 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 24.282 2.045 3.911 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 -2.587 0.537 2.941 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 -1.694 1.631 0.045 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 0.236 0.553 6.308 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 1.976 3.373 -1.361 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 2.888 -5.341 -4.015 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 -2.265 7.481 27.533 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 -6.865 -15.962 12.517 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 1.502 -7.250 3.678 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 -22.688 0.726 9.618 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 9.412 -2.590 10.447 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 -4.099 -7.585 1.567 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 -1.052 -9.248 -9.046 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 -11.126 0.606 0.619 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 -1.985 -0.558 -1.240 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 -1.950 -0.278 -1.496 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 -3.580 3.624 -5.604 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 1.666 1.135 3.183 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 12.606 2.376 11.370 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 -4.323 -2.007 -0.626 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 1.682 1.321 -1.839 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 -19.900 -15.100 14.662 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 9.284 -16.126 19.792 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 -1.584 1.869 0.630 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 -14.766 -5.196 5.951 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 13.958 0.825 9.967 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 3.454 -5.062 6.056 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 -9.397 6.813 12.825 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 -7.495 -10.637 2.142 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 -3.862 1.002 4.687 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 -3.758 7.445 0.606 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 -3.712 0.703 20.531 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 -0.310 7.261 -3.168 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 -17.190 21.695 25.785 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 -13.666 21.945 0.710 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 -1.932 0.910 2.740 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 7.074 2.061 4.352 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 -12.081 -1.566 2.292 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 -2.111 -5.778 0.058 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 3.154 6.580 6.719 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 -2.562 -11.953 9.614 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 4.747 -3.392 0.628 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 2.964 10.726 -4.447 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 23.205 -9.745 22.306 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 4.525 -0.621 3.529 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 18.377 1.540 -12.038 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 6.615 1.924 2.025 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 -1.702 -7.301 1.388 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 1.193 -2.227 32.454 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 12.340 10.397 -14.092 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 -0.509 1.277 -1.584 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 10.497 6.556 -8.047 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 3.198 2.984 3.291 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 -0.985 -4.678 0.467 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 9.209 -10.465 -3.838 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 16.717 -0.909 5.084 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 2.309 -2.531 -2.020 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 10.668 -5.702 -2.192 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 -21.888 2.457 0.408 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 3.734 4.884 0.031 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 5.481 4.921 -9.008 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 1.993 5.455 9.666 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 -1.834 -4.431 -4.066 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 17.760 -12.598 4.347 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 -6.800 25.014 -4.439 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 -2.222 0.007 1.086 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 -16.690 -2.683 11.417 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 -7.493 -5.992 22.915 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 5.974 2.828 3.429 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 -6.598 -10.610 -4.259 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 27.456 -6.464 3.432 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 6.642 -2.031 1.933 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 -0.363 6.064 14.080 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 21.379 5.920 -6.580 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 -2.997 6.765 4.998 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 -25.446 9.428 2.267 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 -14.143 8.137 2.011 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 3.709 7.885 1.191 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 -1.143 -7.958 3.593 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 5.313 4.528 4.509 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 -1.924 3.614 -6.678 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 3.226 1.266 -17.394 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 8.036 -9.808 -0.457 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 -3.598 -2.625 2.113 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 -12.233 17.210 -13.291 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 3.378 7.375 -6.595 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 -1.536 -3.211 -5.990 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 1.289 1.815 4.081 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 -10.801 -0.397 10.066 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 -1.598 -3.799 1.083 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 18.268 5.210 2.778 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 -13.709 -4.998 -3.948 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 -5.309 -6.517 2.610 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 -7.157 -9.873 10.366 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 -18.711 2.498 3.948 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 -2.789 -6.465 8.356 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 -1.755 -6.186 4.746 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 11.106 -3.232 -21.809 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 1.625 0.470 4.987 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 -3.384 10.434 7.203 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 -14.150 35.332 10.881 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 -4.419 1.780 3.148 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 -10.720 4.472 -1.374 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 3.436 5.588 -13.465 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 -2.939 -1.760 4.237 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 3.973 -4.944 3.002 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 -5.541 -9.384 4.071 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 2.131 -2.349 -0.993 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 -5.266 -5.092 -1.060 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 45.314 13.665 3.066 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 6.008 -10.608 3.422 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 6.846 -4.279 0.765 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 6.338 12.070 7.537 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 2.905 0.478 -5.817 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 2.933 9.235 -16.432 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 -19.810 6.091 -10.533 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 -4.675 8.049 3.390 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 1.017 19.836 -4.575 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 -2.586 -19.328 6.862 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 4.149 3.535 -7.729 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 -21.210 6.366 2.866 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 14.883 1.931 -11.104 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 -2.674 0.679 3.389 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 -1.887 -0.814 21.653 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 -3.872 -0.642 8.946 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 5.676 2.047 0.295 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 -1.224 -19.769 -7.523 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 3.513 31.933 23.855 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 8.763 -5.626 -0.359 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 4.770 -21.417 -18.725 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 14.568 10.079 17.551 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 -2.329 -4.319 0.934 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 8.096 -11.783 1.308 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 -6.651 1.933 -9.967 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 0.059 0.626 -3.192 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 6.682 3.272 -7.788 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 -1.842 -6.621 -5.050 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 5.571 3.622 -3.088 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 -5.752 0.009 3.498 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 -15.731 -2.000 6.447 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 -6.813 -1.215 2.868 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 -9.329 21.106 8.286 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 -15.639 21.497 5.651 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 -5.351 2.911 3.762 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 -6.981 6.904 6.055 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 10.403 11.901 -11.917 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 3.771 3.035 -1.702 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 15.472 56.498 -15.314 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 -8.859 -5.903 -1.272 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 0.873 4.537 -6.923 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 0.496 0.842 -10.801 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 2.841 11.333 5.100 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 1.677 -2.389 -3.997 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 -1.637 11.132 1.612 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 -9.151 0.221 -9.417 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 -0.514 3.256 -1.028 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 26.622 -7.762 0.717 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 4.844 8.010 8.238 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 -0.621 -1.106 -0.793 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 -24.670 -20.382 -16.722 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 2.538 8.777 -2.641 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 -4.317 2.861 0.440 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 -28.951 -10.176 16.180 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 21.229 -22.780 2.308 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 -2.498 2.959 -2.175 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 -0.013 -14.779 -5.336 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 1.530 3.714 14.567 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 -2.334 -4.413 -1.991 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 -3.006 11.018 -19.638 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 -15.137 36.542 9.902 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 2.037 -5.602 -2.806 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 14.807 15.433 1.426 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 -22.028 -19.414 1.350 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 -0.365 7.033 3.304 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 6.460 2.688 -4.500 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 6.107 7.200 -11.677 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 7.140 2.949 -0.765 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 7.807 -13.950 -6.877 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 11.058 12.791 21.349 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 -0.680 -6.807 -1.814 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 -14.495 -7.917 5.016 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 6.252 -2.453 -4.277 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 -2.026 4.884 -3.955 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 -6.887 5.657 -7.677 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 -9.435 -3.102 -19.170 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 -0.667 -0.335 2.153 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 26.216 1.936 17.325 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 8.438 3.209 -1.694 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 2.662 6.291 7.486 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 -14.534 8.415 9.079 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 -4.217 14.625 10.812 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 -2.324 1.880 1.646 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 8.603 11.135 -7.150 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 -21.930 -16.457 1.900 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 -2.036 -3.988 -5.777 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 -2.031 7.197 4.312 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 -2.477 0.033 -17.190 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 4.158 1.953 5.909 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 13.005 2.889 7.081 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 3.653 3.644 11.646 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 -3.511 2.889 -9.488 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 -8.760 -9.387 9.031 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 22.781 12.908 -4.532 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 0.876 2.563 0.057 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 15.622 3.480 1.366 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 12.811 6.729 11.628 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 3.568 2.036 0.960 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 3.763 -2.055 1.290 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 5.662 22.742 4.261 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 5.972 1.945 -3.224 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 3.112 -0.656 18.964 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 14.346 -11.196 -11.873 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 5.348 5.109 -3.443 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 10.761 -8.324 7.423 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 2.722 -14.529 1.503 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 -5.425 3.493 5.627 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 -3.156 -19.271 -11.950 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 -32.388 -0.156 8.073 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 -0.553 5.825 -0.355 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 -12.592 -3.476 13.796 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 6.548 9.922 -9.687 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 -0.156 -7.750 5.082 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 -18.597 -2.871 -23.927 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 2.934 -11.845 8.865 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 2.823 -7.661 1.921 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 5.686 -6.516 6.044 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 -9.442 -11.319 0.945 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 -0.760 6.096 -7.202 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 -3.885 -2.956 2.222 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 -1.197 0.870 -6.826 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 -3.975 5.733 -6.675 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 3.489 12.935 -11.275 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 -8.719 13.158 -6.657 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 -3.399 -5.317 1.777 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 3.870 32.882 -6.505 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 8.360 16.911 5.175 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 -2.930 -6.428 2.260 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 26.811 -10.030 13.062 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 -20.902 -13.544 -6.917 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 -2.353 -2.218 -7.697 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 -8.553 3.304 -4.374 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 17.265 2.221 1.959 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 -3.534 -2.676 -7.341 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 -7.321 -13.742 8.473 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 11.393 1.315 6.096 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 5.299 5.205 -3.887 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 17.165 -1.863 8.586 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 -15.257 -9.712 -17.328 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 1.693 -0.356 -1.291 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 -5.070 9.122 -2.928 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 6.067 -4.394 -7.544 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 0.368 -4.838 -0.711 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 -6.701 -3.698 0.915 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 2.484 21.151 -5.008 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 -0.806 -1.016 5.985 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 3.804 -5.305 8.720 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 -13.125 6.017 -0.251 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 4.453 -0.168 -5.508 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 8.476 -13.602 -9.466 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 5.772 -19.762 -5.076 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 -3.545 6.168 -6.050 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 -5.759 7.152 -2.289 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 6.362 -3.618 -15.529 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 6.009 4.550 1.533 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 -23.945 6.209 -8.713 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 -3.676 -6.174 -0.020 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 1.335 2.513 -0.572 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 -3.050 4.364 -1.818 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 -10.134 13.512 0.334 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 0.054 5.318 -1.703 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 -8.284 -3.053 10.010 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 -10.392 5.240 21.847 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 -0.767 6.024 -6.233 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 -12.095 6.330 -10.447 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 -0.004 23.861 17.668 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 2.643 -3.999 -8.348 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 11.367 -10.966 -0.061 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 3.264 -4.150 -7.521 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 9.685 -1.033 6.259 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 -12.610 0.363 -1.044 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 25.748 -8.859 -1.995 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 1.097 -10.037 -8.119 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 2.887 -0.887 -6.877 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 -3.130 -31.479 -11.568 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 -0.696 -1.104 2.354 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 10.226 3.822 -1.474 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 -13.767 -5.236 12.454 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 5.415 1.961 5.716 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 22.130 -7.600 15.195 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 9.140 -13.012 3.002 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 0.136 -4.038 -0.895 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 4.330 -6.383 -0.501 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 -14.646 7.944 -7.902 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 -2.800 7.777 -1.831 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 -10.886 16.459 -4.895 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 6.647 12.761 -3.608 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 5.779 1.797 0.606 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 -7.636 -22.352 17.489 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 13.499 23.680 -22.303 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 1.725 -8.425 -1.967 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 2.055 -16.900 1.355 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 3.474 12.216 -4.679 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 6.333 -3.440 1.911 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 -2.683 14.524 0.657 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 -5.260 -21.396 7.016 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 1.114 4.241 -3.577 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 -6.427 -15.490 2.566 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 8.892 -14.519 9.542 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 6.347 4.838 2.336 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 11.430 19.986 -0.019 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 -14.341 10.136 14.737 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 -7.340 2.948 -2.599 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 -20.638 -4.492 10.448 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 -3.519 14.288 10.191 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 7.616 1.067 -1.370 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 25.404 3.816 2.601 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 -18.377 13.228 -10.236 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 -1.940 -1.357 -2.387 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 4.959 2.129 -0.643 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 0.904 -7.830 -2.468 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 0.109 1.301 -0.022 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 2.681 8.857 11.226 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 0.072 10.535 26.179 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 -1.220 9.296 -3.842 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 3.397 -9.671 0.187 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 3.572 -5.463 -19.810 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 -2.945 -4.019 -2.258 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 44.758 15.094 14.351 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 16.394 -34.526 10.092 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 -0.660 -6.026 -4.072 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 -25.023 -9.354 -17.531 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 26.531 -0.775 16.766 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 -6.973 3.285 -2.240 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 -5.229 6.955 5.451 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 -17.352 11.723 18.919 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 5.024 4.492 -5.259 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 8.994 17.144 -14.830 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 -1.142 -7.105 -14.137 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 -10.640 1.047 -6.971 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 -6.081 37.931 11.168 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 9.833 -1.113 11.971 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 3.540 5.624 -0.301 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 11.595 -0.757 -8.984 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 -12.319 14.726 6.527 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 -6.497 -0.769 -1.559 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 -8.947 5.270 1.524 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 3.679 -16.800 16.101 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 3.951 -2.223 -0.045 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 18.197 4.507 -2.213 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 -16.862 5.446 9.928 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 0.264 4.051 2.365 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 -1.619 5.020 1.180 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 24.180 -18.039 27.157 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 6.344 3.749 4.387 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 4.099 1.779 14.949 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 -14.578 8.166 -6.359 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 -4.073 3.530 0.380 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 -7.470 0.231 3.160 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 -12.308 -8.230 8.368 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 3.860 -0.812 -2.880 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 11.741 -8.458 9.663 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 -9.906 10.032 -5.356 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 0.316 -7.234 4.676 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 15.613 -6.767 10.332 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 13.003 -10.648 -8.394 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 -0.561 -5.000 -3.034 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 2.721 -5.462 -3.486 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 -6.185 -23.646 -19.035 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 2.167 8.808 -5.061 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 23.597 16.494 -2.029 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 7.870 10.474 6.516 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 -1.612 0.869 -1.648 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 5.327 -12.852 13.626 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 -6.445 -9.034 -7.233 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 3.901 -0.402 -2.949 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 -2.194 6.107 -0.545 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 -10.955 15.381 0.113 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 0.442 -2.460 -0.262 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 12.662 1.851 2.077 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 -4.675 2.250 5.301 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 -5.538 -0.223 -1.436 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 -2.936 -2.479 -7.528 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 1.317 2.244 30.981 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 -0.220 5.657 3.736 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 -8.745 -0.391 -18.348 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 -2.443 -7.798 -4.198 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 3.512 -3.586 -0.557 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 1.757 -4.235 -4.514 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 3.683 -1.712 1.326 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 4.729 -2.527 -8.880 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 7.222 13.358 34.758 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 7.857 10.202 18.262 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 2.098 0.468 3.564 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 22.927 -12.746 10.571 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 -17.148 -10.604 -2.880 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 0.490 -1.688 2.888 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 -9.452 17.307 14.633 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 13.643 -2.316 3.975 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 0.857 -0.589 -1.493 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 4.113 1.017 -2.377 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 5.600 9.652 -9.075 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 -2.591 -6.081 -3.665 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 -9.910 -18.832 12.276 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 -22.574 -10.467 -5.574 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 2.164 1.370 -1.174 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 3.161 8.046 4.169 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 0.992 -5.721 3.889 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 -1.218 1.412 -1.764 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 12.065 -2.994 -5.817 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 -11.756 5.064 4.234 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 -2.198 -0.297 0.061 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 13.065 35.557 20.438 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 17.315 -1.014 21.939 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 -2.938 2.054 3.845 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 -3.911 -9.985 -18.260 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 15.604 -6.534 0.957 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 -2.893 -9.034 4.690 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 5.512 9.491 -15.690 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 1.897 20.820 -12.684 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 0.805 1.632 2.438 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 6.237 23.982 2.153 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 10.001 -2.160 13.654 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 3.250 2.872 0.635 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 4.859 -9.730 13.920 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 -0.733 -3.882 -15.275 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 -6.233 2.475 -0.078 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 0.366 -17.371 1.615 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 2.899 -28.598 2.922 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 -2.404 -1.122 -4.021 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 -7.974 3.978 -0.523 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 8.933 -14.934 -7.501 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 -5.548 3.651 8.257 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 6.470 16.632 -4.825 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 20.376 11.888 -13.397 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 -1.056 9.719 0.994 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 -11.975 6.332 8.544 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 -6.705 16.567 -11.235 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 -0.630 0.362 0.849 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 -14.697 -13.967 20.959 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 2.767 3.171 -3.016 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 -2.839 -3.324 -3.149 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 -16.927 -12.523 -0.168 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 5.746 10.093 -13.069 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 2.417 -3.799 2.360 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 14.848 11.379 6.789 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 8.852 2.462 -3.300 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 2.988 8.657 -0.724 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 8.866 -1.776 11.829 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 -0.977 23.107 7.219 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 2.798 0.224 -3.297 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 1.570 -9.935 -16.940 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 2.921 -11.445 -4.088 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 -5.411 4.974 -9.263 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 -10.091 7.047 -7.375 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 5.493 10.321 -0.505 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 3.813 2.165 3.062 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 -22.130 3.483 -20.121 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 5.742 21.962 25.974 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 5.652 0.927 7.631 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 10.379 -2.637 -3.841 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 11.154 6.719 -1.532 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 2.849 -1.146 -1.088 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 -4.368 -12.187 -3.288 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 23.181 14.782 -13.567 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 -2.852 -3.060 -3.119 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 -0.201 -0.257 0.515 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 7.845 -15.478 6.224 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 4.482 8.940 0.330 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 36.978 -3.582 13.285 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 14.525 6.886 6.400 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 -1.718 0.833 -2.477 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 -2.551 -5.123 -6.177 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 -7.029 0.471 -0.132 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 -1.689 5.945 5.248 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 2.478 -15.598 -7.415 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 -24.409 10.737 -1.858 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 4.130 -7.854 5.309 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 9.846 -1.489 2.463 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 -7.301 -0.228 7.717 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 0.186 -2.151 2.371 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 7.139 4.842 11.745 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 6.630 4.936 12.279 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 -1.351 0.322 3.199 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 -22.605 -0.465 1.809 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 10.411 -2.759 8.417 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 2.498 -4.742 0.345 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 -3.604 -2.932 -16.810 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 -4.455 -0.208 -0.137 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 -3.041 2.008 -1.207 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 0.029 0.772 -8.480 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 2.546 3.881 -5.993 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 -0.886 3.631 2.376 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 1.288 -16.819 9.601 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 3.564 -0.397 1.986 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 -2.729 -2.473 6.056 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 -9.596 3.003 -7.315 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 -2.574 6.498 -4.417 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 4.131 3.760 2.398 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 -0.493 -1.977 1.025 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 6.747 8.451 10.364 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 -5.035 -5.918 0.982 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 1.031 12.326 6.377 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 7.189 -0.118 -4.167 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 7.163 -8.155 -4.808 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 -12.251 5.587 -14.109 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 8.448 -16.506 28.099 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 1.089 3.392 -5.172 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 -18.184 -6.915 -6.678 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 0.731 10.605 15.617 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 -5.762 0.378 -1.244 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 -18.364 -1.541 11.049 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 12.064 -3.123 -6.189 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 1.710 -1.766 -5.195 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 -2.566 -1.983 -3.495 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 14.104 -8.161 6.399 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 -1.216 0.800 -1.925 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 -14.820 -15.086 13.051 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 -14.975 12.387 0.180 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 2.071 8.058 -9.939 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 3.148 -23.737 -16.755 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 4.685 24.608 -8.714 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 2.833 1.340 -0.628 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 11.917 17.004 -9.133 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 -3.875 -10.140 1.859 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 -3.067 3.258 -1.719 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 -6.553 -2.704 -2.316 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 -11.696 10.238 -13.919 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 -6.993 -4.922 4.677 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 -13.331 -10.106 10.616 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 -14.788 2.452 -1.184 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 -2.270 0.096 -8.755 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 -3.956 -7.775 -32.120 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 -22.304 10.298 -14.310 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 -3.067 -1.992 3.912 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 -13.176 -18.575 -19.274 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 28.684 18.939 10.947 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 -3.065 2.276 -1.787 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 -20.743 11.245 4.172 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 -10.707 19.164 -1.129 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 2.646 -2.451 -4.050 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 8.356 19.192 9.483 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 19.572 -15.577 -29.004 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 -3.151 -4.806 -1.843 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 -5.913 -6.924 7.503 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 -5.102 -2.431 9.014 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 -0.475 1.567 1.023 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 0.866 11.241 32.510 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 -2.776 -17.341 -25.845 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 -1.528 1.096 -4.329 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 24.868 -20.494 -4.620 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 12.146 -13.923 -12.568 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 -4.939 -4.045 -1.700 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 -0.735 -8.549 0.921 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 -10.170 -2.476 -3.392 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 4.008 6.254 -2.505 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 5.276 -1.599 15.831 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 -1.975 -1.704 -3.345 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 1.367 -2.321 -3.408 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 2.859 -5.156 13.765 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 -1.762 -9.466 -8.024 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 3.885 -4.745 -3.132 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 17.885 -15.334 24.848 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 2.407 -8.923 -4.667 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 3.590 -2.860 6.420 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 1.589 9.089 -10.653 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 6.962 -2.283 9.711 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 1.415 2.396 5.043 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 11.275 -10.541 1.395 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 0.291 9.762 -6.744 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 -2.752 2.345 2.591 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 -7.870 9.128 2.108 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 -9.321 3.265 5.086 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 -0.339 -8.043 3.307 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 21.570 -2.169 18.597 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 23.223 -10.520 1.066 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 -0.454 0.080 -4.913 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 10.899 -5.984 0.749 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 -23.613 10.564 -12.930 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 -6.112 -3.412 -7.950 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 -13.765 -4.918 -9.693 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 -9.641 11.735 -7.745 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 9.168 4.018 1.428 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 1.663 19.124 -17.976 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 34.921 3.858 9.586 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 -0.055 5.471 -7.113 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 2.001 1.716 -2.721 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 2.223 1.388 -2.776 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 -2.339 -5.322 -3.213 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 -13.634 -2.860 5.292 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 -7.758 -10.910 -17.061 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 2.203 -1.267 8.150 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 12.506 5.306 -0.379 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 0.565 -1.007 19.655 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 -5.438 -5.856 -5.450 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 -13.640 -5.544 2.998 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 1.486 -1.033 -3.998 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 5.835 7.589 5.098 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 4.184 11.524 2.365 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 6.697 8.669 3.356 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 4.583 -1.185 4.042 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 -13.266 -7.806 -4.837 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 -22.709 -21.282 18.554 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 -1.708 -0.197 5.108 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 -17.505 -3.512 13.869 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 -0.490 5.544 4.093 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 1.811 -3.695 -0.845 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 -24.779 32.452 13.006 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 16.504 -11.350 0.785 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 6.553 3.844 -6.837 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 -20.546 -8.430 3.294 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 -20.763 -16.008 -8.388 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 8.973 -0.840 0.926 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 15.810 2.186 0.285 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 22.778 -1.164 0.979 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 7.861 1.047 1.104 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 12.550 1.306 -4.178 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 8.719 -4.308 -5.112 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 -0.078 0.643 -2.325 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 7.867 2.775 6.688 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 6.900 1.263 -9.397 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 0.143 -1.401 2.072 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 -4.602 -0.270 2.062 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 -23.598 2.115 3.001 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 0.243 7.748 4.346 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 3.309 9.065 -0.957 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 20.993 0.368 5.236 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 0.906 5.817 -0.440 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 4.906 11.166 -15.592 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 -10.494 -2.163 0.989 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 -1.974 -0.981 -5.647 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 6.314 -10.617 -25.133 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 -21.418 8.949 -10.148 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 5.766 2.805 -5.850 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 -27.012 7.775 10.371 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 28.009 6.388 4.831 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 -2.474 5.453 2.336 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 -0.964 7.664 6.978 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 -2.888 -1.368 3.266 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 2.611 5.937 -7.194 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 14.705 -6.261 -26.820 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 17.761 18.067 -20.454 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 -3.112 4.526 -4.290 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 7.197 5.244 2.416 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 -1.603 -1.979 -6.570 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 0.756 3.352 -3.712 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 -3.734 5.606 -23.380 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 -17.603 -2.373 -9.553 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 -0.846 1.825 -2.801 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 -1.193 13.553 4.740 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 2.482 -6.474 2.947 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 4.948 2.692 5.852 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 11.140 10.524 -8.147 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 15.366 7.906 -17.627 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 -0.713 0.215 0.834 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 13.368 -11.961 8.153 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 8.289 9.377 -15.190 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 -1.673 -3.936 -1.163 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 -8.413 -9.296 14.675 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 -2.104 -7.456 -8.034 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 3.595 -0.702 -2.652 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 7.548 -1.677 6.499 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 -4.299 -0.764 -2.402 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 -1.986 -6.083 -0.350 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 -11.082 -3.162 4.747 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 -0.129 5.695 1.716 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 4.847 1.144 1.632 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 -16.259 20.845 21.492 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 -1.173 -27.011 13.437 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 -3.241 0.697 6.366 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 -6.700 0.605 -15.728 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 5.177 0.929 0.034 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 -0.309 -5.722 -7.642 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 -2.613 1.291 -1.496 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 3.355 -4.818 -7.191 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 -0.958 3.328 0.178 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 9.649 17.525 29.568 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 27.664 -14.025 -13.108 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 -4.744 -4.376 -2.820 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 0.813 0.537 19.357 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 5.473 -7.399 8.045 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 2.535 7.888 -1.801 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 4.553 8.091 -1.897 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 8.554 -17.425 -9.293 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 -1.323 0.660 1.721 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 -14.955 15.831 -15.769 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 30.913 -8.420 1.813 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 -5.496 2.015 -0.102 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 8.259 -2.471 -8.248 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 0.369 -0.244 -1.290 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 4.823 1.646 -9.898 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 -1.825 -21.660 -33.517 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 14.543 0.118 4.785 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 -7.091 -2.064 0.668 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 -14.229 -4.850 21.294 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 14.977 -6.537 -3.575 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 1.852 -4.532 4.884 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 5.074 5.927 -4.343 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 -2.429 23.234 -15.420 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 -4.245 0.188 6.245 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 -7.439 12.540 12.820 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 -13.028 -14.135 -6.388 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 0.412 2.302 -5.084 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 -4.886 -0.729 9.289 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 -3.208 16.936 4.510 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 -0.006 -5.814 1.023 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 16.236 -19.001 -10.545 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 -18.233 7.360 -16.413 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 7.430 1.024 -2.033 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 8.769 24.382 -17.036 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 -3.247 -29.392 21.153 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 -0.191 -0.065 -5.805 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 15.540 15.318 6.411 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 -15.940 1.414 -0.675 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 5.882 5.776 -6.193 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 -1.739 -3.114 -22.774 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 9.116 9.810 -5.939 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 -10.251 -7.456 2.177 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 2.845 -11.442 4.928 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 -7.837 -4.096 9.562 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 1.700 -0.867 -4.549 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 -7.003 -2.123 5.787 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 9.625 -13.064 -5.712 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 0.125 0.536 4.482 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 19.936 -5.497 6.425 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 -6.898 -2.419 16.303 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 -6.049 -3.867 1.888 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 0.745 -1.300 10.254 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 3.044 3.308 -14.196 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 -3.497 -4.070 9.115 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 -4.521 5.859 21.262 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 -18.541 2.308 -12.140 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 -4.186 2.965 2.019 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 -2.351 -1.529 4.171 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 4.899 2.677 12.998 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 5.318 -5.448 -2.096 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 14.387 -0.045 -8.293 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 5.580 8.426 4.395 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 1.570 9.325 6.539 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 18.867 4.629 12.865 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 -18.008 -8.019 -14.206 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 0.731 -4.766 1.288 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 13.238 8.683 12.416 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 14.535 11.169 16.160 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 -2.399 3.655 1.942 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 1.169 5.797 2.718 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 6.495 3.326 -9.939 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 -3.974 -0.023 -3.195 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 -15.856 -21.574 -0.067 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 19.748 -13.392 3.528 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 0.325 -1.686 2.567 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 -7.898 4.545 -4.952 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 0.613 -3.550 -8.489 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 -4.946 0.833 -0.588 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 3.237 8.639 6.087 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 14.030 2.902 -7.084 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 -4.777 1.456 -0.586 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 -25.914 -1.558 -0.660 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 -19.071 -1.448 -1.647 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 5.786 0.343 3.892 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 12.159 24.418 -2.327 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 -7.273 0.901 8.111 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 -0.936 -9.808 -6.941 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 0.806 5.872 -13.768 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 15.805 -16.378 -13.844 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 2.034 -3.922 3.885 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 6.959 -1.846 15.308 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 -0.868 -15.921 2.863 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 -1.099 1.330 2.971 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 5.479 -17.112 31.959 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 -22.158 6.609 15.481 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 -8.980 2.239 4.890 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 7.960 -9.709 8.687 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 -9.732 3.769 2.032 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 -3.396 -4.351 4.113 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 -3.061 -0.373 -4.270 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 -7.241 1.491 5.506 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 -9.898 2.491 -0.852 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 -10.455 -16.239 0.833 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 -8.235 3.460 -1.658 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 3.752 2.400 0.624 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 8.641 5.731 6.751 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 -0.013 -4.092 4.502 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 -0.647 2.984 -3.157 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 -6.644 3.372 -5.006 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 -1.751 1.664 -0.008 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 11.311 6.437 1.532 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 8.902 3.185 -4.799 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 10.503 4.712 -15.731 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 -2.439 2.583 1.710 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 -17.367 -30.177 -9.580 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 -9.814 29.624 -20.063 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 -8.866 -2.036 7.376 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 -18.020 -0.398 1.093 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 -8.811 6.024 1.091 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 6.460 4.480 2.622 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 20.081 20.966 -5.278 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 -12.764 16.679 -21.185 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 -5.038 -3.345 1.311 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 -7.098 9.820 18.297 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 -10.690 -7.534 2.012 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 3.763 -3.847 -4.256 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 -4.213 -8.413 -13.811 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 22.058 0.811 16.442 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 -1.888 10.385 2.882 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 3.665 4.508 -4.085 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 -1.350 8.070 9.635 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 1.661 3.647 1.380 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 -0.187 4.304 5.200 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 -20.193 25.766 -17.794 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 7.649 5.600 2.014 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 1.875 -13.037 -8.900 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 11.459 1.763 -2.347 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 -6.087 -1.683 -1.543 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 21.804 -0.516 6.136 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 -0.099 7.248 13.137 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 3.268 3.971 -5.048 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 -39.006 1.358 -25.958 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 -6.980 6.144 -14.823 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 1.172 -1.598 -1.551 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 2.168 7.275 21.067 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 15.164 16.282 22.707 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 10.567 1.470 4.621 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 0.862 -13.938 12.462 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 6.481 3.184 -14.668 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 -0.629 0.067 -0.599 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 -5.407 -18.709 -1.790 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 -28.097 -13.607 -6.526 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 -2.646 -3.934 2.099 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 -18.268 4.116 -7.511 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 -0.235 -4.659 8.026 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 1.062 2.315 0.258 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 -7.524 -12.080 -15.367 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 0.542 3.251 26.917 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 -0.202 0.359 1.394 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 3.950 -4.313 4.924 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 -7.105 -4.126 1.097 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 -3.474 -2.416 2.012 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 -14.304 11.045 16.846 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 -0.565 -26.170 -6.984 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 -0.531 2.554 0.067 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 0.774 1.532 -9.963 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 -3.011 5.909 26.025 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 3.623 -6.195 5.162 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 -9.974 -2.136 3.088 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 -10.244 5.884 -16.815 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 3.288 -2.292 -2.637 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 -2.131 4.496 2.150 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 3.134 -11.777 -26.085 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 4.506 0.925 -0.900 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 -8.705 -16.421 -17.986 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 1.659 -10.056 -7.181 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 -4.932 -2.953 -6.569 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 -0.325 -4.346 -21.017 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 -1.801 6.866 -1.054 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 -10.387 3.889 0.823 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 13.062 10.830 18.019 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 -11.732 -6.115 17.532 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 -1.118 6.747 6.298 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 1.145 3.742 9.484 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 -4.266 7.830 2.457 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 1.830 -4.972 4.006 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 4.117 3.229 -1.325 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 -5.130 10.097 8.053 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 0.955 -3.754 0.398 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 0.240 -16.623 -1.016 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 5.540 1.155 5.380 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 -2.292 9.426 3.461 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 5.452 -7.319 3.995 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 0.701 1.831 7.649 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 -1.706 -1.641 -0.997 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 10.289 14.266 -12.336 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 17.269 -14.768 0.016 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 -2.723 0.024 6.067 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 -8.527 -1.443 13.861 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 -7.867 -1.663 23.134 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 -4.961 -8.146 0.558 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 1.252 4.873 -14.383 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 2.638 7.781 -16.705 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 1.963 2.946 -1.981 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 9.870 8.322 -1.959 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 4.319 8.310 -0.045 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 -2.620 1.547 0.956 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 -3.742 -4.355 -3.555 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 0.682 14.363 -1.703 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 -6.848 -4.499 1.275 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 -10.869 20.439 0.070 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 -6.097 -3.222 -0.087 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 -0.105 -3.061 -1.023 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 -1.031 4.724 2.223 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 1.882 -14.683 -19.045 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 8.190 -2.307 -7.706 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 3.933 -3.322 -24.500 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 2.445 -9.472 -7.974 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 6.322 0.895 0.912 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 17.690 11.518 11.520 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 -8.724 -7.405 -4.494 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 -2.019 4.407 7.718 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 -9.168 6.382 -4.244 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 -5.422 2.423 -12.499 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 2.651 -2.207 2.143 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 3.063 0.855 4.970 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 -5.950 -2.121 1.752 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 2.186 -1.357 5.737 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 18.731 0.516 1.956 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 -17.911 -1.717 6.244 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 -4.214 8.776 -3.372 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 6.550 10.663 -1.047 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 -3.851 9.851 -12.704 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 -9.974 -0.330 2.721 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 -2.105 -6.734 -8.165 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 0.265 -6.712 -7.929 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 -0.884 6.461 -0.470 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 4.082 -0.058 -13.743 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 -4.171 0.420 -14.605 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 0.086 -0.913 5.906 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 -7.448 -33.680 -20.455 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 -26.964 -9.438 -2.233 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 4.435 0.527 5.631 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 11.505 -3.426 -7.230 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 4.878 4.500 16.109 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 -1.529 -9.362 -0.642 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 -3.104 -20.063 -16.404 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 5.818 -4.122 0.692 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 -3.400 -2.649 -2.093 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 12.568 -10.180 10.295 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 5.896 9.905 -1.831 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 1.686 6.896 3.227 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 1.789 6.901 2.763 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 5.456 7.409 4.173 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 0.081 3.214 -5.404 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 22.531 17.785 2.486 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 -2.893 7.013 -4.144 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 -0.568 0.691 4.946 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 11.204 6.098 -15.289 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 10.748 2.654 17.058 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 -1.247 7.172 -1.302 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 -8.316 17.356 -14.179 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 15.905 18.109 14.016 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 6.058 -8.570 0.485 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 -1.846 -20.988 -9.167 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 -5.398 4.327 -11.440 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 2.428 1.023 -1.930 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 -26.555 -7.802 -3.890 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 14.978 -9.564 -15.119 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 -1.839 0.345 1.298 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 -1.904 -9.215 4.174 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 9.965 -4.255 39.630 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 2.167 -10.842 0.603 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 16.211 -10.568 8.005 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 -4.151 -2.355 -10.645 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 -2.113 -4.805 0.285 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 -5.165 -18.488 1.787 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 9.676 13.518 -11.569 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 2.595 0.192 -5.570 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 5.398 -3.668 -3.415 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 -2.445 -3.462 3.792 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 3.703 -1.383 -0.486 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 24.731 -2.610 5.089 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 -1.815 -3.769 -6.591 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 -0.224 -4.846 1.106 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 9.703 5.053 31.099 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 -13.286 5.369 -9.719 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 0.394 4.057 -4.779 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 7.033 34.426 -14.379 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 -0.985 8.359 -8.033 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 -3.347 3.824 -5.722 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 -14.522 0.387 11.877 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 -20.615 -0.924 -11.571 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 -2.813 -0.022 0.384 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 -7.666 -3.949 -6.267 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 -29.835 -10.260 -13.484 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 -6.395 1.822 -0.254 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 -18.339 0.429 19.357 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 -6.123 -2.889 -2.247 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 1.612 1.583 -0.029 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 -1.487 -1.548 -19.811 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 -7.048 4.678 12.120 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 -0.541 -3.760 -0.150 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 -32.934 -24.613 22.596 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 2.513 -1.982 21.259 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 3.877 3.250 -6.707 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 -2.892 -29.698 -7.985 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 4.538 -22.797 21.572 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 -1.327 -0.328 -5.692 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 -10.530 -6.710 6.919 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 3.294 2.527 -12.045 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 4.760 2.063 -5.074 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 1.146 6.769 6.893 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 12.666 -2.561 -4.450 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 0.381 0.776 -3.818 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 9.688 10.840 -2.809 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 -9.490 7.553 3.471 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 4.832 2.379 4.202 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 -9.545 -9.042 -21.569 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 9.260 39.563 21.265 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 -1.244 2.589 3.055 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 -8.288 -2.447 -10.186 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 9.427 -19.656 -3.933 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 -0.271 5.401 -1.341 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 4.740 -1.301 -24.835 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 7.992 -1.822 1.264 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 -3.857 1.815 -5.578 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 -1.636 -3.742 -3.563 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 20.477 17.045 21.407 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 -4.330 2.213 -1.877 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 -7.085 16.106 -7.310 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 -15.022 -7.221 3.358 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 1.666 -8.985 0.938 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 -4.378 -11.489 3.154 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 5.488 -12.594 0.135 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 -0.625 -6.539 2.882 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 -10.549 8.828 -2.322 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 4.191 -13.640 33.531 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 -4.339 0.712 2.134 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 23.852 -34.860 6.714 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 -0.592 -20.122 -4.231 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 -1.023 -7.174 -2.186 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 -2.719 -5.324 13.491 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 -27.465 33.763 -17.804 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 2.049 0.777 0.749 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 -16.777 2.012 -21.755 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 -7.187 -1.872 -7.087 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 3.490 1.875 2.549 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 -1.584 -0.086 -11.787 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 5.956 -6.551 15.535 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 -1.213 -4.095 1.148 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 0.654 -14.320 1.367 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 -11.674 -3.760 -0.231 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 1.988 -0.457 1.206 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 -3.897 -3.772 0.087 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 3.763 2.601 2.687 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 -0.504 4.235 2.365 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 17.756 1.142 9.444 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 -12.873 3.052 0.967 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 0.526 -1.633 -1.343 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 -9.482 20.752 -0.048 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 -11.618 -12.946 -18.889 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 0.376 -4.332 -0.308 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 7.637 2.431 -27.619 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 10.015 -4.957 -2.235 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 -3.475 -2.934 1.455 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 -0.169 -12.559 -8.691 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 -3.518 -8.175 0.046 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 -0.194 -0.697 0.846 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 2.600 0.660 3.611 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 -5.137 0.144 -5.198 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 2.531 3.877 1.766 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 1.068 -4.925 -9.797 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 -9.242 -12.453 11.950 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 4.166 0.707 -3.857 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 1.992 4.302 -21.888 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 1.133 0.412 -7.026 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 0.614 -4.253 0.950 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 -8.456 0.450 8.066 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 4.868 -4.906 1.821 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 -2.493 -4.657 -2.549 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 9.525 12.899 -10.110 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 -9.104 -0.334 31.907 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 4.006 0.160 0.192 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 -7.403 2.970 -1.173 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 20.886 7.590 9.010 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 0.163 2.806 -3.238 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 -10.887 6.379 -20.073 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 16.839 0.042 -18.131 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 2.461 1.661 -0.849 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 -10.222 25.237 2.822 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 5.412 -29.100 -6.655 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 6.206 3.431 5.076 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 16.232 15.321 -4.434 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 6.605 6.899 4.111 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 -2.963 -3.509 6.382 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 4.720 3.406 7.363 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 -12.113 -9.960 4.368 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 4.840 -5.502 4.257 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 4.275 2.975 -19.320 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 -2.745 17.443 4.047 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 2.334 4.316 -3.994 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 12.623 28.945 -1.339 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 -3.293 -0.624 -5.998 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 -2.022 -0.438 3.553 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 -5.115 -0.144 5.075 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 6.717 -25.923 -0.113 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 7.749 4.674 -1.423 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 -5.590 -3.116 -0.489 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 6.625 14.306 15.994 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 3.607 -6.144 6.851 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 -4.076 5.090 -26.890 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 -9.676 19.524 -4.608 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 0.516 -0.453 -5.503 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 1.997 -6.946 -5.762 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 -7.531 -0.021 -8.059 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 -5.799 -5.267 4.035 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 -1.779 -9.915 21.900 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 -17.061 1.901 6.757 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 2.341 0.693 -4.613 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 -19.133 9.779 21.193 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 1.242 -0.220 16.569 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 -1.277 -4.403 -0.925 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 -9.716 19.326 20.382 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 20.417 -12.397 16.731 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 -1.054 -2.224 6.763 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 -23.817 14.488 -18.466 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 -2.225 -0.271 3.601 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 1.687 -3.746 4.705 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 1.437 -6.687 4.416 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 8.386 -6.541 10.172 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 0.336 3.521 8.068 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 18.884 14.500 32.105 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 26.939 -20.222 22.220 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 -1.221 0.309 -1.697 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 1.695 21.089 0.820 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 -2.599 -6.218 0.481 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 3.244 7.412 5.646 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 4.778 16.837 11.150 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 11.677 17.009 -7.642 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 -2.290 -0.837 3.408 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 -2.469 -0.226 6.140 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 9.863 9.604 9.556 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 -3.342 -3.206 0.044 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 -2.263 -15.986 7.220 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 -3.820 -9.541 23.706 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 0.227 -1.500 -0.448 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 2.342 16.033 8.137 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 -17.029 -14.261 2.634 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 -2.752 -0.523 -2.167 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 -5.581 -17.864 23.877 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 -22.633 15.567 -4.504 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 -1.466 0.096 0.985 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 -11.434 0.437 -11.186 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 12.439 0.138 16.663 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 -0.515 2.312 -7.489 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 -2.993 -27.328 -10.647 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 6.095 2.943 -8.222 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 -1.265 1.167 1.737 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 13.077 -24.866 -4.894 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 -29.108 3.281 -21.312 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 -7.417 -0.124 5.397 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 2.277 -18.493 -6.866 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 -21.957 -10.229 16.289 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 1.966 8.610 0.267 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 17.275 -10.438 2.300 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 -10.974 25.856 2.523 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 12.378 1.864 7.420 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 -9.793 4.458 13.468 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 18.592 -0.463 -16.101 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 -3.519 4.502 -4.526 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 4.102 13.920 -18.387 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 -7.375 -1.786 3.813 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 0.456 3.520 -4.385 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 -1.201 4.922 18.661 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 -2.930 2.410 -17.106 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 1.718 -0.684 -0.818 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 -10.583 -21.574 7.057 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 5.166 18.587 7.492 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 3.472 3.849 -0.971 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 7.475 -19.580 -2.932 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 0.837 21.062 -14.521 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 10.304 -3.945 -6.604 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 16.570 3.653 -2.504 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 3.563 5.185 0.410 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 -0.712 3.610 5.396 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 0.366 -19.334 4.785 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 23.781 18.960 25.160 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 4.655 -4.758 0.277 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 4.179 -8.157 3.027 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 7.178 9.508 -8.238 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 -6.240 4.275 4.819 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 -17.360 22.351 1.678 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 -7.138 -13.390 4.760 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 2.802 -5.953 -9.061 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 8.630 -10.498 -5.884 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 12.630 -10.539 -6.315 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 -3.976 2.233 -4.085 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 -4.393 3.170 -6.435 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 -8.571 1.709 -2.407 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 9.819 -4.891 6.479 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 -20.355 -1.786 -0.845 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 -3.754 -19.291 9.965 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 2.117 1.794 -1.374 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 -13.157 23.829 -3.605 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 20.502 -6.868 -2.593 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 -0.615 -1.108 -1.796 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 8.268 26.851 -2.014 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 7.188 27.028 5.676 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 5.348 2.467 5.244 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 -5.881 34.431 -0.011 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 -1.519 1.538 10.025 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 0.543 -5.539 1.407 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 -2.582 4.968 -13.004 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 -2.641 -11.413 14.808 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 -0.103 -2.110 5.803 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 -3.342 10.224 9.817 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 0.588 9.108 13.880 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 5.949 -3.227 1.159 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 14.769 -8.003 -3.803 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 5.177 -7.713 8.666 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 5.970 -1.347 2.131 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 16.299 4.903 18.339 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 -2.260 -6.942 -12.613 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 -7.268 -3.213 -5.644 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 8.026 -5.166 4.817 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 -1.439 -1.914 -22.683 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 -5.997 0.719 -0.837 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 -4.765 10.604 -0.783 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 -5.803 5.565 -0.567 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 -2.650 2.545 -2.959 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 -5.667 -5.028 -16.602 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 13.879 -0.564 -2.281 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 -3.471 0.133 6.030 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 5.814 -3.294 26.955 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 -3.601 -20.711 -7.629 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 7.018 1.973 -3.487 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 -6.708 50.400 4.313 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 10.787 12.522 -1.609 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 -4.529 3.088 -6.781 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 -6.142 -11.573 -14.588 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 -3.225 19.310 -10.804 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 3.806 6.806 7.324 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 -7.989 5.990 13.188 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 -21.309 -14.920 -13.997 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 1.058 1.455 -0.586 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 7.946 -8.194 -8.705 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 5.200 -2.168 -9.718 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 -2.934 3.538 -2.092 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 -6.927 -4.430 -1.571 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 -2.046 -4.237 -3.748 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 -1.323 -3.349 1.219 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 -7.892 -11.842 -16.569 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 -27.035 18.596 0.869 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 -5.299 2.873 2.833 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 3.562 -3.351 -13.165 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 -5.898 7.175 1.583 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 -0.998 -4.176 -5.578 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 7.913 -9.872 2.619 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 -1.896 -2.539 -3.659 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 1.530 6.263 3.987 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 18.547 6.228 -4.493 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 8.282 17.468 16.734 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 -4.685 -0.521 0.722 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 -9.029 -18.562 -8.423 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 -16.695 1.142 10.779 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 -1.177 -3.830 -0.757 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 1.881 -22.459 9.082 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 22.759 6.696 -8.016 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 0.464 -1.730 -0.083 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 -1.559 1.575 -2.183 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 -5.724 6.851 -15.135 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 -2.816 -5.100 2.703 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 -0.005 -2.092 4.314 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 -0.063 -11.303 3.841 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 -1.205 -1.422 -8.218 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 5.764 -1.883 -4.574 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 12.221 54.445 0.606 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 -4.432 -4.096 1.226 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 -8.049 24.068 -3.577 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 8.436 -16.298 -4.031 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 1.044 -2.093 3.329 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 5.338 -20.984 1.680 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 -7.527 13.119 -10.145 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 0.438 8.376 -3.745 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 15.301 12.265 -7.364 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 -23.096 28.148 -5.023 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 -2.267 3.607 1.242 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 -1.209 -8.026 0.038 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 18.209 -23.079 -3.762 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 6.358 3.035 0.838 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 10.115 -11.716 12.395 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 -11.201 -12.173 -0.717 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 -6.050 -4.181 6.735 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 -1.510 8.090 16.923 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 3.820 -12.935 -7.863 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 2.856 -4.234 1.249 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 -11.959 -15.623 -4.657 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 14.001 -1.754 7.853 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 -4.288 3.256 -2.324 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 0.314 7.207 -5.608 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 -10.029 3.344 1.614 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 -5.081 7.945 1.990 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 -6.559 23.510 9.021 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 -6.950 7.669 0.285 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 -1.463 3.204 1.110 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 -6.450 9.239 3.862 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 4.341 -1.264 -19.261 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 -0.661 -0.123 1.344 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 26.837 3.349 10.854 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 -3.244 -21.580 -8.113 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 -1.743 2.748 -4.138 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 -7.234 3.161 -5.589 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 1.298 8.350 -1.967 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 3.722 -1.322 -4.598 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 12.837 27.237 -13.022 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 -1.492 18.193 0.137 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 5.494 -2.751 3.570 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 -22.055 23.165 -2.607 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 -5.143 8.224 0.148 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 -1.624 5.988 5.724 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 -13.623 2.132 -8.004 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 -2.428 11.051 2.664 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 5.597 6.080 -7.653 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 -1.097 -3.936 12.042 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 0.000 -2.031 11.494 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 -0.036 0.987 -3.885 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 -1.711 0.835 -5.597 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 2.503 -4.838 7.035 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 0.289 1.411 -2.098 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 -5.512 10.111 10.713 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 -11.961 -0.445 -8.562 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 -0.730 3.515 4.734 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 -7.163 5.148 2.145 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 1.160 11.513 -3.446 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 -1.064 3.220 -0.029 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 -25.433 -15.775 7.475 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 -16.097 16.423 1.182 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 -6.012 3.118 -0.144 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 -9.374 5.689 6.364 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 -11.927 5.075 10.769 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 2.646 0.897 -0.262 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 15.010 -11.831 -5.521 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 -14.012 -8.477 15.099 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 1.080 3.071 2.422 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 -0.576 6.108 3.804 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -8.374 8.947 5.465 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 4.791 0.341 -1.959 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 -0.703 -5.308 4.207 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 14.018 5.638 -12.482 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 1.131 -0.941 2.067 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 1.297 -1.988 13.492 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 2.882 -5.803 4.308 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 3.707 2.090 -0.941 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 14.659 -8.505 2.163 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 -0.970 -3.718 11.910 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 0.019 -2.284 9.484 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 7.523 13.015 -14.644 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 -11.408 -28.392 -0.189 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 -2.800 3.702 1.158 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 9.238 -6.217 9.871 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 2.023 -1.363 5.204 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 -2.323 4.648 0.698 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 26.699 0.911 13.657 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 4.630 -13.198 -10.134 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 3.129 -1.942 -2.278 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 21.805 -12.120 -0.768 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 -5.624 1.945 -2.253 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 1.710 1.511 1.864 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 2.974 -4.085 -8.385 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 8.978 -3.466 9.693 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 -2.097 -3.713 3.325 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 -1.212 -7.227 -5.062 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 -15.635 9.097 -7.038 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 -3.357 -8.346 -7.361 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 -7.692 -4.374 -26.502 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 -1.448 -20.721 -7.414 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 -0.326 -5.497 2.522 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 -4.617 -4.704 2.339 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 2.275 -13.069 1.742 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 1.295 1.809 -2.014 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 -1.999 1.040 11.331 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 -2.613 -2.240 -4.939 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 -1.925 3.128 2.765 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 11.312 9.812 -12.999 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 -6.179 0.627 9.708 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 0.052 -2.718 0.761 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 -0.390 -6.324 -13.783 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 5.269 -9.864 -6.530 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 2.657 -3.242 -1.857 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 21.117 8.164 -0.774 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 5.596 -12.305 2.268 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 -1.672 -4.469 -4.583 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 0.130 -14.267 8.534 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 9.827 -4.585 -11.140 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 1.370 3.870 -8.983 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 -0.001 -9.318 4.616 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 8.875 10.463 11.188 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 -3.351 0.405 -2.823 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 -3.062 3.878 3.148 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 1.320 6.282 14.891 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 0.797 -0.666 2.728 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 -0.250 -0.490 6.085 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 -2.444 15.141 3.657 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 5.937 -1.303 -3.349 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 -2.683 -8.862 12.948 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 -15.033 8.349 17.340 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 2.330 -1.777 0.871 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 13.974 -8.682 7.891 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 -9.557 1.812 2.096 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 -1.733 -6.325 -0.546 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 15.069 -2.382 13.941 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 -4.431 -5.891 -0.990 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 -1.027 -1.238 2.635 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 -19.777 5.766 14.688 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 15.398 12.385 -1.361 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 -0.483 -4.201 -0.945 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 -4.912 10.541 5.700 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 -2.110 5.597 2.489 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 0.117 1.132 3.648 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 -13.154 -5.234 16.438 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 -6.366 4.091 1.300 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 -5.027 -0.605 -4.658 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 -5.063 -7.686 3.044 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 -3.627 -11.048 7.046 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 0.280 -5.481 -1.042 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 4.188 1.464 14.545 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 1.720 4.972 2.275 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 0.109 -7.518 -0.095 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 -6.980 20.190 -8.027 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 5.344 -26.483 6.561 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 1.408 3.676 1.207 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 0.256 -0.312 24.754 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 -18.080 16.500 -2.632 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 5.701 3.328 -1.838 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 4.131 -22.663 6.964 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 6.685 -26.903 4.114 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 -1.794 3.088 -4.781 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 4.495 6.291 5.860 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 6.822 -1.370 -11.995 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 -1.219 2.297 -11.245 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 6.520 1.770 -10.759 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 2.159 -8.623 5.831 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 -0.187 -4.677 -3.045 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 -8.830 -3.651 0.361 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 3.659 2.636 -1.044 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 3.764 -5.426 1.619 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 -0.170 -12.093 3.986 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 -12.736 -23.221 6.295 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 -1.111 -7.385 -1.038 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 1.734 0.894 13.137 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 -25.660 0.003 7.027 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 -0.201 -3.203 -7.555 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 -21.875 13.416 16.035 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 5.794 -6.424 -9.338 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 -1.535 1.445 5.635 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 -22.092 3.088 3.665 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 10.261 -15.206 0.925 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 4.632 -5.315 3.170 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 8.801 -3.113 -25.762 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 -29.792 9.113 -15.126 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 -1.922 3.087 -3.710 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 -6.263 15.292 -7.224 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 1.518 -6.473 -1.123 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 -1.989 -0.791 -2.133 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 -1.872 -0.013 1.447 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 -5.576 -0.131 -2.897 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 5.761 -7.039 0.366 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 5.487 -15.686 1.323 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 2.404 -21.586 7.012 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 6.568 0.470 4.881 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 12.132 10.246 4.110 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 19.059 -15.501 16.954 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 -0.318 -1.913 -8.523 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 4.397 -7.483 -16.208 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 -4.477 22.215 -8.521 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 -0.582 -9.516 -5.586 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 4.783 -2.783 9.048 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 10.651 6.099 3.757 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 -12.372 -1.191 2.982 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 -6.557 8.143 -7.388 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 -18.686 -7.871 -4.582 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 2.786 1.408 3.781 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 4.099 7.523 3.164 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 4.813 3.540 -8.165 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 -0.954 -0.577 5.672 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 11.807 5.090 -8.704 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 3.727 12.144 -8.163 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 -7.315 5.746 0.104 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 -14.439 -18.270 5.668 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 -3.606 16.922 -2.667 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 8.568 7.458 -0.499 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 3.007 -1.704 12.493 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 -14.887 -6.014 25.542 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 5.844 -6.551 3.243 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 22.974 -3.725 -11.689 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 -6.946 -24.019 -5.249 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 -0.884 -1.128 -1.640 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 -10.618 6.152 13.371 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 -22.283 6.184 -4.438 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 3.144 -8.347 1.245 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 -6.591 -10.856 0.262 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 9.095 -2.193 -2.848 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 1.921 -1.347 3.194 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 2.544 -4.798 -0.165 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 7.561 -9.476 4.524 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 7.469 8.040 0.098 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 1.845 3.340 -20.369 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 17.024 7.804 15.224 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 -6.185 2.555 -2.695 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 -7.622 -10.787 -8.960 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 -3.881 -1.734 13.510 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 -2.062 4.404 3.553 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 -0.967 11.595 6.763 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 -4.579 -1.408 -5.255 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 -6.504 1.219 -0.856 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 14.381 7.868 11.258 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 -9.521 19.107 -1.333 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 -0.606 3.980 11.083 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 -15.171 -1.017 14.009 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 11.862 16.138 6.910 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 -5.682 0.874 -3.379 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 -9.272 24.816 -9.050 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 -15.493 7.313 6.659 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 11.310 0.219 -2.005 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 -6.017 18.819 -25.678 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 15.766 -1.360 -6.631 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 -2.128 -0.259 -5.912 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 -20.472 8.665 -16.788 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 0.177 -5.401 -3.291 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 -1.443 1.465 3.242 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 -1.883 0.807 8.643 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 3.446 -13.613 -9.683 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 -3.206 2.046 -1.919 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 -1.801 -10.504 20.883 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 -29.041 -2.907 -0.083 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 0.753 0.090 -9.553 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 15.198 -6.386 3.458 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 -4.968 2.104 -13.684 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 -2.093 3.722 0.672 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 -2.060 -11.549 -7.420 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 12.989 10.739 -0.157 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 0.895 9.408 0.208 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 15.464 15.453 13.523 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 -7.257 23.428 -12.967 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 5.015 -1.020 -2.907 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 -3.520 -7.441 -2.583 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 -5.326 -21.576 -0.123 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 0.991 -5.833 -6.740 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 2.491 0.993 -2.844 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 -8.011 -3.464 -15.799 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 -0.652 -0.757 4.283 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 21.981 -3.042 -8.675 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 14.194 0.732 -8.356 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 -1.970 11.073 3.658 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 -12.436 19.520 7.780 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 -8.494 -11.202 -3.187 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 7.728 -3.484 -0.047 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 -8.688 4.622 13.427 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 39.463 -12.557 -29.898 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 0.844 3.797 -5.131 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 -2.375 1.030 -23.747 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 29.607 -11.824 -1.000 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 5.219 -5.761 -3.961 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 -3.417 1.677 -30.484 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 -1.829 -2.306 -20.866 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 -1.105 1.803 7.574 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 10.907 9.532 0.361 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 -19.027 8.039 -25.065 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 -1.971 -0.500 -2.316 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 -1.153 8.481 1.624 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 -15.185 7.209 -6.996 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 -3.648 -8.771 -1.456 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 6.595 -28.067 -3.939 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 15.622 -20.018 -15.074 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 4.279 3.218 -0.018 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 -5.258 36.110 -14.072 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 13.170 -23.553 -0.431 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 -1.663 -1.206 -2.688 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 18.717 -9.295 19.724 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 -13.806 5.922 -3.748 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 0.699 -0.310 -1.054 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 -0.705 -3.611 -5.696 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 1.994 7.835 0.881 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 -3.610 -0.819 -6.560 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 1.094 -3.659 0.556 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 23.296 48.034 -4.371 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 -0.493 -1.400 0.163 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 6.627 2.529 12.764 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 -10.060 -1.793 -10.945 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 -9.879 -5.219 -3.326 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 -14.143 6.836 -1.640 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 -8.073 -13.374 -5.728 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 4.783 -3.878 9.331 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 -1.967 -9.278 -20.886 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 -10.058 -4.426 -0.036 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 -2.571 0.232 -6.147 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 -7.837 1.735 0.064 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 -33.939 -6.217 -5.196 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 2.134 6.330 3.093 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 14.749 9.394 -13.578 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 3.600 9.401 -0.493 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 1.654 4.224 0.647 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 -1.377 8.091 8.537 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 -0.900 -15.839 -9.424 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 4.660 -1.156 -4.191 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 -7.400 -5.850 -21.224 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 -8.046 -12.586 12.143 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 5.315 2.934 -2.455 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 -12.238 -5.025 -1.951 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 -13.934 -1.094 15.187 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 1.545 -0.793 0.068 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 -1.414 0.740 24.519 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 3.006 -4.571 -18.345 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 -7.451 -2.184 -4.068 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 -8.947 -3.961 -2.678 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 -6.491 11.788 -5.631 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 0.820 -2.518 -5.215 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 10.545 -14.948 -22.151 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 -6.591 -3.606 -18.379 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 3.296 1.472 -2.368 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 -3.086 -9.020 -2.194 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 -1.153 0.884 -22.632 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 1.972 -4.157 4.157 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 -19.210 17.629 19.186 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 -15.860 14.396 25.722 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 -0.946 -1.675 -9.044 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 9.518 -23.096 14.569 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 3.553 -14.353 1.961 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 2.627 -5.528 1.156 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 -2.258 -2.253 -8.801 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 -13.773 5.284 -5.209 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 1.077 -7.338 -2.896 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 6.451 -9.422 -24.928 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 8.386 -11.431 -6.717 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 -2.984 3.674 -3.458 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 -10.923 -1.441 -12.542 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 -4.907 -3.904 -7.573 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 -0.648 5.979 6.446 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 5.362 -1.837 6.347 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 3.473 12.985 12.029 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 -0.947 2.368 0.731 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 -12.792 -3.095 6.148 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 9.070 -9.507 -10.605 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 -2.908 3.303 1.456 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 -15.002 -6.919 0.146 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 -8.928 21.811 -2.235 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 -6.174 2.474 -2.566 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 19.664 14.306 5.080 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 -17.918 20.097 -17.070 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 4.192 -2.239 -4.636 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 6.073 -6.127 -13.418 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 -4.511 2.263 -11.285 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 -0.436 0.426 -0.391 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 36.392 -10.282 9.515 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 -10.336 -6.956 -1.734 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 7.648 4.108 -0.081 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 -7.258 3.950 15.652 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 25.389 11.792 6.673 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 0.672 -3.515 2.768 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 29.839 -1.268 -13.089 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 -9.454 -14.943 -0.172 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 -3.227 4.318 -0.691 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 -6.131 6.471 -0.527 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 -2.304 7.838 0.929 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 -0.237 11.658 0.455 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 -15.375 5.154 8.846 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 -28.927 11.597 -9.747 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 2.667 7.338 -1.158 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 7.112 -2.307 7.398 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 -6.296 -1.281 -11.770 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 -2.959 -3.747 -1.017 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 -27.133 18.336 5.291 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 -5.726 -1.084 0.052 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 3.847 -0.080 0.695 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 -3.979 -2.729 19.506 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 2.137 3.099 -7.849 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 3.023 -2.962 -3.894 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 -11.022 -12.132 -12.920 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 -0.620 7.684 3.958 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 -1.235 4.608 -1.174 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 25.704 -5.018 6.189 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 -25.434 16.142 -7.194 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 1.563 -0.421 6.869 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 9.875 -8.793 10.468 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 8.733 5.287 13.596 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 -10.438 -3.407 2.824 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 -11.945 25.372 -11.019 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 -9.391 -30.458 11.197 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 -1.675 1.421 -0.340 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 -15.222 -6.375 -3.776 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 15.951 13.011 4.129 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 5.299 -4.299 -0.389 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 17.854 -9.042 6.854 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 8.862 -12.771 -22.543 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 1.302 4.707 -0.599 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 -10.460 1.796 -0.883 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 -15.504 4.367 8.287 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 -0.842 -3.874 3.635 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 0.954 8.555 -9.079 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 7.528 -4.498 -14.018 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 -5.545 4.545 5.062 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 4.014 19.121 7.786 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 -12.905 -4.988 3.496 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 -4.804 -2.146 2.282 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 -1.488 -14.898 -6.234 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 -2.174 12.078 4.965 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 -7.905 -6.168 1.681 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 -1.898 -1.716 -17.923 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 -13.306 2.715 2.642 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 1.048 4.115 0.525 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 0.163 -2.061 24.259 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 1.966 -10.906 -11.446 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 -0.280 -0.028 3.791 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 20.768 7.125 -27.054 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 -17.878 12.093 17.560 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 -1.884 5.241 3.472 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 17.169 -13.084 11.434 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 -0.909 1.404 3.320 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 6.209 0.191 4.796 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 29.271 17.340 10.265 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 10.887 -12.898 21.751 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 4.351 -2.942 8.372 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 -14.652 -13.384 15.283 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 16.569 -6.144 -1.655 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 -4.753 1.948 -3.192 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 8.618 -27.571 20.143 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 -7.944 13.617 -9.195 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 -1.839 0.555 -0.889 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 9.877 -4.368 -0.367 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 0.540 -13.491 6.682 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 -1.351 -2.432 1.500 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 -1.784 -4.386 -3.444 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 -2.772 24.959 -17.075 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 0.487 2.476 -0.418 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 1.328 -3.719 0.190 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 22.257 -41.111 -0.980 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 -2.163 -1.427 -4.371 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 4.244 2.277 21.070 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 7.275 -2.413 1.168 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 1.473 -0.219 -0.972 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 -8.385 -26.258 -7.088 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 -4.423 -3.798 -15.145 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 4.233 -2.182 4.053 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 3.594 10.900 20.371 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 20.167 8.451 0.493 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 -4.782 -2.391 4.670 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 -7.694 -9.968 11.313 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 -11.231 -9.665 16.345 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 3.076 5.300 4.840 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 -14.382 -7.446 4.842 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 23.448 -2.523 9.735 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 2.634 1.920 0.272 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 -3.897 -11.933 4.439 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 4.008 1.436 1.550 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 1.674 -0.617 -0.419 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 2.674 -1.932 -7.157 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 14.550 30.456 8.165 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 3.659 2.229 -1.745 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 13.844 36.476 -7.754 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 -6.423 3.923 -17.714 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 1.183 1.620 -2.471 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 11.623 5.966 -6.502 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 -14.161 -17.214 -12.497 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 -6.404 -2.185 -0.131 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 9.913 2.067 12.717 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 -18.122 17.724 -5.381 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 2.417 -7.382 2.404 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 4.537 3.026 18.069 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 -2.207 19.136 -10.224 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 2.497 -2.060 -3.540 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 2.544 2.055 5.316 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 -9.763 -3.291 -1.738 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 0.985 0.217 -5.628 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 0.628 18.086 -7.374 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 21.813 0.111 -16.363 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 5.843 3.900 -3.120 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 -2.018 7.109 -6.811 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 7.826 7.795 -5.462 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 2.777 -0.023 -1.324 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 -3.129 -15.747 -15.314 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 -8.696 14.810 -4.079 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 0.407 6.542 6.129 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 2.445 -0.897 5.807 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 -5.322 -1.222 11.875 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 -1.756 -1.436 -3.971 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 -3.213 -10.874 6.835 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 -5.579 -5.215 6.240 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 1.870 -6.259 0.761 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 -24.156 15.852 18.861 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 22.605 -18.490 6.913 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 -7.089 0.725 -1.319 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 17.857 -3.362 18.753 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 -6.404 -2.295 -7.497 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 -0.867 -5.008 -4.042 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 9.757 34.796 -18.883 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 22.065 31.815 -21.221 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 0.869 -1.759 -4.858 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 9.168 16.934 7.616 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 -18.205 13.415 8.109 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 -2.156 -0.989 0.578 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 -8.688 -3.970 0.618 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 3.075 8.060 -1.897 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 0.531 -0.161 7.329 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 3.689 -14.497 7.229 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 2.370 18.617 -14.809 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 1.416 7.311 0.620 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 11.890 7.907 8.392 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 -7.029 5.872 -0.527 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 4.652 2.833 -0.005 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 3.130 -12.307 15.877 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 -5.252 -24.592 -10.383 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 -3.378 -0.637 -0.749 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 6.993 4.316 -5.761 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 -9.538 5.864 0.020 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 -6.200 1.811 1.468 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 -18.161 -8.869 19.027 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 -5.328 -0.623 6.378 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 3.090 0.451 -0.998 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 -16.394 5.582 -6.638 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 0.672 -4.870 -6.020 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 -1.005 0.714 1.390 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 23.954 -13.892 -14.026 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 6.608 -16.853 3.884 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 2.125 -2.645 3.688 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 1.427 -12.370 10.636 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 -6.539 -5.815 -4.271 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 3.228 -0.629 -5.929 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 3.974 -5.695 -15.903 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 9.539 0.332 -5.345 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 -1.098 -1.937 -6.676 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 -6.177 -1.881 23.189 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 -4.559 30.503 -7.940 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 3.794 -1.577 2.198 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 1.191 3.919 -3.820 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 -0.007 7.139 19.157 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 -4.271 -5.729 -2.900 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 13.667 -4.457 -28.531 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 10.934 -3.771 4.011 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 -1.678 -0.150 -3.313 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 -5.824 4.746 -18.681 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 -9.193 -14.918 1.046 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 -1.114 -2.472 2.055 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 10.299 10.247 -4.580 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 3.176 -14.024 -9.921 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 -0.199 0.653 3.131 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 6.308 4.138 10.919 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 6.112 -5.521 -2.868 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 -2.631 3.766 -2.729 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 -30.174 1.484 -6.655 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 -13.703 12.010 6.284 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 -1.618 -1.909 -1.817 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 -6.028 -4.808 -5.763 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 -1.270 -2.462 -9.776 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 -2.134 -0.082 4.900 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 5.417 -10.798 16.055 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 -6.407 -8.842 -8.846 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 5.367 5.606 -0.132 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 -0.558 30.893 19.972 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 -2.526 6.549 34.435 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 -3.405 0.861 -1.526 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 0.928 10.825 -2.237 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 -10.425 -4.482 20.568 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 -1.358 2.751 -4.125 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 2.548 -11.269 4.270 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 -21.397 13.120 -5.378 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 -3.258 -1.072 -1.134 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 -4.547 10.086 9.356 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 6.940 -26.202 5.256 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 0.623 2.825 -5.657 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 -13.928 10.411 2.973 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 -5.410 4.335 -3.188 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 4.033 0.095 2.470 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 3.147 -1.539 1.917 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 -3.709 16.818 -1.437 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 3.742 3.793 -1.129 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 2.847 1.423 2.964 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 8.025 1.491 10.299 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 -2.118 -0.784 3.570 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 5.339 6.201 -6.635 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 -1.895 1.460 -9.486 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 0.273 1.088 -1.053 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 -20.480 7.072 1.286 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 -2.329 -1.404 -17.614 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 -2.885 7.009 -7.669 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 16.184 -13.314 21.728 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 3.122 4.986 1.575 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 -4.305 0.863 -2.789 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 -3.897 -15.935 -7.997 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 19.481 -0.647 -9.613 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 1.884 -10.732 -4.809 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 -2.521 -17.314 -8.034 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 -12.454 -10.561 -8.413 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 2.507 -0.154 -0.985 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 -5.008 -17.855 -8.628 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 4.779 9.671 -7.294 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 6.918 -8.132 -2.352 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 11.135 -9.190 13.940 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 2.546 -2.973 -12.778 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 4.790 1.491 -5.656 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 17.161 12.846 -3.954 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 -1.814 -11.583 -7.674 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 2.888 -1.027 1.590 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 -6.176 -5.304 0.284 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 11.113 3.901 1.787 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 -3.676 3.633 2.221 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 12.619 1.511 -49.106 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 -2.533 -12.051 -7.922 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 4.547 -0.804 4.863 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 -2.884 -10.982 5.693 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 7.821 -9.558 5.553 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 7.443 -2.503 7.094 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 -4.465 -6.372 6.420 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 10.127 -15.356 9.520 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 -4.018 4.429 -7.180 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 12.214 0.289 -12.948 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 -2.346 11.012 8.900 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 -7.226 -2.790 -7.922 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 -18.367 1.510 -8.047 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 17.709 -9.285 23.464 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 1.289 0.408 -1.884 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 5.829 -10.064 -3.260 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 10.090 21.942 5.662 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 -0.457 -0.074 0.678 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 -3.110 -4.373 0.835 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 -10.514 8.624 -0.247 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 1.516 0.809 0.481 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 8.815 14.827 -9.623 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 -12.825 -0.249 -2.690 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 -1.924 -2.940 -2.585 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 1.869 -2.144 -3.218 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 11.635 13.144 21.398 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 3.316 -11.650 1.402 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 10.412 1.135 -7.431 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 1.667 -7.699 5.132 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 -0.161 0.006 -0.617 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 13.580 9.576 11.382 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 -6.402 8.451 5.857 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 1.042 -8.238 -5.036 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 -9.256 11.518 -7.898 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 3.220 -15.554 15.019 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 -3.867 -2.099 -4.216 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 -5.097 -4.728 7.552 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 0.258 -6.868 0.935 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 1.646 -2.167 -2.809 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 36.908 3.985 3.789 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 -0.702 1.151 -23.558 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 1.931 2.416 -1.759 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 -11.629 7.712 6.509 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 -17.088 17.529 1.404 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 3.464 -0.417 -2.504 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 9.310 4.091 -9.843 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 19.015 20.404 0.759 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 8.471 4.657 2.753 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 25.618 0.615 -12.745 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 11.664 26.364 10.525 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 -5.074 -2.685 6.728 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 8.131 3.868 13.118 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 -18.662 -3.283 -1.926 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 -0.786 -3.094 -1.908 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 -7.135 4.375 -15.814 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 -11.855 -5.968 6.135 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 2.950 3.841 -1.941 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 -8.171 5.603 -3.344 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 1.037 -2.361 -13.185 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 4.090 -4.203 -1.008 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 8.891 4.268 18.091 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 2.948 -3.373 1.571 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 -0.216 -5.390 0.694 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 -10.533 4.729 -2.639 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 -2.688 6.176 2.205 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 -2.585 1.058 1.236 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 -2.283 -1.046 1.914 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 -10.710 6.272 2.922 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 1.691 -1.168 3.783 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 2.729 -16.024 -10.582 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 16.754 -11.925 21.629 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 -4.115 0.769 4.228 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 -2.961 0.790 -4.905 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 -12.769 7.441 3.964 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 12.115 -0.457 -1.093 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 18.916 -0.554 5.667 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 19.272 -0.700 -21.888 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 -0.060 5.375 -4.602 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 -6.569 2.755 -4.374 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 -6.881 -3.916 4.277 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 1.468 4.859 -0.546 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 7.413 -7.886 8.600 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 -1.330 19.026 1.360 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 -2.060 0.223 0.406 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 -10.633 -9.875 -3.790 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 -3.956 -5.223 -2.914 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 2.335 7.686 -2.145 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 0.113 9.161 -18.585 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 -0.251 9.058 0.933 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 3.392 -0.830 -3.417 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 -21.572 -6.939 -21.777 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 -1.743 -2.205 -10.477 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 -5.516 0.285 -8.643 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 -3.556 -15.997 -8.288 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 4.407 24.390 9.263 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 -5.902 -0.024 0.633 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 3.597 1.188 10.569 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 0.668 -6.104 0.488 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 1.662 -6.293 2.812 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 3.864 -15.193 13.159 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 13.179 2.213 4.328 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 2.020 4.059 0.965 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 11.189 -6.470 11.593 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 1.966 -7.111 -15.259 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 1.321 3.571 5.837 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 -9.813 -0.824 3.576 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 12.060 -9.543 2.211 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 -3.538 -1.568 -1.062 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 -13.154 19.032 -17.444 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 -18.999 -7.031 21.391 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 -5.291 -6.270 1.022 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 4.096 -20.158 7.124 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 -0.654 11.450 28.336 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 0.397 -2.169 -4.556 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 0.414 -3.108 1.625 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 19.163 -20.619 -2.000 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 7.632 1.418 1.545 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 3.163 0.514 3.183 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 5.459 7.561 9.754 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 -4.928 -3.099 -0.117 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 -2.610 -1.797 3.890 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 3.967 -6.245 3.767 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 5.542 0.283 2.479 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 0.979 1.632 -4.484 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 -2.534 1.745 -9.037 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 -2.153 1.274 0.332 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 -10.032 -23.764 11.246 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 -15.360 9.488 21.717 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 7.667 -1.916 -4.623 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 5.213 -21.940 9.833 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 7.064 -9.586 9.181 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 -8.404 0.264 -2.392 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 13.683 -11.340 -1.215 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 -4.384 5.664 8.844 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 -2.943 2.132 13.150 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 -6.709 8.105 7.407 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 15.853 -21.203 10.218 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 6.606 -0.692 -2.120 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 -8.515 0.597 0.742 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 6.334 -8.700 -13.490 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 0.421 4.681 2.595 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 12.655 -0.262 4.643 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 17.813 -3.048 7.046 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 -3.178 6.203 -3.518 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 3.240 20.787 -3.296 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 -9.399 2.536 -0.773 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 0.817 -3.246 -2.794 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 -5.991 -1.996 -8.421 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 -3.132 -9.125 -4.650 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 -7.563 0.893 2.623 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 -3.353 4.175 13.363 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 -6.015 5.386 -3.501 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 -0.633 0.367 5.346 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 -3.068 13.191 13.083 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 -4.632 -7.774 -2.431 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 7.549 0.224 7.090 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 8.295 3.213 14.120 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 8.136 10.743 18.425 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 -2.591 1.010 -2.969 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 -10.829 2.660 3.741 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 -0.772 -12.934 -0.062 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 4.888 1.490 2.979 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 11.358 12.586 13.302 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 -8.058 -17.690 -26.903 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 2.855 3.065 2.914 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 -19.625 -4.873 9.234 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 22.954 11.086 -3.365 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 -3.942 -5.663 -0.403 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 -10.108 13.222 6.689 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 2.864 -4.746 -10.102 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 -0.161 5.170 0.948 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 16.489 9.639 -5.802 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 7.047 -6.096 13.495 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 -7.114 6.178 -1.525 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 -3.254 9.290 -4.088 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 2.045 15.183 0.468 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 0.449 -3.501 -1.289 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 -9.864 8.197 24.724 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 17.372 0.573 -10.249 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 5.554 0.878 -0.584 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 17.520 -5.886 9.213 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 -7.063 -4.209 -17.062 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 -6.657 2.764 -1.363 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 -9.562 -21.724 -9.314 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 0.031 14.120 6.977 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 0.070 4.899 -1.923 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 -5.839 6.880 2.781 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 -0.566 14.646 2.381 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 0.737 -1.529 2.189 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 0.188 -2.912 -28.197 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 -11.730 8.672 11.157 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 -0.188 -1.478 -2.724 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 8.461 24.116 18.255 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 -1.785 -9.923 -13.166 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 2.388 -1.663 2.021 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 -30.257 15.675 37.363 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 28.407 -2.659 -1.375 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 -3.587 4.931 -0.577 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 16.839 18.369 17.359 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 14.817 -7.209 -3.568 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 -1.599 1.142 -5.646 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 -17.569 5.077 -14.224 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 6.392 -3.477 -17.916 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 5.147 -4.871 7.788 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 8.254 -9.700 -3.338 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 -8.700 -3.029 13.713 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 -6.176 -1.194 3.936 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 -14.897 11.036 24.416 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 1.934 -11.019 -12.342 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 -5.104 -5.031 -6.731 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 -34.649 -9.129 -17.346 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 -0.439 23.393 6.343 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 -4.260 4.948 -3.758 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 -4.365 -3.344 -2.059 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 23.966 -16.190 2.780 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 -0.350 -5.883 -1.868 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 12.290 -12.790 9.407 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 -2.067 12.377 8.031 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 -3.926 0.011 1.901 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -8.502 -1.649 -5.652 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 8.110 -4.005 2.992 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 -5.971 -6.161 4.931 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 13.038 13.778 -9.880 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 -24.593 5.133 -17.005 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 6.483 -3.256 3.856 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 17.098 5.654 9.310 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 5.705 -21.941 1.171 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 -1.417 9.361 -10.453 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 13.421 4.400 -14.229 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 3.439 -1.322 1.547 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 -4.521 -0.740 -1.433 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 6.885 -1.078 -5.359 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 4.404 7.634 9.326 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 5.979 1.782 2.305 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 3.694 -0.709 0.672 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 -3.882 -4.421 7.007 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 -1.192 -4.741 -4.767 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 -2.890 -17.129 -1.050 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 9.370 -15.028 -4.417 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 -4.415 3.706 2.763 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 -3.006 11.458 4.055 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 -8.052 0.589 9.572 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 1.000 -0.729 8.766 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 2.263 -3.406 14.659 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 3.321 -12.031 -16.098 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 2.679 -3.457 -0.486 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 0.046 13.624 25.685 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 -13.630 -1.348 9.987 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 -1.723 -6.903 0.704 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 0.834 -11.585 0.056 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 -5.302 0.867 22.103 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 -2.536 5.872 5.367 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 -15.431 -17.934 23.974 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 10.793 -5.844 -19.303 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 -12.645 3.163 4.179 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 -1.679 -6.672 14.677 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 -2.822 3.029 4.371 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 2.710 -6.824 -6.264 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 5.835 -1.649 -1.615 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 -11.518 7.106 -18.968 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 1.617 -4.336 3.764 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 15.918 -26.191 14.895 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 -2.196 -10.028 -20.484 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 10.323 1.560 -1.981 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 5.903 -1.251 3.383 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 3.481 -3.274 -13.830 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 -7.048 -1.625 -3.433 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 -11.285 13.507 -2.852 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 -25.588 -9.123 -15.083 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 -0.680 5.054 1.292 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 -4.353 19.495 10.329 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 11.619 -4.734 -10.120 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 -4.939 0.214 -3.975 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 -9.384 0.078 1.038 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 -22.814 -3.433 14.102 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 -4.198 6.343 -1.019 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 -4.103 7.107 -0.272 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 -7.027 1.936 -3.322 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 1.957 6.820 4.062 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 -9.561 7.097 14.625 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 -9.201 -1.963 8.463 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 -4.557 3.563 -3.047 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 -3.490 5.418 0.192 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 -8.926 -46.818 -10.681 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 -4.057 -7.444 -0.389 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 5.899 1.282 16.501 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 -15.792 15.821 -11.947 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 0.582 -0.970 0.570 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 0.706 17.419 -31.402 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 -6.354 -13.533 -3.373 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 6.565 -1.164 -0.020 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 9.159 3.351 7.563 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 3.640 -1.977 -3.248 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 -1.522 0.998 4.782 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 -1.786 0.759 4.487 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 -7.331 -2.756 6.017 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 -2.031 -0.325 -0.209 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 -0.691 0.208 1.966 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 -7.026 -6.501 -3.817 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 -7.251 -4.308 0.615 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 -17.737 5.414 -8.631 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 -6.848 4.542 -0.516 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 -2.237 -0.022 0.570 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 4.429 8.853 25.195 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 5.463 4.722 7.371 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 0.680 2.838 6.401 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 -19.058 -4.588 15.629 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 13.871 -9.373 12.617 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 3.389 2.368 -0.219 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 -2.004 -4.774 4.733 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 3.325 -2.888 0.373 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 6.348 -1.076 5.745 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 13.201 8.111 12.805 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 -11.618 -9.200 12.304 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 5.873 5.380 -3.900 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 2.351 -4.445 -3.775 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 -10.991 8.071 -5.509 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 -5.495 -4.131 -2.630 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 -14.275 -3.146 11.497 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 0.174 -19.881 -2.491 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 4.052 -4.141 -6.794 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 0.641 0.552 -8.414 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 -1.679 -0.870 -18.390 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 5.907 -0.735 -5.075 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 -15.506 -0.147 31.089 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 -1.016 1.249 8.337 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 -3.321 0.856 -5.445 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 21.565 7.235 9.187 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 18.995 -12.552 6.707 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 5.805 7.455 -0.843 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 2.746 0.501 -1.860 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 4.705 6.519 -3.459 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 3.916 -3.657 -5.855 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 -14.877 -12.400 8.335 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 10.358 0.684 -5.484 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 0.644 -8.849 -6.257 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 -20.107 -29.804 -13.475 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 -1.641 -0.682 -22.848 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 0.062 5.684 1.023 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 -10.807 -3.124 2.805 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 11.416 -5.308 3.337 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 5.820 -2.952 -4.386 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 13.549 -7.427 -6.297 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 1.879 7.881 -8.896 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 5.395 0.753 1.026 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 2.219 2.783 1.212 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 17.153 2.477 4.430 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 1.369 -0.644 -10.662 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 1.159 -6.148 -14.413 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 8.881 4.965 -13.831 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 1.559 -7.129 -6.146 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 20.640 -14.734 -4.324 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 0.266 5.281 8.985 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 2.848 -2.571 0.529 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 -3.385 2.382 -25.371 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 29.592 -1.340 0.876 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 -4.086 0.344 0.617 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 16.237 4.275 12.961 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 -16.101 13.749 10.232 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 -2.598 2.939 -3.754 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 -12.503 -5.298 -17.549 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 1.185 3.016 5.798 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 -3.878 3.629 4.499 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 9.517 27.105 -16.859 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 20.653 9.351 -26.738 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 2.573 -3.688 4.133 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 -3.023 -5.203 8.146 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 27.899 -7.329 -3.128 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 -2.909 -4.149 1.074 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 1.216 -9.173 9.034 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 -18.794 4.743 9.436 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 3.568 1.667 -3.920 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 10.062 -9.343 -8.503 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 0.410 7.219 -6.147 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 0.599 -0.053 0.886 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 -3.714 -4.197 5.312 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 16.229 7.951 -12.656 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 4.526 0.971 -1.911 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 5.931 7.718 -2.579 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 1.466 11.211 -2.423 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 -1.915 5.614 3.971 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 -7.046 5.191 -6.119 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 -13.821 -6.820 -6.469 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 4.730 1.846 3.784 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 23.524 -13.284 34.298 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 9.576 -3.145 23.568 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 3.636 0.838 -2.309 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 1.655 5.089 -8.419 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 18.168 -3.582 6.663 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 -5.302 -2.969 9.128 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 -9.553 6.978 8.419 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 -1.819 -5.655 2.339 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 4.260 2.324 -1.442 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 2.714 -10.551 0.568 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 -9.142 6.243 3.701 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 -1.721 -4.380 -2.370 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 -10.575 -5.762 7.433 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 -14.527 1.554 9.452 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 3.976 3.372 -8.717 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 -3.893 -23.026 0.940 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 27.320 -16.653 -10.054 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 3.696 5.326 -2.005 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 3.270 4.435 -3.038 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 -15.880 12.753 4.244 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 4.331 -3.054 0.297 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 14.675 -4.204 -1.954 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 9.561 -9.919 -2.257 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 -4.875 6.286 -0.940 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 -5.895 9.923 -18.229 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 -23.907 4.577 11.738 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 7.821 6.884 0.989 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 -2.538 -8.812 10.815 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 18.366 24.348 -8.808 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 -9.118 1.237 -2.386 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 -6.710 25.228 10.361 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 5.312 -21.267 15.983 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 -3.178 -1.925 3.312 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 -18.209 1.882 6.358 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 -10.128 -20.246 22.050 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 0.032 2.771 -5.145 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 -9.209 -1.192 0.377 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 0.349 4.099 -9.027 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 1.397 -1.432 -0.355 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 16.813 -5.970 5.910 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 7.392 2.699 -20.689 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 -7.666 5.793 -4.565 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 3.678 14.302 11.241 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 5.963 -9.354 -4.576 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 1.780 -2.375 5.386 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 1.199 -5.512 0.401 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 0.237 -3.162 -5.529 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 0.048 -2.707 2.821 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 -0.549 2.001 9.300 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 8.617 -4.523 0.817 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 1.316 0.076 3.435 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -4.298 10.018 7.263 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 -0.950 -7.733 13.584 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 3.004 -5.250 -5.815 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 10.301 1.209 4.667 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 -32.238 11.989 1.463 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 4.044 0.850 -4.419 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 -13.322 -17.207 -0.046 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 -11.784 38.786 -11.615 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 2.303 -3.359 6.378 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 5.019 -18.073 0.140 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 -12.301 -0.609 0.537 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 -5.410 -6.070 1.616 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 5.553 -4.435 1.101 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 18.888 6.925 -11.816 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 -5.495 0.905 5.977 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 -3.691 1.913 15.569 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 -6.562 -3.467 7.579 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 -4.807 -5.037 2.139 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 -22.685 -9.354 -16.352 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 -3.075 -1.335 -5.298 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 -4.706 2.894 -2.104 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 7.601 -10.739 -7.841 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 -17.603 11.860 16.342 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 -0.414 -6.903 -7.697 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 3.063 -1.068 -28.225 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 -10.096 -12.904 22.921 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 4.309 -7.867 -1.383 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 -6.008 -20.421 -11.496 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 4.850 -26.005 -20.477 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 8.638 -1.150 4.204 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 5.953 24.003 6.001 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 33.280 -5.134 1.196 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 -1.082 1.104 -0.044 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 1.959 -11.679 -13.439 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 -9.261 0.332 5.600 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 -3.111 7.607 3.970 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 9.775 9.678 -8.400 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 2.454 -6.058 -9.271 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 0.274 -3.912 2.484 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 -1.504 -7.428 4.128 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 -0.192 7.551 -1.310 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 -4.493 -1.824 2.018 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 10.050 2.926 8.564 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 -8.716 1.555 -20.017 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 4.742 3.051 -4.062 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 -22.141 3.760 4.581 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 2.572 6.522 3.015 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 -0.591 -1.443 4.171 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 3.097 10.124 -10.080 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 3.646 -11.406 12.618 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 -11.878 4.023 1.778 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 -6.660 12.589 12.727 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 -17.182 -3.832 -2.018 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 7.377 -4.552 -5.342 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 19.956 -7.554 -5.622 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 14.727 3.866 -0.631 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 -3.903 -4.166 1.704 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 -13.098 1.109 4.649 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 16.408 -17.022 -5.273 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 2.701 -5.322 2.692 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 5.658 -4.651 7.999 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 0.744 1.131 3.986 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 -0.532 2.985 -4.813 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 -4.788 0.270 -3.747 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 14.233 -1.695 -20.736 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 -4.337 -2.652 -4.719 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 -6.022 -4.941 -1.116 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 -5.740 -4.229 -7.751 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 0.805 7.393 -3.142 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 -6.672 12.674 3.545 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 -7.980 -34.483 3.059 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 -3.190 1.415 -4.280 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 -11.737 13.247 6.696 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 -28.734 -0.372 -21.785 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 3.394 -5.969 3.722 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 -13.219 -10.490 -8.288 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 4.139 11.095 4.666 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 -0.688 -3.025 -0.596 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 1.388 -2.759 2.508 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 -19.782 4.225 -11.671 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 5.149 -0.678 -3.651 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 24.179 6.612 3.552 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 -18.100 -7.296 -16.912 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 -1.187 -0.952 -3.407 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 5.798 -6.887 0.072 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 2.908 -0.695 -39.054 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 -3.304 7.459 -3.078 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 11.503 -10.870 20.146 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 -8.209 17.278 -17.196 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 -1.820 3.098 3.894 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 -5.889 -13.592 -2.271 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 -3.537 -5.313 1.790 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 1.432 3.424 0.356 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 -4.930 9.143 -9.080 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 7.805 -15.341 0.308 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 1.137 0.523 -3.686 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 -6.055 -4.484 22.286 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 -12.996 -9.434 -2.865 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 -9.022 -1.340 -3.588 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 -22.974 20.864 0.362 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 2.334 11.126 -9.734 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 1.079 -6.544 -3.403 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 14.461 23.034 -14.137 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 -2.505 1.060 -15.368 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 4.248 -3.868 2.567 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 4.850 0.780 2.812 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 3.600 2.710 -0.533 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 -0.328 12.185 -5.824 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 3.876 13.658 -13.489 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 -12.474 -4.882 -6.073 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 2.668 7.399 1.914 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 7.278 32.299 17.162 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 0.744 -2.305 20.687 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 6.939 0.338 0.752 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 -13.489 5.819 17.742 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 22.216 10.991 -4.779 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 3.694 1.013 5.842 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 -11.330 14.356 17.609 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 -1.382 11.607 10.553 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 0.816 -3.513 1.109 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 8.218 -26.459 -3.753 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 -6.718 -5.327 -3.154 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 5.614 5.870 0.463 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 8.110 -5.230 -3.818 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 1.531 11.095 -0.266 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 -5.771 -8.485 -2.268 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 14.486 -14.821 5.223 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 -2.686 -24.779 -14.790 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 3.863 0.313 -4.828 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 2.418 -12.953 8.596 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 -0.748 0.137 7.472 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 2.712 -4.407 1.888 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 -1.874 4.390 14.181 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 17.964 1.823 -1.631 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 4.206 2.790 -0.052 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 4.636 -2.921 -3.350 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 6.517 -0.895 5.680 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 -5.721 1.965 3.918 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 5.293 7.000 16.662 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 -12.109 -12.207 8.889 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 -2.602 -0.141 -6.768 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 -16.157 6.283 11.788 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 7.853 -25.316 -9.694 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 1.321 -7.643 0.659 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 -9.272 -16.084 -3.548 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 0.757 -7.847 -2.257 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 -1.059 10.089 6.390 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -7.563 -6.029 6.703 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 0.677 7.648 5.305 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 4.393 -1.324 -5.940 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 0.946 -0.770 -3.614 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 3.037 -3.314 -9.949 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 -0.206 -5.521 4.630 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 -4.535 -4.988 13.326 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 -2.113 8.332 -3.941 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 -1.975 1.691 -6.468 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 -1.780 17.993 -6.346 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 0.258 -4.876 -6.273 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 7.875 -6.723 1.846 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 2.283 11.974 15.825 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 23.929 12.801 -12.688 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 1.229 -1.913 -3.956 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 -0.829 -3.876 -2.103 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 7.403 1.669 -5.189 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 -1.116 -3.840 -0.728 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 -8.466 -12.574 -4.451 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 7.481 -14.873 -8.467 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 0.829 -8.383 -2.465 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 18.994 -22.784 -32.484 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 -10.063 -32.593 0.020 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 6.869 -6.649 0.106 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 -9.510 -22.445 5.384 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 2.477 17.397 20.828 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 -0.521 4.510 -2.663 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 -11.270 5.069 3.438 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 -10.123 2.285 -0.092 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 -0.274 0.748 -3.499 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 3.482 -8.688 -20.635 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 -12.518 4.466 14.122 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 -2.342 4.076 -7.640 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 -1.644 -8.337 42.167 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 8.947 -1.482 12.091 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 -0.692 4.462 -0.757 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 -11.016 0.093 -24.146 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 -2.114 2.693 8.764 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 2.494 -5.005 1.481 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 -7.349 -13.208 3.295 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 1.850 -5.656 1.170 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 -1.780 4.911 -0.330 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 -8.462 -6.526 -4.218 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 -7.439 -0.277 -4.130 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 -0.395 -3.186 2.561 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 -9.090 -17.537 -8.576 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 -10.274 13.236 -1.260 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 4.518 2.703 -0.641 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 -8.368 -12.104 -4.570 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 -14.963 -9.806 -8.311 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 2.401 -5.250 3.990 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 -3.876 -2.102 0.352 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 -6.977 -12.078 -10.994 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 7.897 -7.974 4.474 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 -3.498 -12.786 -11.099 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 -4.876 -10.401 12.949 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 0.836 -3.169 -1.798 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 0.386 -10.484 -4.465 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 10.276 15.282 15.838 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 -1.318 -4.194 0.275 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 0.919 -5.606 -3.937 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 -6.631 -5.004 -3.739 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 1.006 2.028 -5.408 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 -15.995 -13.951 -4.459 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 -9.554 21.749 0.897 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 -1.889 7.225 8.784 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 2.624 -10.358 -9.766 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 6.100 13.641 22.717 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 -4.240 -4.411 3.878 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 -12.908 6.748 -1.715 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 0.878 -10.185 2.060 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 -2.166 -0.767 1.270 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 -24.811 6.460 -12.340 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 -0.135 2.443 2.440 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 -1.474 5.316 8.578 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 5.911 21.972 -13.373 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 -1.982 12.005 -12.868 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 1.258 -8.454 3.115 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 -4.475 -31.457 -0.139 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 -1.850 -22.494 1.338 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 1.720 -0.571 -4.249 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 -10.251 -11.810 -9.548 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 -1.889 1.641 7.963 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 0.646 -4.665 -2.635 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 16.867 -8.153 18.395 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 -11.648 -12.480 -1.995 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 -12.048 -1.804 7.417 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 -9.473 5.021 -10.259 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 -9.304 12.317 -23.730 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 -0.759 0.529 0.562 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 -19.930 17.417 5.859 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 -16.368 3.731 0.885 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 9.936 -5.772 -2.775 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 10.716 -4.886 11.736 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 14.201 18.606 -6.694 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 1.466 -2.484 0.907 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 4.489 -3.967 -1.392 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 -20.929 5.704 -19.511 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 -0.624 0.837 5.007 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 -4.817 -8.461 4.958 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 9.473 0.896 -2.795 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 5.442 7.423 -0.712 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 2.606 -1.495 0.654 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 -4.813 7.702 0.185 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 -8.715 2.656 0.477 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 7.651 1.597 11.151 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 -2.613 -10.245 11.304 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 3.013 1.178 1.840 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 1.648 -11.862 -3.796 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 -0.012 8.120 -0.314 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 0.541 2.082 -5.650 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 -7.550 -0.414 -3.815 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 -0.080 -0.814 -0.618 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 4.701 -1.512 -1.796 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 2.951 -11.101 3.728 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 4.167 7.067 -3.234 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 -2.621 0.421 2.579 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 9.677 1.498 26.434 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -37.345 -15.441 -4.938 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 -3.461 2.008 -1.443 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 -14.935 4.450 -1.095 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 -5.994 -10.965 -1.279 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 -0.079 1.719 -1.867 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 -16.735 8.638 0.501 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 -7.338 0.507 7.153 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 -2.608 -1.834 8.159 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 4.493 3.297 7.409 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 6.810 -11.627 0.173 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 -0.466 -0.986 -5.517 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 -0.260 0.582 -2.197 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 0.079 -2.003 -1.116 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 -0.885 1.426 -1.676 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 -6.510 4.175 -25.890 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 -16.545 -3.792 3.872 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 -6.542 2.103 -2.333 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 0.001 -4.629 -10.971 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 -9.609 -0.838 -17.954 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 0.348 -3.279 -2.945 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 10.409 7.202 3.169 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 -4.398 -2.280 2.678 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 -5.250 -4.244 -1.681 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 0.338 -9.037 -7.937 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 11.811 -37.341 23.954 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 -1.661 6.516 0.389 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 2.696 6.949 -1.123 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 -0.402 6.419 -1.864 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 2.558 -5.134 1.474 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 9.417 -2.130 0.085 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 12.935 1.802 -1.800 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 2.099 0.226 -3.437 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 6.967 0.124 -5.542 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 -6.428 -16.158 18.688 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 -8.652 2.451 -5.102 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 5.130 -8.840 15.951 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 -17.847 -12.500 13.399 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 1.073 -1.723 -9.077 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 2.619 -3.094 12.132 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 4.821 6.947 -6.379 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 -1.223 1.548 -1.602 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 5.094 13.359 2.707 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 -0.821 3.154 -2.274 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 1.850 -1.208 2.365 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 -10.446 7.613 3.846 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 11.560 -10.884 1.745 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 -4.577 2.948 0.171 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 8.874 -5.754 -23.782 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 3.997 0.967 -9.535 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 5.692 -5.822 7.870 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 4.015 6.404 -16.099 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 3.641 7.399 13.189 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 -2.265 -8.205 -2.775 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 -1.874 14.837 -9.856 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 -11.166 -15.003 3.026 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 1.095 -3.034 0.209 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 6.700 9.351 0.146 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 -6.571 -0.682 -12.811 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 2.609 -6.678 -4.719 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 -6.657 -4.127 8.733 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 5.349 -6.942 -10.785 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 -0.565 3.750 0.828 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 -7.371 -11.820 4.748 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 -17.378 -28.509 -4.473 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 -4.729 5.194 -0.200 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 -22.457 -5.159 -4.306 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 -12.215 1.520 -2.944 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 3.518 -2.007 -4.111 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 -6.272 21.467 17.312 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 -25.105 47.127 16.109 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 9.810 -9.840 -0.694 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 24.382 4.907 -13.041 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 -4.590 -9.716 -7.589 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 -3.061 -2.937 1.962 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 -37.554 7.522 29.841 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 9.043 13.253 -7.649 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 3.331 -2.677 -4.516 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 -7.169 -1.306 -14.625 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 10.116 -16.584 -7.663 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 -7.154 5.577 -0.135 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 -9.744 5.440 -3.036 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 1.182 1.126 -19.059 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 7.506 -1.637 2.877 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 1.941 3.328 17.989 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 2.974 -10.514 12.372 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 -1.301 0.282 -3.059 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 1.994 -3.778 3.083 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 -19.599 23.819 -16.406 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 2.089 -5.084 -2.380 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 -3.886 -4.739 -0.787 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 1.880 8.071 -7.452 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 3.689 -3.049 4.203 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 -2.755 -3.280 16.263 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 -10.452 -2.975 -23.881 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 -4.589 -0.131 4.652 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 -5.363 8.466 -6.127 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 -15.245 -8.248 -7.562 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 4.058 -1.521 1.294 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 -8.482 5.785 3.945 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 -0.961 3.029 -14.439 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 -7.455 -4.158 1.601 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 4.250 -7.757 3.278 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 -8.778 -5.930 5.167 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 -3.565 1.771 5.171 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 6.083 -8.824 13.548 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 -3.078 5.501 0.451 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 4.955 -1.257 2.022 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 3.097 3.694 6.453 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 11.456 -6.113 3.768 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 3.718 1.175 4.126 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 4.245 0.752 -0.445 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 -7.210 8.430 13.693 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 1.163 0.206 3.253 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 3.659 -11.420 -6.845 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 -19.654 6.782 -17.372 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 3.208 1.725 0.638 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 6.084 -1.824 -19.681 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 -6.460 -24.906 -26.569 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 -0.601 -3.790 -0.543 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 11.675 -22.694 14.954 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 -15.235 1.654 13.434 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 6.746 4.255 0.474 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 -29.471 -11.248 6.932 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 16.493 7.870 -0.652 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 -1.792 -2.493 -1.106 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 1.268 9.210 3.692 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 -2.722 16.970 1.708 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 -2.154 -5.217 -6.992 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 -1.019 -4.692 -5.808 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 -2.876 -3.984 -6.522 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 2.803 -10.265 -2.449 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 -9.661 8.387 5.582 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 6.649 -20.798 0.416 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 3.642 3.443 8.694 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 -17.491 1.613 -4.616 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 -5.265 -10.813 16.692 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 -0.425 4.203 -4.309 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 -3.410 2.448 -3.996 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 -17.101 -5.070 0.747 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 -10.228 0.481 -2.202 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 19.378 -7.938 -11.102 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 -6.208 -11.018 18.144 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 -0.421 4.177 -6.975 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 14.808 3.630 -15.804 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 -2.024 -6.965 0.704 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 -2.745 5.812 -1.025 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 16.468 30.851 9.583 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 -2.479 9.091 10.851 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 -1.679 -6.769 -2.078 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 -1.139 -6.190 0.695 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 -1.223 -0.723 13.324 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 6.694 -0.527 -2.999 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 1.874 2.063 -9.330 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 5.647 -1.705 0.311 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 0.439 -3.314 5.423 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 4.512 -8.839 4.091 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 10.552 -13.968 4.337 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 -0.333 0.785 1.450 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 -1.895 -3.869 -7.293 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 0.683 -14.849 -17.214 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 -1.221 -1.516 1.836 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 -2.813 4.361 7.740 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 -32.171 -16.114 -7.513 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 -2.173 -2.499 1.253 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 2.688 -12.844 19.680 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 -2.190 10.953 0.918 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 1.371 -2.876 -1.657 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 -14.358 -4.925 9.045 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 6.757 7.474 -19.328 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 3.814 3.012 -3.198 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 4.940 4.807 -3.101 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 -6.148 -15.320 -2.314 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 2.557 3.339 2.164 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 1.404 31.438 30.013 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 1.949 -10.592 5.271 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 -2.830 -0.697 -0.106 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 5.353 -1.400 13.936 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 -14.415 1.778 -26.656 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 2.524 -1.887 1.399 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 17.868 -6.854 5.111 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 11.398 4.064 11.760 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 -3.558 3.235 -9.354 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 -2.664 -10.931 7.811 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 5.406 -17.860 -9.693 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 -1.292 2.528 1.248 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 -14.583 20.708 -9.949 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 -9.508 -4.279 -6.226 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 4.689 1.701 5.600 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 2.078 -4.887 9.160 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 4.131 -3.673 -10.828 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 0.169 -2.046 11.001 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 10.814 -6.709 27.077 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 8.322 36.400 -18.055 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 -2.756 4.245 -0.392 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 8.417 2.420 -2.925 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 10.083 -0.774 9.028 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 1.880 -4.969 -2.550 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 -4.150 2.298 2.954 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 0.965 14.217 -3.111 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 -0.374 2.096 -2.307 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 6.575 -4.686 -21.970 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 12.876 21.114 4.817 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 1.093 4.534 6.035 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 -7.029 7.243 -4.075 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 -17.234 8.928 -16.416 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 6.608 -2.420 0.652 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 -17.809 -9.918 11.882 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 -2.888 -16.227 -6.550 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 -0.017 -0.724 2.129 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 -3.469 -4.762 -9.518 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 -14.442 0.020 11.028 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 0.818 -4.124 2.596 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 -3.992 -2.758 1.585 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 33.614 -3.147 -6.541 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 -3.762 -6.284 2.552 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 -1.385 12.700 10.866 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 3.443 9.048 -7.495 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 -0.108 0.572 7.950 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 5.281 2.232 10.208 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 8.920 -24.598 38.701 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 -0.553 3.395 3.720 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 -1.031 12.535 28.716 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 3.236 -8.311 -19.487 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 -0.221 6.526 2.659 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 -21.472 -13.293 3.002 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 -17.034 -2.574 9.144 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 -1.996 -4.810 2.609 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 17.010 3.041 -6.076 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 -2.955 -17.853 -11.524 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 -1.667 5.055 -6.804 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 -21.958 20.433 -11.219 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 -0.256 -11.282 -14.553 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 4.712 2.656 1.957 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 -5.951 -47.253 17.084 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 1.696 -0.892 -4.642 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 5.166 -1.687 2.702 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 -7.479 -6.348 -4.576 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 10.578 -0.583 4.637 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 -9.111 4.386 1.066 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 -5.006 -4.307 6.478 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 -15.127 9.663 26.562 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 -1.352 -2.965 -1.598 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 -1.053 -7.846 7.568 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 -3.328 -0.934 1.520 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 1.358 3.396 8.147 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 3.650 -19.486 8.118 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 -0.352 4.895 5.819 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 0.013 -2.399 0.664 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 -2.243 -0.378 4.615 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 8.477 -9.226 2.242 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 -2.602 -3.170 -0.402 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 -13.135 2.713 9.390 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 -16.086 9.352 16.571 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 -2.251 2.491 -6.029 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 -1.882 7.106 -4.837 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 -0.741 -0.135 -0.742 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 1.953 1.980 7.525 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 17.098 -2.244 2.559 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 5.707 20.238 8.377 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 0.858 -3.543 3.341 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 -4.859 0.865 15.718 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 14.537 -5.915 5.524 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 2.967 2.883 1.849 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 7.945 9.115 1.824 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 -7.798 -8.951 -5.003 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 0.613 0.843 0.782 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 9.971 -29.708 -13.549 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 5.550 -18.207 -7.848 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 7.898 -2.069 -6.078 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 -13.553 -5.434 -0.762 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 15.957 4.148 -2.009 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 -2.255 0.693 -6.521 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 -9.485 5.894 2.558 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 -2.689 -9.656 -7.626 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 -8.898 -3.438 0.542 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 0.017 5.353 9.903 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 -12.572 1.887 -6.432 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 2.136 -0.632 -0.949 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 5.982 6.925 -0.860 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 12.180 25.736 -5.343 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 1.851 -2.267 -1.763 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 2.966 -1.713 36.469 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 15.327 24.228 -16.859 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 -1.807 4.436 -3.916 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 -4.749 -0.403 -9.906 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 -0.513 14.390 -4.454 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 -6.072 -6.156 -3.187 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 -3.990 5.644 7.427 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 -7.552 -7.206 -1.748 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 -7.086 1.961 13.598 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 2.374 -17.100 19.439 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 -12.838 -2.216 5.276 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 0.818 -4.044 1.817 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 0.609 4.774 -13.831 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 -12.614 -5.742 -14.792 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 -2.844 -3.592 -3.039 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 -26.611 -9.228 44.578 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 8.173 -6.508 0.444 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 -4.749 -8.555 -9.442 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 11.746 -10.980 4.054 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 16.119 0.368 17.691 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 -6.674 5.542 -1.776 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 5.419 3.966 -2.680 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 17.198 6.791 -3.264 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 -0.662 1.800 -1.261 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 -3.949 -10.896 4.153 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 15.381 -0.048 0.141 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 4.003 1.490 4.353 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 8.021 -0.230 5.103 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 -6.463 17.948 -1.226 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 1.838 -4.855 7.337 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 0.092 -7.428 6.841 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 -8.543 -19.909 7.955 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 -1.012 3.435 0.621 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 0.834 -4.183 9.764 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 10.440 17.213 4.784 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 -2.232 -0.226 8.150 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 -20.716 -12.847 2.980 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 5.893 -3.099 14.094 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 4.613 1.695 0.473 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 2.170 1.206 -6.433 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 0.084 -16.437 4.174 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 3.450 -1.978 7.435 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 3.910 5.425 12.998 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 1.942 -16.347 -13.259 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 -2.113 0.656 -2.506 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 -12.888 15.120 8.171 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 -24.003 -5.294 -19.015 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 3.361 -7.179 1.530 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 -3.125 -20.096 -4.342 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 -7.293 7.101 -9.373 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 -2.174 1.550 7.061 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 -10.311 11.639 9.174 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 -15.704 17.377 6.392 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 3.899 7.702 -0.119 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 16.418 -3.614 -5.682 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 -9.094 -4.289 8.578 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 2.382 -4.948 -5.085 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 -15.954 -30.171 -5.691 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 -3.951 2.888 -7.532 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 1.255 2.563 5.307 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 16.132 -2.516 -10.294 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 7.994 -16.852 -16.496 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 -3.467 4.897 0.004 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 -8.090 7.372 -10.215 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 -7.316 2.627 -8.853 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 1.043 2.244 -4.629 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 2.551 -3.999 -6.859 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 0.286 33.102 15.706 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 -2.246 4.598 4.453 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 1.478 -3.463 5.969 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 -7.925 1.840 -2.909 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 4.126 -3.989 -4.711 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 -3.516 -7.178 -1.513 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 4.183 -10.924 -12.620 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 -0.026 -0.521 -5.774 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 1.026 -8.567 -12.623 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 -1.388 -5.995 -12.262 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 -2.331 3.187 3.521 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 -19.209 -13.219 -16.597 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 17.744 2.944 -14.435 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 1.373 4.042 -3.657 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 -4.808 -3.570 18.287 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 20.746 -20.423 -6.021 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 -7.788 -1.211 -4.644 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 -3.226 3.424 0.135 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 -1.532 5.542 1.675 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 -1.153 -3.197 -5.472 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 9.074 -27.054 -21.759 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 -15.034 -15.557 7.325 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 2.240 1.688 2.644 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 -1.172 -5.602 12.428 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 11.561 -4.055 -3.239 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 2.576 -7.313 5.424 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 -4.255 2.119 -4.215 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 -2.086 -22.410 0.925 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 -2.734 -2.031 -1.732 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 10.817 10.054 -11.564 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 7.847 -8.496 13.954 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 0.047 -6.329 1.219 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 -3.973 -6.286 5.440 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 29.418 1.174 -1.872 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 -0.295 -4.449 3.242 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 0.273 -19.213 -13.580 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 -2.024 -0.780 9.136 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 -1.088 -5.150 -3.054 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 19.199 9.680 -14.325 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 2.255 -17.151 -19.923 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 -1.780 -8.525 -2.725 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 1.632 2.400 5.732 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 9.536 -21.289 -6.629 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 5.810 -0.372 3.851 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 -27.935 29.329 0.389 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 -3.358 5.093 2.958 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 4.194 0.931 -2.496 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 -1.636 -13.147 -7.594 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 7.222 13.004 2.262 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 -1.654 -2.983 -4.854 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 19.289 2.974 -4.481 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 -7.838 -3.414 9.179 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 -4.729 1.142 -0.497 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 -17.675 0.417 8.098 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 -8.005 -6.177 11.046 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 4.247 0.584 -0.886 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 25.197 -1.894 5.504 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 1.859 5.570 -13.892 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 -1.071 -11.313 5.206 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 -26.102 -11.136 -26.636 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 1.833 21.114 22.154 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 1.157 1.360 2.489 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 -0.511 -11.982 28.501 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 3.693 22.545 2.017 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 3.186 -0.149 -1.618 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 -7.280 22.236 0.739 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 7.442 8.954 4.980 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 -2.172 12.319 -7.049 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 -13.347 14.920 3.591 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 -3.494 12.284 -5.966 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 -0.955 0.888 -2.531 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 -6.511 10.363 0.829 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 -2.095 -19.000 -15.144 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 0.761 -2.739 0.219 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -22.506 7.651 2.452 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 -7.293 1.057 -20.778 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 5.715 0.925 1.147 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 -4.290 -15.136 10.600 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 -2.353 15.691 6.094 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 1.159 -5.854 2.386 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 7.384 -7.194 12.918 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 6.835 -9.633 -4.311 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 -4.268 1.107 2.657 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 -13.500 -3.638 -8.980 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 -9.454 -4.884 -8.338 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 6.721 1.907 8.582 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 8.193 8.496 -19.083 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 -15.106 -3.060 12.075 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 -2.572 0.001 0.689 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 -20.982 4.632 -6.304 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 -17.531 15.203 7.380 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 -5.774 0.311 -6.757 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 -0.795 12.946 -3.964 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 3.383 -11.101 22.615 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 -0.861 2.892 -0.302 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 6.852 -2.028 20.529 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 18.666 3.204 20.629 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 -0.421 -5.132 0.694 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 9.034 -3.838 11.242 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 0.697 2.664 -1.225 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 -4.570 4.369 -0.919 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 4.911 10.805 6.695 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 -21.198 -6.915 -14.155 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 -5.410 5.416 0.559 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 3.933 12.388 -0.302 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 -11.031 1.540 1.267 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 4.305 0.367 4.696 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 -2.621 -5.612 -6.489 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 4.247 -8.175 -4.955 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 0.439 0.741 -0.884 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 -14.100 7.975 -3.079 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 -1.049 -1.556 16.516 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 -0.999 9.395 -4.138 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 10.204 17.581 -8.616 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 10.913 -0.286 -13.582 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 2.582 -0.577 6.968 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 1.436 10.356 18.580 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 5.084 -4.581 1.358 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 -8.344 -4.828 -9.805 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 11.501 0.384 -13.447 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 -8.228 -24.320 -3.705 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 -5.056 2.037 -0.459 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 -12.252 7.040 -6.797 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 -9.348 32.615 9.221 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 -5.262 3.028 -1.994 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 -25.767 -12.118 -13.037 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 -11.399 10.448 -9.738 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 -6.174 -3.836 -0.128 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 -6.308 -10.666 1.539 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 -2.469 -12.811 -14.329 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 -2.444 -0.068 0.526 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 15.766 -5.851 23.280 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 -5.902 2.442 -7.831 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 6.700 3.708 -3.679 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 4.113 7.850 3.083 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 -10.725 -8.097 -28.267 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 1.534 -4.671 0.973 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 -1.320 2.051 -0.985 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 -0.706 -5.769 5.545 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 3.809 2.172 1.712 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 -5.391 8.064 16.702 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 7.750 15.659 -8.872 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 1.483 -10.316 4.592 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 0.636 13.113 13.594 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 -9.072 -12.532 4.495 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 -3.579 3.734 -1.084 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 -6.856 0.111 -17.066 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 15.485 21.744 11.443 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 4.147 -4.488 -2.662 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 11.281 -9.287 -0.609 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 8.032 -2.750 -19.107 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 -3.291 -3.326 -0.570 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 -9.266 18.224 9.875 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 -1.720 -13.436 -5.920 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 -2.132 -2.887 2.353 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 -21.429 -17.202 -10.783 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 -9.896 -7.797 21.837 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 -8.620 -7.025 -1.137 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 -5.670 5.142 -3.271 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 -3.575 15.101 2.576 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 2.916 -6.642 1.836 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 -10.975 33.830 1.773 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 8.533 13.054 2.127 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 1.036 2.488 -0.659 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 15.513 -3.081 -9.498 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 -3.384 -4.090 -27.664 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 0.897 -4.677 -3.633 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 -7.122 24.980 -8.902 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 16.408 -31.149 -8.811 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 5.316 -7.133 5.387 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 7.903 -9.495 -5.608 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 2.129 -21.696 1.573 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 0.811 -5.851 3.277 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 10.287 17.275 0.739 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 11.053 5.114 1.443 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 -5.102 5.966 1.525 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 6.658 15.275 0.256 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 -13.855 15.999 -2.743 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 -1.690 1.672 -4.673 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 0.421 0.897 -13.209 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 12.752 -7.565 -5.879 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 3.035 -2.529 -6.425 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 -0.972 4.271 -7.637 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 -4.657 -9.605 -0.670 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 2.062 2.900 -0.389 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 -0.722 -22.760 -16.645 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 12.142 -7.426 15.462 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 0.820 -1.008 0.210 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 8.077 -5.829 -47.779 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 -5.516 0.588 23.018 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 3.481 4.068 -0.282 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 5.559 22.549 -0.752 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 -25.381 -14.072 4.324 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 4.629 -0.253 -7.270 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 -8.181 -8.048 2.333 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 1.155 8.026 26.713 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 -6.800 -0.652 7.495 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 -9.634 -1.573 20.146 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 -11.163 -1.550 23.048 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 -4.500 2.255 -4.198 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 -6.876 6.277 8.197 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 -3.692 -13.537 -20.315 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 -3.688 5.558 3.661 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 8.012 -13.348 -5.185 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 -0.155 -11.432 -2.026 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 -2.257 -1.889 7.899 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 -2.827 -3.357 5.705 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 -4.201 -5.855 2.359 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 2.618 7.889 1.814 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 -12.707 13.496 -18.661 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 11.853 -16.859 -14.385 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 -0.386 4.150 -0.819 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 7.855 8.193 1.766 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 7.290 14.306 6.032 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 -6.310 4.570 2.682 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 -3.287 9.909 -6.721 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 -12.364 -5.260 -0.031 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 -0.919 6.761 -4.951 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 -1.680 -10.870 1.452 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 0.482 8.961 -9.448 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 -2.485 -6.616 -2.845 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 3.246 -0.919 0.740 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 -23.012 -23.455 -5.286 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 -2.816 2.540 -1.249 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 8.233 -3.102 1.074 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 -4.819 1.492 -2.090 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 -3.475 -14.398 -6.966 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 -0.113 -18.754 -1.965 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 -6.958 -9.415 -2.075 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 -2.506 -2.297 0.580 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 -4.901 -0.729 3.303 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 -2.235 -4.819 0.907 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 -0.318 -6.011 6.263 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 12.925 -21.219 3.132 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 1.713 1.606 -12.909 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 4.642 6.668 6.977 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 0.790 1.435 7.242 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 15.568 10.734 4.760 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 2.034 -2.532 6.608 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 6.707 -3.262 -5.509 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 -4.718 0.432 -0.173 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 3.505 -0.271 -0.562 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 -15.108 6.446 -6.198 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 -5.051 1.529 33.097 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 -3.012 0.474 4.834 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 16.079 4.216 2.365 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 -5.198 1.793 26.934 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 1.164 -1.665 -3.531 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 15.873 13.283 21.078 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 -2.965 -8.357 9.160 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 -0.578 -2.271 3.381 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 9.368 -4.168 8.608 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 10.076 -19.342 12.668 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 6.551 -6.059 -7.843 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 -21.421 -9.937 -2.868 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 -4.317 -7.152 -5.998 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 2.297 -1.513 -3.082 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 -2.023 -3.852 -0.321 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 1.001 3.042 -2.322 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 -1.929 -6.445 -0.314 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 -13.278 12.105 13.853 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 4.263 -11.882 -26.834 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 4.475 -5.550 2.494 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 3.648 9.466 2.059 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 5.840 10.401 3.264 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 -2.157 -2.789 0.478 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 -16.699 -1.654 6.273 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 4.292 -21.010 -20.195 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 0.852 -0.566 3.673 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 -20.099 19.480 2.149 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 -11.954 -17.429 19.855 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 -6.865 3.032 2.451 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 4.994 3.614 9.072 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 -44.672 9.203 8.102 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 -0.482 3.125 -5.031 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 -19.538 2.538 -13.671 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 19.849 2.591 5.669 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 4.091 -6.866 -5.421 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 -21.789 10.727 0.773 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 3.092 -5.017 -4.144 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 -2.779 -0.521 0.218 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 15.739 20.111 22.120 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 3.594 5.354 5.909 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 -3.095 3.184 -2.728 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 -15.792 -8.876 -2.130 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 9.201 2.752 -19.481 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 0.292 4.830 -0.312 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 6.135 22.538 10.924 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 1.411 12.046 2.759 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 4.461 9.923 -1.089 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 -0.046 4.202 -11.284 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 -17.296 -12.301 -45.266 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 -3.274 5.279 3.878 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 -5.716 0.301 2.624 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 -16.350 10.640 10.252 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 -4.984 -2.645 3.279 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 -13.494 3.841 -4.303 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 -8.819 1.789 19.589 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 2.235 8.488 5.229 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 -31.752 10.231 14.897 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 21.555 3.027 10.130 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 -0.857 -4.283 -0.734 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 -5.735 2.508 -7.759 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 3.778 5.085 -4.236 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 0.685 -6.017 -1.956 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 25.336 -19.577 13.739 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 -6.676 -2.395 22.541 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 4.086 1.175 4.824 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 -17.516 8.146 -3.634 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 0.510 -18.999 -4.117 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 -1.372 3.042 2.607 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 -7.057 -0.078 6.821 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 13.635 7.613 17.285 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 -8.228 -0.712 0.643 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 -8.419 13.991 -2.064 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 -24.626 -21.628 2.385 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 -3.643 5.932 -0.161 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 -4.806 5.748 -8.768 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 -0.457 0.073 -0.717 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 2.009 2.206 -4.481 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 8.211 -7.330 3.396 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 -17.833 3.252 -0.925 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 -2.702 -1.697 -2.410 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 -16.616 -2.441 -5.743 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 19.771 14.744 -0.993 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 4.602 2.838 -7.675 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 -2.036 -11.685 15.624 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 -11.755 5.316 -11.545 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 -0.471 3.318 1.630 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 10.597 -23.994 11.337 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 -4.350 13.051 -18.040 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 6.159 -0.317 0.287 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 -11.002 2.874 -3.632 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 -3.065 -2.865 16.825 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 -5.433 -0.063 -2.247 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 -8.593 -16.681 34.204 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 -2.604 -0.581 -4.000 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 -5.632 -3.105 10.105 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 -9.330 8.192 12.975 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 -14.482 -11.754 -16.394 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 -10.788 8.779 -1.139 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 -19.344 11.978 8.486 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 -11.648 3.197 -3.977 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 0.774 1.147 4.386 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 17.422 9.417 -8.814 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 -2.371 -20.581 16.872 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 1.475 0.665 0.950 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 18.316 51.464 -2.263 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 8.480 19.109 -2.132 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 6.260 0.157 0.210 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 7.358 -4.735 3.639 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 0.436 1.412 -0.017 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 -2.284 5.517 4.175 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 1.171 8.658 10.326 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 2.387 6.426 0.136 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 3.644 4.391 2.408 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 -15.446 -4.202 8.263 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 10.725 3.590 -0.357 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 -0.003 7.692 3.534 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 -4.386 11.710 10.799 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 13.439 16.147 9.031 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 -0.093 0.954 -1.257 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 -10.958 -1.477 4.246 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 -7.049 -1.998 4.841 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 -1.485 -5.044 0.305 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 -7.187 9.974 13.048 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 -15.780 -7.318 -20.487 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 4.093 0.160 0.521 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 -18.377 3.101 -9.545 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 -11.435 -11.680 -17.889 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 -3.409 1.519 -0.721 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 24.284 9.266 -14.818 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 1.273 -0.948 3.147 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 5.870 -0.845 2.601 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 1.329 8.704 7.201 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 12.372 3.388 6.145 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 1.794 -2.988 3.556 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 -9.160 16.900 9.972 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 4.464 -13.112 11.077 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 -2.551 -1.177 -7.691 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 20.082 -14.632 -13.462 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 -4.088 5.382 -4.865 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 0.964 -0.829 -9.614 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 -11.510 -8.808 -7.677 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 -13.022 -8.540 -6.410 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 -4.076 2.642 -3.255 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 -0.943 -5.296 -2.012 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 -0.297 0.997 -16.027 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 -5.733 3.449 0.310 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 4.166 10.661 -1.629 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 -14.407 0.801 -11.543 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 8.306 7.346 5.185 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 -14.399 -10.195 -19.787 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 29.978 13.621 -5.394 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 -6.453 5.549 -3.061 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 0.313 -0.608 -8.481 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 -1.776 14.667 1.344 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 -0.575 -2.151 1.681 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 8.876 13.683 -19.230 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 -12.035 -25.816 12.750 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 -3.307 -1.117 -2.098 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 -20.619 13.246 -18.909 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 0.041 3.430 2.071 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 -3.090 -0.720 7.724 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 3.752 5.257 18.558 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 -0.327 6.921 18.934 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 -0.437 4.569 -4.025 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 -14.112 -5.021 -7.320 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 11.126 -3.481 -14.314 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 4.386 3.633 -4.205 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 -4.752 10.239 7.479 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 29.552 -14.509 -9.529 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 -5.988 -2.539 -4.567 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 3.482 5.976 -15.491 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 -13.349 7.032 -1.841 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 -1.178 -2.059 -5.368 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 -2.296 0.021 0.614 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 0.612 -0.335 29.698 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 10.185 0.809 9.384 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 1.355 6.971 16.031 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 -25.106 -8.799 3.838 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 -1.145 -0.257 6.317 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 -14.291 -12.633 4.298 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 3.079 -24.169 14.064 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 2.333 -4.814 -2.966 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 -10.172 1.206 -16.699 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 27.620 -22.298 -1.748 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 -2.362 1.753 -6.102 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 2.722 5.360 38.530 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 9.166 10.520 -8.250 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 1.024 -1.680 2.193 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 10.669 -2.898 -14.917 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 -13.743 -11.883 9.417 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 6.020 -4.787 -2.681 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 9.430 -1.247 -17.726 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 6.378 -1.129 23.364 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 1.872 2.367 4.377 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 -19.351 -6.839 1.318 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 0.362 9.493 -0.477 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 -1.584 -6.343 3.833 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 12.797 -10.084 11.531 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 5.518 7.625 -23.100 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 2.053 -1.664 -0.778 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 12.205 0.856 -5.778 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 -0.111 5.787 -2.806 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 9.203 -8.237 4.302 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 5.852 -7.262 9.684 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 10.293 -24.383 -9.758 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 2.103 -0.053 -0.525 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 -3.074 -6.874 -4.922 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 2.758 7.551 0.221 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 3.051 -0.324 -3.626 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 13.851 -6.229 -8.828 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 16.166 25.491 2.982 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 6.867 4.525 3.766 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 10.204 -2.119 11.900 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 14.151 0.198 6.308 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 2.315 -3.214 2.153 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 25.101 -9.938 -9.622 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 -5.098 1.654 10.281 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 -1.812 5.010 -9.384 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 14.959 2.932 16.790 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 2.285 2.081 -6.553 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 -4.489 -1.410 -1.155 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 11.702 5.363 28.388 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 -19.990 17.530 3.197 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 2.304 -4.756 3.176 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 3.081 26.094 -13.419 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 -1.624 9.613 16.928 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 7.324 -0.127 -2.278 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 9.258 10.269 -22.473 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 9.127 8.921 -19.808 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 -0.235 0.237 -9.707 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 -2.136 -11.408 -0.999 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 -0.919 5.120 -1.654 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 -1.697 0.377 -1.909 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 -23.131 0.517 0.196 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 -6.527 11.096 -11.621 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 4.938 -0.021 3.730 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 -3.899 4.864 1.317 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 10.766 0.795 -7.680 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 -3.356 -2.422 0.524 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 0.430 -7.781 14.313 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 3.044 -10.410 19.479 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 0.960 -0.834 -3.646 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 3.922 7.156 35.066 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 -5.289 -26.106 -4.983 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 -2.697 -2.291 -6.076 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 -6.323 11.311 -29.132 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 -4.133 4.789 -4.460 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 0.125 -3.585 -2.188 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 9.378 3.408 8.952 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 3.608 9.399 -14.386 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 7.128 -1.342 2.406 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 3.621 -6.533 -2.147 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 15.968 0.022 -3.872 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 5.829 -1.913 1.312 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 9.244 7.618 22.718 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 2.928 -4.789 -7.646 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 -0.511 10.177 -0.058 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 -6.725 5.659 -0.667 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 -3.089 16.794 -2.290 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 -0.596 9.043 -6.361 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 18.611 8.169 -8.225 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 0.489 31.886 -3.696 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 5.121 -0.276 3.084 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 -3.671 2.230 -6.010 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 -13.478 2.077 16.540 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 2.641 -3.460 -4.840 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 -5.019 -21.472 -29.469 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 6.457 3.854 -3.943 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 -2.680 1.615 -4.544 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 -3.985 -11.587 0.815 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 11.501 -18.230 9.945 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 -5.868 -3.208 -3.957 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 -12.530 -6.494 9.731 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 -18.238 -9.686 21.450 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 7.718 -0.187 4.097 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 -4.909 13.979 2.864 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 23.057 -7.912 -14.014 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 5.020 1.158 1.785 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 4.361 -6.192 -12.842 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 -14.828 5.768 3.787 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 -5.866 -4.361 3.374 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 3.691 -8.393 -5.027 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 -3.834 -6.213 -1.374 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 2.324 6.279 6.630 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 -11.237 -2.774 2.298 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 -10.691 -17.198 9.011 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 -1.893 -4.751 -3.734 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 -12.058 -0.869 -4.776 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 1.615 -0.501 2.372 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 -5.174 7.528 5.966 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 1.696 15.446 -8.891 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 4.871 6.727 -31.761 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 -3.352 1.793 -7.076 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 -1.806 -10.177 15.408 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 -14.420 14.200 -6.380 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 -4.920 8.785 -0.547 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 -4.531 4.275 3.619 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 1.225 -1.956 27.825 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 -0.255 5.857 -4.181 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 20.587 12.284 -13.830 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 -9.216 26.000 4.825 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 -2.351 1.966 -9.102 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 -1.445 -5.151 -14.228 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 -0.808 -4.193 -17.152 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 2.646 3.543 -1.630 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 5.715 -4.188 0.087 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 3.007 0.373 3.401 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 7.730 -3.650 1.354 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 -26.831 1.968 13.754 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 7.250 2.731 -0.698 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 3.184 -4.388 -3.371 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 -12.357 -0.091 -7.280 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 7.648 4.909 -6.847 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 -4.805 -0.396 -1.955 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 -3.577 -7.781 0.657 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 -10.044 -0.087 16.439 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 -4.710 2.722 6.047 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 5.522 15.794 -5.738 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 -5.124 -7.318 16.273 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 7.931 -4.321 7.482 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 1.685 10.994 8.857 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 6.495 -16.148 19.460 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 -2.677 -3.149 2.111 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 0.483 6.711 -3.863 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 -6.062 -9.736 5.307 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 -2.745 -2.560 -1.240 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 -14.338 -3.786 -1.759 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 -8.290 21.669 12.066 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 0.232 3.471 -1.340 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 9.725 3.613 8.007 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 6.659 5.234 -9.321 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 2.657 8.481 -3.420 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 3.420 -8.312 3.654 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 1.896 8.054 -4.459 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 1.165 -2.260 0.499 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 18.533 16.176 1.430 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 34.307 23.739 -6.009 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 4.219 1.445 1.348 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 -5.007 -8.128 -1.593 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 -0.801 7.118 -4.724 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 -3.734 5.867 -3.388 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 5.798 0.990 24.117 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 -0.434 -17.306 -5.584 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 4.481 2.062 -6.822 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 -11.862 -5.091 -19.670 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 31.814 0.709 -3.496 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 3.270 -0.292 3.644 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 13.384 4.898 20.430 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 -9.808 5.619 3.606 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 0.079 1.828 -0.157 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 2.349 -9.626 2.340 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 -3.158 3.951 9.511 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 -5.758 5.729 -4.348 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 -4.132 7.435 -19.205 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 24.447 25.707 -4.044 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 -11.208 0.680 1.520 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 -5.086 -6.552 -0.830 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 3.495 3.361 -1.120 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 -3.857 -1.591 4.285 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 -1.240 4.437 9.788 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 -4.758 -1.262 4.751 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 0.778 -6.353 -2.202 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 16.171 8.637 8.760 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 -4.212 13.356 -6.976 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 -4.502 -2.187 -1.440 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 -10.137 -16.829 2.572 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 -13.444 4.605 7.136 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 -1.886 9.049 6.916 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 -1.345 5.980 10.004 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 -8.201 14.055 4.295 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 -8.221 -1.686 -1.154 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 -28.783 -8.145 -12.251 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 6.244 -2.882 13.361 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 3.751 -2.361 2.915 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 22.560 6.358 19.956 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 3.956 12.903 -2.413 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 0.428 -1.801 2.293 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 10.337 3.859 10.462 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 -0.160 -0.374 -6.717 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 -2.199 -1.291 4.618 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 -5.376 -0.703 8.881 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 -1.178 1.972 12.943 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 -8.502 0.755 0.404 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 1.815 5.494 -10.972 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 9.234 6.365 -20.294 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 4.384 -2.638 -4.041 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 -6.337 -24.802 4.521 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 -0.450 -7.792 3.947 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 3.360 -2.001 7.592 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 -9.565 10.121 14.160 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 5.738 -2.559 -1.333 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 3.707 -3.492 2.317 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 -9.639 -19.772 1.626 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 7.926 1.941 2.431 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 -4.082 1.918 -1.148 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 13.910 -17.667 9.986 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 -15.729 -6.334 2.941 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 2.408 1.916 0.024 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 1.812 -11.728 -1.692 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 14.271 -1.777 3.934 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 -11.776 -1.404 1.973 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 -11.200 -4.885 -0.937 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 22.822 -0.765 -12.740 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 -3.138 -2.395 -2.811 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 20.723 25.967 -4.341 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 4.608 7.198 -2.967 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 1.709 1.193 -2.939 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 8.609 -3.832 -8.831 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 19.749 -5.160 7.538 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 -3.018 -4.255 -0.154 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 -0.395 0.130 10.358 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 -6.895 10.497 7.452 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 -4.138 -2.840 -6.289 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 -5.863 -10.909 -2.051 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 4.906 0.102 -6.006 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 1.426 1.732 -3.933 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 -39.040 13.885 3.905 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 9.211 -10.454 8.057 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 -5.284 -3.432 -2.563 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 -8.677 -0.347 -17.039 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 2.360 5.676 4.092 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 -1.881 5.832 -4.918 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 -13.139 10.379 -13.573 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 -8.020 5.888 6.258 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 -7.337 3.177 2.034 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 -1.472 9.986 -23.849 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 -11.646 0.843 -1.297 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 0.186 0.364 4.591 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 -1.392 -1.553 19.627 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 0.420 3.112 -6.748 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 4.712 0.509 -2.832 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 9.553 -0.411 2.790 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 22.479 2.064 -0.920 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 5.639 0.116 3.636 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 8.471 7.615 -0.471 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 -0.869 -1.391 0.450 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 -0.259 -5.184 -2.494 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 -0.433 4.778 31.250 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 -31.270 -0.714 -17.315 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 2.265 1.073 -7.474 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 33.636 -13.803 0.650 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 6.466 28.268 6.159 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 3.186 3.659 3.360 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 1.211 4.322 0.138 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 11.559 -5.368 -9.315 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 -0.662 -1.029 -8.883 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 7.804 -0.754 13.156 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 2.623 -1.592 0.572 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 3.059 0.624 -0.300 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 11.918 16.523 13.483 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 20.313 -5.893 -10.920 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 2.737 -1.215 -4.390 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 -5.184 -1.839 -5.219 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 19.108 -52.690 -5.999 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 -11.041 -2.752 -3.741 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 -18.969 -14.887 -8.169 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 -15.761 -1.131 0.350 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 1.702 1.107 -5.436 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 7.645 -2.647 -5.677 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 -12.571 4.310 -6.981 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 -0.130 3.618 0.466 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 -0.801 11.202 -6.953 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 5.321 20.289 9.680 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 -2.713 -0.115 -2.016 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 -14.592 14.024 -15.364 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 26.100 -14.998 -3.871 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 5.282 3.127 -1.356 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 -6.483 0.891 -15.749 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 18.658 -7.947 0.173 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 -8.722 2.763 -2.101 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 -0.608 3.263 1.061 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 -8.402 0.187 -3.521 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 7.524 0.175 0.498 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 -4.824 2.775 -10.435 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 12.070 -0.800 4.635 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 3.714 1.390 0.703 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 3.675 1.702 1.402 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 3.788 3.745 1.507 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 4.595 3.961 0.926 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 -13.184 4.793 12.592 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 -12.621 -14.081 -17.180 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 -6.758 7.069 2.003 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 2.005 11.801 -0.555 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 -22.765 -3.698 -21.096 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 5.115 5.350 -4.864 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 -8.604 -2.712 -22.160 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 14.237 24.361 -11.700 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 -1.092 -1.354 -0.402 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 1.871 -8.572 3.678 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 -3.943 5.574 -8.212 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 -3.607 -6.726 3.633 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 21.689 7.649 -0.576 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 4.028 -6.495 17.075 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 -8.958 2.407 -0.970 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 -6.682 7.862 12.622 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 -3.202 2.163 2.940 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 -3.858 5.504 4.690 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 -4.151 5.718 6.981 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 14.162 8.482 -6.005 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 3.541 -0.604 -0.086 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 -0.677 -27.354 -0.725 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 -2.095 4.707 1.438 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 4.112 7.831 -0.164 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 -1.510 4.128 7.916 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 -0.771 -15.380 16.344 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 0.066 -0.902 2.198 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 -7.511 -1.504 -10.895 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 3.922 18.902 -0.458 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 3.942 3.349 2.009 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 1.656 4.439 4.498 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 -9.405 3.806 -2.671 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 2.321 2.167 -4.995 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 -13.690 15.297 -11.535 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 2.440 13.599 -12.870 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 1.805 -2.102 5.925 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 -2.343 -7.968 7.718 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 7.842 15.266 30.891 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 -3.455 8.486 -1.731 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 12.854 23.021 10.856 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 1.744 27.810 9.538 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 4.731 0.917 -2.038 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 0.772 7.812 -4.565 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 2.008 7.462 -4.896 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 -0.279 0.727 -3.001 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 -3.611 0.269 -32.771 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 -7.511 -19.566 7.848 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 -6.878 -2.277 4.249 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 6.945 -23.044 8.170 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 -10.475 1.027 -1.782 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 -13.345 -5.068 -6.586 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 -19.120 20.627 -18.702 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 -12.615 0.847 -9.218 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 -3.322 0.023 6.853 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 3.593 16.959 13.986 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 4.028 20.302 9.902 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 1.229 -1.992 3.320 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 -10.543 -2.658 4.511 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 0.653 8.978 7.434 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 -1.189 -0.490 -2.596 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 5.203 10.162 -10.235 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 0.325 1.852 7.231 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 -2.993 2.845 6.062 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 1.410 15.640 4.998 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 -9.916 15.193 9.312 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 -2.138 5.307 6.159 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 -15.388 18.358 16.834 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 17.607 -7.516 -11.436 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 7.199 0.475 0.934 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 0.792 -0.339 -10.477 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 -13.094 3.150 -18.571 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 -2.353 4.681 1.800 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 -0.117 6.784 -1.107 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 2.674 8.561 -2.845 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 4.552 -2.853 -2.539 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 -4.612 -13.443 -4.922 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 1.731 -3.265 -4.519 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 -0.715 0.649 4.156 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 -9.428 -0.273 4.215 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 30.380 2.371 4.503 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 -2.524 -6.118 -2.166 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 6.497 0.360 4.809 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 -14.728 -8.286 -8.434 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 -0.711 -4.089 -5.026 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 -5.255 -1.764 -7.052 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 0.219 -11.553 -4.354 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 0.234 -2.266 3.648 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 -10.446 -6.938 20.200 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 10.895 9.627 -9.143 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 1.882 1.658 0.295 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 1.965 1.796 2.879 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 -2.919 -2.970 6.924 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 -0.428 -11.856 2.801 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 2.504 9.982 -19.741 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 0.164 -5.611 -3.132 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 0.384 -0.596 -5.770 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 -14.733 -8.578 1.897 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 -7.952 -4.177 -4.752 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 0.649 3.004 -11.296 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 19.077 9.348 2.318 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 1.191 6.144 -10.710 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 -4.814 -9.696 2.831 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 -1.125 17.007 3.089 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 -5.149 3.567 -23.773 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 2.113 2.797 5.746 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 -0.835 5.641 -1.153 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 4.530 -2.381 -3.885 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 0.134 -0.628 1.029 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 -2.177 -1.936 1.034 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 2.291 -0.088 -6.214 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 -3.198 0.560 -3.908 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 -10.264 -22.922 1.622 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 -1.795 -11.543 -3.850 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 3.917 -0.082 -5.142 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 -4.398 8.611 -15.335 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 19.328 -5.133 -8.827 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 -5.078 -4.653 2.781 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 -6.197 -5.168 2.535 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 -4.673 -6.663 -0.014 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 3.867 7.178 -3.348 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 -15.330 -7.080 23.871 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 27.792 8.641 -9.232 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 -3.780 -9.328 2.854 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 -4.967 -5.090 2.159 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 -0.152 -10.842 4.534 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 9.708 2.965 -1.813 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 22.582 0.480 -7.322 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 13.130 0.368 -5.712 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 1.371 1.560 -4.209 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 -19.214 12.753 16.112 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 -1.442 3.148 -0.878 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 0.798 -0.192 0.496 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 -5.299 -4.064 -4.859 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 3.412 -2.200 8.068 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 2.292 -0.140 -1.041 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 -4.737 -0.810 -15.496 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 12.493 0.525 18.917 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 3.380 3.687 -4.133 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 11.870 19.406 -12.630 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 -1.815 18.706 -13.700 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 0.373 4.218 3.379 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 -5.152 4.560 10.703 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 0.624 6.105 6.433 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 3.272 2.007 -6.709 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 4.368 -1.621 -0.450 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 7.826 0.633 -11.714 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 -7.291 0.056 2.925 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 5.883 16.765 -12.945 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 -13.593 8.704 24.158 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 2.369 2.081 1.364 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 -2.639 -7.307 -1.198 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 -2.696 3.565 -10.253 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 2.264 0.901 -2.664 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 -3.438 -6.201 -0.621 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 -1.723 -8.149 -1.408 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 -1.826 2.751 -1.365 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 17.746 -6.142 -20.332 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 -7.063 6.561 3.233 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 1.260 -4.694 -0.752 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 5.227 -4.721 1.686 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 28.108 2.961 14.201 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 -1.685 3.697 -3.378 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 48.043 -2.178 -31.381 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 20.438 2.042 -16.486 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 3.962 4.905 -5.874 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 4.252 6.723 -6.684 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 11.115 -7.684 -7.295 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 -2.025 -2.825 -6.405 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 -3.147 6.328 -7.484 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 -5.055 -13.714 8.767 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 1.374 -3.055 5.604 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 -18.207 -6.728 -15.004 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 -2.817 -10.549 9.208 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 -4.746 -1.009 -1.737 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 -2.748 5.886 13.116 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 -6.334 -6.660 -10.103 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 3.885 -1.740 -2.682 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 -0.589 2.624 -3.327 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 4.522 -0.094 3.253 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 2.949 1.759 2.963 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 -10.337 -6.798 3.256 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 23.938 4.200 -1.274 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 -1.212 4.315 -0.523 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 8.729 8.313 1.138 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 -0.442 17.806 7.609 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 1.145 -1.757 5.702 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 -0.706 4.568 13.880 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 5.743 7.841 0.847 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 -4.456 -0.033 2.163 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 16.107 -16.344 -0.117 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 -36.492 17.375 8.311 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 -0.948 -5.619 3.561 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 0.085 2.614 4.222 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 -6.916 -17.805 12.052 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 4.586 -0.637 0.362 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 -9.109 1.888 7.268 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 -5.055 4.990 2.082 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 -0.758 -5.737 -3.263 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 -9.519 -3.092 -5.305 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 2.422 7.591 -18.484 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 8.265 -0.331 0.186 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 -33.504 -7.615 2.738 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 -14.136 -5.582 4.155 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 -1.600 -4.371 -1.736 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 -5.818 8.158 -10.822 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 -12.072 -7.222 -4.067 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 -1.742 4.497 -3.000 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 3.336 9.853 -9.359 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 -8.894 11.606 -17.134 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 1.002 3.314 -0.320 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 -28.639 -24.929 -1.635 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 4.686 -15.899 -13.013 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 1.149 -2.850 -3.113 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 2.325 -1.119 5.441 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 -0.643 3.329 -6.030 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 2.233 -2.382 1.013 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 16.766 -13.364 10.852 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 -18.077 1.159 0.008 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 0.212 -1.466 -1.236 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 -44.422 -9.923 3.107 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 -4.900 3.982 -17.028 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 -0.883 -0.157 -4.541 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 21.824 -7.618 3.973 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 -5.028 -3.888 1.708 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 -0.730 1.613 2.065 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 26.932 8.525 30.090 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 6.857 -29.429 3.966 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 6.315 -1.364 3.219 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 3.118 13.832 1.160 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 3.291 10.976 1.638 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 -1.730 2.813 -4.190 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 -1.643 -10.806 -13.034 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 -1.859 5.784 2.473 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 -6.484 -1.700 0.480 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 5.120 3.890 5.468 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 0.759 -9.082 7.728 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 1.849 -1.276 -1.972 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 -7.138 3.506 -2.695 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 0.372 -2.137 -12.104 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 1.582 2.676 4.174 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 10.246 1.501 -4.280 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 17.705 23.293 -18.240 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 8.855 1.297 -0.888 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 7.257 3.271 8.165 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 3.536 4.235 20.453 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 -1.344 -2.911 1.338 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 -1.507 -6.084 -0.594 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 -5.180 -11.440 -2.479 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 -0.115 1.000 -0.593 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 -3.168 -4.705 -0.759 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 0.616 -1.095 -5.095 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 -1.386 -3.723 4.140 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 -13.407 -11.922 12.703 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 -9.065 4.270 -8.863 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 -1.435 -7.105 -0.432 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 -0.953 -17.541 0.864 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 -0.891 1.964 -1.691 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 -5.040 1.888 6.611 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 -7.622 8.600 -13.148 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 18.411 4.801 -0.679 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 2.728 1.631 -6.043 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 0.096 -0.660 -13.330 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 4.258 2.542 -5.755 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 4.361 2.594 1.591 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 15.227 -2.603 10.286 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 1.823 17.130 7.647 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 -0.994 2.126 1.442 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 32.865 -11.333 2.877 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 -8.762 6.383 -7.441 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 -3.921 -5.763 0.911 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 11.703 1.266 6.358 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 -2.510 -7.260 -5.086 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 -1.706 -6.616 -4.157 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 -1.967 -12.305 15.235 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 0.736 11.330 1.769 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 5.891 4.370 -1.104 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 8.045 13.871 -3.350 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 8.037 0.486 -8.067 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 2.619 -0.269 8.311 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 -7.253 4.696 6.312 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 4.429 -6.060 -1.840 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 1.249 8.470 -0.638 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 -5.423 11.202 10.764 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 1.529 7.826 -1.947 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 3.431 1.161 2.519 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 5.309 -7.870 9.605 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 -3.389 -0.206 3.887 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 -1.652 -5.712 -1.514 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 2.317 2.124 -1.453 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 -1.629 -34.467 -6.383 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 5.361 1.727 -6.258 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 34.729 12.235 6.623 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 9.678 -22.687 -9.294 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 1.709 5.120 2.597 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 -0.537 -1.560 2.806 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 -11.576 -9.562 1.193 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 1.871 -1.797 -6.094 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 10.046 -11.225 -8.959 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 3.020 8.183 -12.294 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 -5.841 3.326 5.618 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 -10.569 2.644 2.590 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 2.907 6.706 11.130 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 -8.282 3.647 5.910 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 -10.349 -0.239 2.898 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 -7.575 -1.665 -1.430 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 -0.505 -5.102 0.135 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 -1.456 5.062 -7.096 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 3.403 -5.113 3.603 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 0.912 2.532 -2.599 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 -6.688 -1.197 -24.824 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 -0.215 3.495 -7.842 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 0.088 -3.800 0.217 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 21.628 7.178 -8.789 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 8.086 13.105 1.965 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 0.439 1.605 -6.186 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 11.039 -19.620 -3.824 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 20.326 12.335 8.916 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 6.968 -0.319 -6.216 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 -5.191 -12.469 -20.148 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 21.395 21.687 -16.534 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 2.090 -6.119 -1.838 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 -27.069 -4.424 -12.398 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 -23.190 -6.900 -20.900 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 -8.310 5.409 4.354 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 -5.934 12.036 -0.305 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 -14.604 8.781 -2.988 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 -2.534 3.197 1.777 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 0.920 3.279 23.568 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 3.113 -16.783 21.210 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 -6.414 7.513 1.084 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 -0.122 3.621 10.541 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 -3.179 -4.562 -2.953 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 -2.761 0.054 -1.158 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 3.127 -8.102 -1.203 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 23.354 1.356 -25.221 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 -4.504 -1.614 2.118 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 5.373 2.891 12.738 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 -2.866 -0.660 -1.874 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 -1.683 -2.091 6.411 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 14.519 -5.392 23.309 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 -9.136 -24.588 2.023 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 -3.089 6.715 -4.738 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 -7.598 1.973 -32.091 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 -8.694 14.036 0.301 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 1.529 0.034 -0.125 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 0.590 3.355 13.364 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 -0.841 3.781 3.095 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 -2.244 1.985 -1.701 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 -2.851 -7.103 -1.093 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 4.252 7.972 -11.952 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 3.395 -3.808 3.779 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 1.457 1.091 2.030 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 3.055 -17.703 -6.539 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 2.293 -4.638 1.915 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 23.455 15.413 1.590 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -6.583 -4.195 -4.462 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 -2.673 3.100 -4.004 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 -1.075 -0.515 12.321 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 -10.310 -5.405 -10.761 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 0.379 4.021 1.006 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 -14.787 1.651 0.626 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 -8.876 27.099 -2.283 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 -4.064 3.660 -4.433 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 8.276 10.717 6.198 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 13.376 13.075 10.287 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 -0.072 -7.782 2.520 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 7.606 17.330 12.507 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 -5.663 10.217 28.590 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 -1.731 1.508 0.069 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 11.769 38.233 -13.085 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 12.087 -32.781 -0.416 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 3.100 -0.634 -0.995 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 -4.572 -19.918 9.161 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 -0.698 -10.932 3.689 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 0.740 -0.867 7.317 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 -5.469 -5.051 2.476 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 -6.730 4.550 6.256 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 0.068 -2.931 -1.565 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 -9.760 -7.204 -1.747 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 -11.584 24.734 -8.894 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 2.313 4.847 -2.724 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 1.490 17.338 -4.930 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 4.837 -10.652 -0.052 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 -4.938 1.395 -0.787 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 -7.335 -9.763 15.398 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 -15.449 2.488 -3.553 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 6.005 -3.005 4.053 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 0.724 -0.932 0.187 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 26.671 -11.808 -12.145 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 3.843 2.804 -2.443 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 15.631 -3.371 -11.651 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 30.190 -3.143 -20.231 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 0.238 0.642 -5.577 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 13.288 12.637 -10.100 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 1.134 2.728 10.115 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 -1.484 -2.230 -3.731 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 4.476 -26.003 7.423 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 3.374 17.877 16.755 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 1.964 1.139 10.326 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 0.205 -12.669 15.570 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 10.552 10.628 -5.641 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 1.076 -1.034 2.397 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 5.714 2.388 2.086 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 10.569 0.934 0.596 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 4.246 1.007 -1.952 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 18.400 0.294 -17.730 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 5.781 2.920 2.851 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 -0.615 -0.348 3.843 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 -8.323 6.956 14.201 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 -10.769 -1.427 -2.059 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 -6.042 2.160 -2.411 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 11.904 11.216 -19.783 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 5.282 -8.592 -19.330 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 -0.007 7.442 2.384 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 35.520 -1.605 9.336 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 7.695 1.327 -11.384 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 2.996 -2.312 -4.668 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 1.383 13.068 5.382 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 20.914 1.162 -16.764 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 4.678 -2.526 0.272 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 1.996 -0.039 -10.392 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 -5.577 -4.417 -0.394 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 -1.859 -2.403 4.845 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 -6.706 2.091 -0.020 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 5.274 4.373 -5.867 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 0.602 -5.645 -6.596 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 -7.089 -3.209 -1.379 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 -17.585 0.958 8.607 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 2.315 -2.060 -2.424 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 4.639 21.351 -24.687 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 0.778 -19.346 13.452 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 -5.257 3.123 1.640 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 -14.750 -2.535 -3.506 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 -6.407 -1.795 12.973 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 3.247 2.244 4.512 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 39.169 9.230 -22.186 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 -16.909 23.626 -12.144 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 -4.319 -5.848 1.013 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 -2.881 7.305 11.617 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 14.789 10.575 -20.438 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 -5.199 -4.206 1.078 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 3.720 15.620 -11.192 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 -25.150 -31.332 12.173 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 3.201 -1.961 2.844 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 8.742 -0.296 -6.043 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 3.372 -8.986 2.387 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 2.295 0.933 -1.010 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 9.851 1.573 0.710 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 -0.153 -0.867 -1.229 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 -3.421 -5.585 -5.839 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 -4.411 15.819 -8.580 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 -9.741 -16.359 -12.707 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 2.005 -2.099 1.025 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 7.069 0.321 -1.848 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 -6.615 1.756 12.558 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 3.500 3.901 4.379 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 0.474 0.906 4.476 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 -25.740 -22.469 16.338 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 -3.896 -3.022 -2.080 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 3.046 -7.234 -2.458 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 3.124 -14.356 -12.734 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 3.245 -3.947 2.930 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 4.627 -0.230 3.557 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 1.674 1.412 8.607 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 5.955 -0.071 3.703 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 10.527 5.456 2.079 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 11.223 15.524 14.138 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 0.768 -0.469 -6.325 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 -1.653 9.219 21.102 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 8.853 12.958 -1.615 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 1.894 5.697 -1.702 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 0.874 6.794 3.023 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 4.671 13.024 -7.190 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 -0.072 0.747 -6.697 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 0.627 28.162 -13.337 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 -15.559 8.157 0.747 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 -1.735 2.370 -6.621 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 -5.183 -7.846 -10.852 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 2.068 -2.869 -17.413 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 3.789 1.414 -1.175 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 -0.972 -5.153 25.715 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 4.854 2.693 -8.324 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 5.276 -9.022 1.669 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 7.346 -12.562 15.278 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 -3.862 6.807 8.714 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 1.193 2.102 -3.077 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 1.662 -3.663 4.319 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 1.650 4.062 20.111 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 2.487 -0.061 -3.365 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 -7.391 -13.710 -9.772 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 9.545 -0.206 -11.637 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 -6.180 2.747 -3.188 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 2.914 12.880 -10.557 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 -1.548 -7.433 -0.670 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 -2.229 -3.482 3.768 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 3.310 -14.916 5.250 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 10.422 -14.335 10.041 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 -1.621 0.540 1.748 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 11.073 11.128 -15.714 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 -7.883 -4.834 9.689 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 1.172 5.611 6.919 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 27.212 11.566 9.123 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 -16.958 1.171 5.410 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 -4.574 4.266 6.703 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 20.311 4.300 -2.524 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 13.361 19.848 -1.864 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 -0.842 2.138 5.973 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 0.813 0.938 8.136 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 3.945 5.023 4.428 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 7.358 -6.633 1.092 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 20.754 -17.581 -4.394 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 -4.696 -5.550 16.566 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 -5.517 5.710 -0.654 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 -5.592 -2.453 11.863 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 9.503 4.995 7.010 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 -1.982 -2.364 0.156 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 -1.371 1.992 8.414 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 0.906 -0.567 10.579 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 -4.485 2.732 0.331 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 15.751 1.446 5.161 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 -13.199 -13.916 10.777 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 4.751 2.671 -0.640 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 5.616 19.193 4.072 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 -9.885 -13.340 -3.508 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 -2.716 -5.038 1.626 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 -5.165 -7.174 -0.073 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 -13.525 30.906 6.457 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 4.897 -4.481 -2.218 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 2.939 -6.002 -25.268 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 4.793 -5.798 -3.965 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 -3.477 -0.306 4.085 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 1.025 -4.060 3.661 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 5.370 -7.029 3.990 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 -0.545 -4.820 -4.713 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 -13.093 -10.772 -12.611 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 -0.640 2.248 8.803 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 -4.373 -1.667 -5.926 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 9.424 -4.145 -22.160 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 0.486 17.832 2.275 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 -6.674 -0.870 5.199 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 8.626 -9.121 17.363 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 -8.545 -1.495 20.635 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 -5.341 0.942 0.252 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 -12.961 14.775 12.991 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 -1.455 6.817 1.741 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 0.574 -2.296 -4.651 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 -5.475 1.494 -3.190 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 -16.188 8.680 2.199 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 3.392 -3.238 -0.874 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 -7.650 0.574 -6.795 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 -3.657 29.961 2.082 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 -2.152 0.828 7.968 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 9.085 13.906 27.402 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 3.846 -6.139 -9.215 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 -0.225 4.362 -3.099 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 11.198 27.081 -11.711 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 18.778 -7.551 -0.303 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 -1.004 -0.954 3.568 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 7.373 0.898 10.574 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 -6.818 4.671 3.570 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 5.577 4.187 -3.751 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 30.803 4.937 -13.391 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 -5.088 17.473 -13.616 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 0.759 -1.507 -3.723 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 -15.745 4.410 -7.242 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 -0.734 -0.989 7.882 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 6.047 2.689 1.556 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 -4.538 -4.805 -20.085 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 -3.183 0.207 -0.249 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 3.126 -2.705 0.156 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 -0.916 -0.930 0.159 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 -4.694 -8.264 -3.837 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 1.158 1.432 -0.858 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 10.978 2.780 -29.142 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 0.669 -21.425 -12.460 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 -1.430 -4.713 2.359 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 3.043 -5.392 -3.470 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 16.632 -0.591 2.877 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 1.880 9.892 1.736 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 12.157 0.581 14.909 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 -5.442 -3.512 -8.314 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 -7.098 4.648 -2.413 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 5.446 0.454 10.380 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 2.956 -15.973 -16.714 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 2.689 -1.224 0.389 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 -0.765 -8.531 1.531 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 -6.534 -6.542 -4.217 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 3.615 2.904 -5.107 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 10.419 -11.882 14.739 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 -14.471 17.860 -16.336 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 4.177 12.597 2.884 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 -9.457 14.865 -8.285 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 11.115 -21.453 2.934 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 6.690 1.799 -3.126 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 -7.809 -6.390 4.293 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 3.320 2.522 -1.988 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 4.208 5.835 -1.208 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 4.302 4.006 -4.904 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 -1.480 4.511 8.437 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 -3.305 -1.574 -1.146 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 -7.406 1.907 -7.366 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 5.684 -10.072 9.611 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 -3.633 -0.585 -3.944 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 -24.484 -20.780 27.665 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 3.786 5.447 -22.915 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 -2.814 7.179 2.942 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 10.667 -0.059 12.145 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 -5.112 -0.186 2.159 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 0.621 -5.820 2.566 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 13.216 -6.579 0.474 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 12.012 -10.953 3.940 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 -2.165 1.601 -8.800 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 -4.855 -6.140 -6.270 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 -10.077 -23.398 -0.357 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 -0.407 1.055 -3.288 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 12.588 4.006 0.736 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 18.806 -0.287 -2.333 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 -3.635 4.971 -1.750 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 -7.446 3.120 11.322 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 3.206 2.168 -8.751 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 3.173 3.577 -1.022 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 17.235 8.614 7.496 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 -5.538 12.860 2.719 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 -9.054 -6.380 -0.842 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 0.323 -6.963 -1.011 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 9.658 -6.787 8.681 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 2.551 -3.114 -0.359 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 2.861 -4.543 -0.899 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 25.161 -8.865 -11.275 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 -1.575 -0.459 -5.778 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 -3.435 3.759 -10.256 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 8.172 -20.967 -2.119 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 2.409 -0.984 -0.679 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 5.804 -2.038 -1.668 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 1.273 -8.834 16.821 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 0.865 -2.487 5.134 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 -20.276 14.923 18.293 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 -22.678 -10.229 -22.930 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 -3.735 -1.415 -9.103 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 -4.358 23.668 -16.480 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 -5.947 25.738 -23.798 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 3.506 2.895 2.895 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 -0.819 0.399 4.333 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 -2.021 -7.443 -7.049 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 3.428 1.646 5.635 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 -23.686 -2.180 -36.382 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 -20.525 -2.801 -24.019 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 4.560 1.183 -1.184 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 -1.875 -12.199 -20.104 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 4.957 -6.422 -0.632 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 -0.753 -2.374 0.061 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 -8.937 3.656 25.624 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 -25.285 -20.031 3.817 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 4.926 -0.887 0.414 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 -15.875 9.264 -18.942 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 -14.898 12.302 -8.241 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 -2.998 -2.521 -6.487 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 3.894 1.805 -16.039 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 1.637 16.111 13.907 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 5.947 -0.936 -4.377 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 0.728 26.941 -6.355 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 -7.578 -26.194 -2.857 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 -2.520 0.663 -1.144 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 7.127 10.434 6.944 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 26.627 -15.945 -15.435 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 -4.047 -1.883 5.823 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 9.117 1.729 16.245 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 -13.310 17.845 -11.918 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 -2.960 -4.940 -2.174 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 -14.438 -8.605 13.288 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 -5.058 -8.418 0.225 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 3.549 -0.857 2.470 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 17.783 -28.386 -10.817 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 6.577 -3.081 -5.946 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 -1.657 3.758 -7.528 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 -9.245 -9.840 -1.583 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 -5.741 2.931 -0.851 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 2.789 0.391 1.020 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 -16.905 -0.831 6.893 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 10.881 -16.962 0.451 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 -1.933 5.208 2.003 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 -6.573 11.198 -15.419 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 -0.631 -8.786 -4.847 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 -2.640 -4.118 -2.502 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 3.529 -8.980 4.035 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 -2.002 3.633 -0.975 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 -1.779 -1.409 -2.770 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 0.773 5.309 -7.845 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 -8.536 -1.766 -4.315 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 4.905 0.265 0.240 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 -18.400 -15.676 2.778 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 9.768 3.244 -1.073 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 2.913 1.683 -4.228 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 0.946 8.854 -19.633 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 -9.920 11.654 14.199 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 0.040 6.809 -3.161 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 2.270 -0.711 -8.083 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 -30.960 -13.791 6.920 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 -5.873 -0.761 0.850 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 15.400 -23.926 -3.094 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 -12.476 -1.684 10.324 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 -1.869 -2.757 -2.571 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 -11.106 -11.342 -5.965 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 22.317 11.296 -32.349 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 -0.204 -2.750 -2.627 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 0.443 -4.902 -4.689 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 19.568 -11.111 -18.168 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 -3.618 0.106 3.327 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 -11.514 -3.081 13.944 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 -14.027 1.908 -5.639 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 -0.507 -4.678 -0.720 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 9.667 17.963 17.241 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 -5.277 -9.067 -12.593 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 3.726 -2.389 -0.128 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 23.586 17.296 20.785 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 9.325 -5.141 -6.097 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 4.694 -6.098 -2.411 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 3.690 8.285 -3.094 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 -12.122 -3.731 13.541 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 5.978 -4.450 2.071 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 5.519 -15.537 -16.913 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 0.884 6.318 -6.561 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 5.173 1.462 0.778 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 1.176 16.228 9.685 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 14.332 -5.428 13.081 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 0.325 -8.833 0.506 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 17.240 -3.895 -10.673 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 16.848 -3.755 -18.214 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 -1.482 0.657 4.500 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 -10.896 20.928 -17.373 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 -0.329 0.006 5.457 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 0.161 1.026 -0.945 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 -18.838 1.853 -10.271 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 9.578 2.794 5.405 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 -2.296 -1.511 0.154 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 -3.215 -0.992 6.340 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 -13.703 -3.625 3.197 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 -3.417 -6.846 1.398 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 2.165 30.144 -28.838 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 -2.622 -22.363 15.828 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 1.126 2.869 -0.150 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 -16.538 18.330 11.772 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 3.788 -9.012 -11.078 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 -1.835 -2.736 -1.737 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 -7.856 -15.115 -8.259 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 9.100 -5.804 2.754 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 3.722 3.468 -0.631 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 -0.793 -3.840 5.983 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 2.932 15.134 4.896 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 1.100 -0.198 9.582 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 18.091 -1.080 -3.098 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 0.900 -19.718 18.465 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 -9.936 -0.591 -2.326 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 -11.160 0.603 -0.671 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 -11.392 1.755 -3.127 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 -0.626 -1.346 -4.252 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 -1.552 -18.734 5.377 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 -2.442 7.322 12.986 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 -0.927 0.264 -2.936 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 22.607 -2.665 -9.584 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 3.140 -14.809 -1.306 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 0.412 2.930 9.142 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 0.351 -23.414 -0.296 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 9.886 -24.975 -15.707 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 -1.064 0.079 -3.796 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 -5.654 25.878 -1.554 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 28.703 -3.356 -4.036 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 -6.755 3.566 -7.163 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 -5.369 3.422 -1.912 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 -13.468 8.215 -9.165 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 -1.825 -2.219 -0.388 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 -1.559 -15.096 14.737 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 -10.603 -20.269 -12.842 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 -2.003 -1.317 -4.360 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 4.226 13.088 -21.441 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 -12.100 -4.133 5.438 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 -4.281 -6.983 0.616 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 -1.981 -4.400 22.680 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 -0.867 -4.674 -20.482 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 3.264 4.281 1.928 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 6.367 11.829 -17.304 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 -10.475 13.162 5.746 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 1.423 -6.799 0.403 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 -0.447 -6.230 -9.320 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 0.786 -6.278 -13.581 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 -6.550 4.256 2.320 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 -26.705 2.885 4.549 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 -21.668 3.221 4.451 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 -0.699 -5.466 0.873 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 -6.338 -12.513 -0.825 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 -7.652 1.403 15.008 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 -2.136 -5.450 3.562 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 -6.213 5.708 11.657 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 6.864 -10.681 6.584 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 -1.505 -10.089 -7.030 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 17.929 -8.258 -4.063 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 15.310 9.426 -13.059 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 -1.415 1.600 8.148 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 14.337 -13.255 30.591 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 -13.436 8.894 -5.672 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 -4.516 3.056 -1.050 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 -16.677 -11.074 8.251 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 19.655 8.201 -4.008 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 -5.836 -7.081 3.486 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 1.559 -4.194 10.804 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 7.244 0.471 16.464 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 5.544 1.733 0.109 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 3.083 -0.915 -18.164 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 -9.724 -13.331 22.675 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 5.362 3.616 -5.557 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 8.500 1.588 -10.044 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 12.421 -13.327 -11.804 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 -6.369 -1.012 -3.182 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 -45.644 -10.377 -5.617 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 -13.590 6.435 3.130 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 -3.557 -5.128 0.698 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 -0.534 25.136 -21.362 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 -24.249 -28.012 12.998 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 -2.061 -1.850 3.320 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 4.338 -1.024 9.574 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 -0.235 4.377 11.340 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 -0.400 -11.074 -2.151 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 11.881 4.303 -7.395 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 10.603 -21.024 6.590 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 -10.465 -4.378 2.135 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 -16.921 -13.807 7.183 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 -25.541 7.596 -1.087 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 2.128 -3.944 -1.381 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 -24.181 -22.940 -6.360 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 -8.592 12.668 33.439 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 0.671 1.865 0.746 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 -2.620 -1.647 7.125 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 15.232 14.279 -16.396 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 2.620 2.418 -4.239 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 4.833 5.441 -1.840 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 5.222 0.961 -8.371 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 4.042 0.912 -1.935 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 -1.204 8.872 14.152 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 1.290 5.661 3.641 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 -0.855 1.197 -1.697 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 21.546 7.419 -4.187 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 -12.164 -21.698 6.907 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 1.529 -3.384 8.177 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 -7.575 -19.896 -20.943 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 4.427 0.119 15.095 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 -4.518 -1.668 0.388 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 -16.980 -1.333 -10.217 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 21.566 -2.021 -5.042 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 -0.675 -1.475 -3.717 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 2.628 2.019 -2.470 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 1.875 21.364 0.892 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 -1.047 2.277 1.141 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 -7.899 -5.389 11.981 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 -10.258 1.044 -9.929 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 -0.122 6.184 -1.314 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 9.164 21.757 0.216 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 2.627 -2.269 -10.091 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 2.726 4.068 7.803 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 4.155 4.719 8.419 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 2.618 0.350 5.789 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 5.194 0.018 1.786 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 3.862 3.241 -18.379 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 -1.481 2.934 5.927 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 1.204 -1.714 -6.198 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 -2.797 -9.670 -2.222 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 -5.181 -14.727 -13.120 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 -3.081 -0.825 -4.317 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 2.008 -11.875 -0.370 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 -6.935 6.303 5.939 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 1.440 2.043 -0.814 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 3.086 4.538 2.746 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 -6.926 17.768 24.048 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 -3.117 3.348 -8.703 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 5.901 26.454 4.371 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 -9.491 -25.071 -19.730 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 -4.326 -5.451 -7.983 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 17.823 -12.904 -1.359 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 -11.773 -22.113 -22.577 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 -6.346 4.504 3.695 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 29.064 -13.816 15.674 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 12.238 25.723 38.523 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 3.123 7.780 -1.975 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 -18.948 -17.563 6.118 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 -12.316 12.625 -14.787 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 0.058 5.780 5.741 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 -9.420 1.148 -28.783 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 4.236 -2.574 3.211 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 0.546 4.602 -7.146 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 15.081 -7.112 3.710 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 -15.249 1.949 8.572 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 5.225 -1.487 -3.658 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 -7.789 -1.313 -4.348 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 -19.129 -10.388 -7.106 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 -1.733 -6.180 -0.268 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 -16.866 -4.436 -8.746 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 22.923 -7.035 21.870 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 -3.444 4.439 -1.160 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 -3.103 0.618 7.058 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 -6.121 12.623 -17.297 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 -6.078 2.091 -4.803 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 5.707 -5.799 -6.917 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 1.867 -6.399 -6.979 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 -3.396 -4.932 2.680 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 -4.733 4.202 -5.704 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 -4.145 -0.538 8.526 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 -1.387 0.141 2.492 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 0.232 -14.682 -1.725 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 -8.788 -6.470 8.388 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 -6.268 0.696 1.915 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 -15.695 -5.813 0.461 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 -10.616 1.239 7.547 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 1.800 -2.425 -6.717 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 13.404 12.207 -2.157 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 7.187 -18.098 -15.410 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 -3.042 5.213 7.240 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 -4.624 2.350 9.440 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 -0.586 11.692 1.905 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 2.054 10.545 4.259 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 8.686 16.396 13.135 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 7.657 1.207 7.380 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 5.161 -0.873 -1.120 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 -21.826 15.103 -17.998 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 0.247 -3.848 -9.940 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 1.536 2.109 -1.731 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 -0.537 6.525 7.110 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 3.799 -1.908 -6.818 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 -0.282 -0.895 -5.497 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 -3.729 -5.342 13.722 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 14.153 -4.653 -5.276 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 1.777 2.194 2.604 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 -0.956 -3.703 -2.607 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 3.153 9.187 6.900 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 -0.305 7.365 -9.173 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 -24.593 -2.556 -9.562 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 4.971 18.260 0.906 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 -2.204 7.539 0.993 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 -2.621 -8.989 3.643 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 -15.024 2.962 11.436 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 -2.987 -3.559 0.120 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 -5.598 -5.912 14.825 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 27.647 1.889 16.996 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 5.747 2.389 1.989 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 2.359 -1.533 2.363 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 4.860 3.756 3.972 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 -1.626 -5.884 3.533 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 -2.887 1.245 5.750 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 -0.296 -6.519 4.453 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 2.937 -3.352 2.935 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 -19.052 -15.619 9.050 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 3.403 17.625 1.733 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 1.402 -7.267 3.716 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 1.816 -4.304 6.803 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 3.883 -11.956 8.769 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 -7.703 5.921 -2.882 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 -16.755 -9.687 -6.940 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 -26.231 -5.569 9.301 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 3.009 -3.534 2.490 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 10.422 -5.137 16.571 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 -4.370 -7.408 6.526 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 -1.231 -2.692 6.088 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 -4.046 -0.724 -7.600 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 11.000 3.598 7.295 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 5.574 -3.547 -5.216 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 5.674 -22.123 -24.350 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 -12.509 -11.235 -27.041 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 4.129 -2.659 2.446 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 8.644 21.106 -5.303 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 -0.138 -4.176 -5.940 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 -4.172 -7.187 5.737 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 24.629 -17.003 -9.563 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 -11.005 -5.976 0.437 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 0.097 -4.534 5.538 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 8.685 -8.386 10.640 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 -0.051 9.522 -1.085 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 -0.372 4.092 -0.977 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 10.194 11.991 -2.242 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 -3.646 9.147 10.404 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 4.058 3.159 -2.714 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 7.056 3.133 3.829 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 2.062 0.687 -11.965 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 -4.973 0.707 -2.220 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 -11.665 0.360 -5.098 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 -6.152 -2.949 6.209 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 -2.331 2.677 -1.752 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 -0.375 5.618 1.787 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 11.996 2.861 -2.095 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 2.245 8.045 -6.970 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 -4.949 -8.099 -1.077 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 9.572 4.904 13.121 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 2.577 -5.748 -0.905 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 -28.293 -4.599 -7.397 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 -30.846 -12.493 -8.559 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 -1.906 0.373 0.775 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 -0.368 14.175 -2.901 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 11.411 -8.332 -6.333 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 -3.137 -0.903 -1.221 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 8.343 37.636 -7.016 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 -31.242 -4.258 2.330 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 1.328 7.753 -4.703 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 -4.036 -0.690 0.474 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 3.551 0.245 10.352 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 -0.165 0.383 -3.545 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 -10.367 -15.037 26.257 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 18.380 -27.505 -16.261 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 1.649 2.112 5.810 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 1.683 24.311 7.336 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 -7.847 7.263 5.513 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 -5.544 -4.903 -0.627 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 1.518 -11.650 -5.640 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 -3.956 6.575 -5.119 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 -1.488 5.939 -1.212 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 -3.110 -4.516 3.289 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 6.024 12.435 -3.736 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 -2.463 1.268 2.406 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 3.323 1.356 0.491 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 -15.262 -1.994 0.613 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 -6.817 -3.373 -3.181 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 10.645 16.256 -10.290 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 -18.209 -19.753 0.107 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 1.841 0.608 0.500 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 3.234 5.501 -15.919 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 19.872 -17.689 -0.234 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 -3.311 4.259 -5.019 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 16.540 -19.639 5.256 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 6.260 -11.132 -2.756 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 0.457 -1.906 2.062 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 12.367 16.391 -0.131 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 -9.916 5.019 -11.378 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 4.042 1.272 -2.111 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 -6.140 15.744 2.309 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 -7.753 0.459 3.011 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 7.714 6.717 -2.862 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 -6.799 -2.360 -22.899 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 37.815 -6.660 -4.215 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 4.773 -5.363 -0.554 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 10.605 0.387 -3.927 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 -1.063 -8.748 -7.256 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 1.417 -1.413 0.325 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 -9.201 -14.615 12.077 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 9.613 35.696 -9.196 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 -2.238 0.636 0.560 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 -10.623 20.340 18.101 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 -4.243 3.563 10.123 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 4.976 -4.491 -2.321 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 9.138 -17.669 8.095 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 -2.043 1.070 28.599 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 4.466 3.129 0.531 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 2.832 8.560 1.379 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 1.517 -7.692 -4.232 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 -3.007 -3.489 5.113 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 -9.075 -12.776 20.356 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 -5.171 -14.391 -8.299 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 -2.714 0.059 -2.403 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 5.591 -5.030 3.558 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 -37.265 -5.357 10.543 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 -1.254 4.507 0.031 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 -21.181 -5.083 7.279 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 27.332 -11.782 10.038 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 3.852 3.189 -4.054 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 -2.530 7.220 5.808 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 -19.698 -8.108 11.988 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 -2.090 -4.860 1.393 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 -11.030 7.526 -9.497 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 4.790 -8.306 -10.387 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 -9.008 -8.327 -0.748 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 -5.873 8.689 -19.197 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 7.368 -18.144 -2.827 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 -4.174 2.748 0.164 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 -2.694 -0.749 1.992 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 -6.233 17.922 -6.678 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 -0.010 -2.389 0.106 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 -3.101 -0.655 6.318 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 4.003 -5.242 5.058 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 1.936 -2.826 -5.666 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 1.419 -13.520 -24.439 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 -24.357 -5.056 20.662 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 -2.453 0.577 3.902 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 2.999 10.567 17.199 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 -14.757 -1.041 19.670 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 1.565 0.242 -5.035 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 -6.167 -7.253 -8.197 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 -14.628 -11.928 -19.245 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 -1.244 3.258 7.265 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 21.329 18.992 0.577 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 -10.880 16.022 -3.075 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 4.599 4.008 -4.299 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 13.035 1.288 2.495 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 4.274 2.333 -3.226 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 -0.867 -1.322 1.349 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 1.368 22.629 -6.377 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 12.898 -5.250 20.922 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 1.948 1.807 6.597 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 16.018 -6.997 -9.012 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 8.755 -10.277 6.442 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 -7.822 -0.216 -1.793 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 -13.454 -4.995 0.485 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 2.006 5.993 3.167 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 -1.664 -10.555 2.588 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 10.920 -4.818 15.076 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 22.781 1.776 21.683 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 -1.110 6.472 1.077 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 -2.366 4.232 -2.288 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 -0.533 2.745 -4.545 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 2.782 1.615 -0.170 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 -13.370 7.014 -7.019 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 -2.894 2.255 30.453 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 2.949 5.790 3.630 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 1.572 6.035 1.861 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 -7.272 27.429 17.141 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 3.081 4.546 4.991 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 6.932 2.877 -1.955 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 18.633 10.615 12.281 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 0.783 1.311 -1.371 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 -8.400 18.949 -4.120 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 -12.105 4.516 19.233 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 -4.139 1.716 7.888 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 1.469 -0.224 -23.610 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 -4.874 1.115 5.927 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 -3.897 -2.507 1.226 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 -28.222 -15.300 16.975 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 -15.571 16.375 4.507 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 -1.536 1.490 -0.112 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 22.060 -2.773 10.714 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 8.261 1.994 4.350 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 3.007 1.861 -4.174 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 5.629 -4.176 -22.779 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 3.546 1.555 -4.315 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 0.082 2.115 -1.768 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 9.020 -7.129 -8.316 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 -12.763 20.066 -5.157 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 -1.044 -1.057 1.697 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 17.176 -1.782 -9.296 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 -14.811 2.044 4.473 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 3.863 0.025 -1.812 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 -4.479 21.388 23.461 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 13.256 -1.220 -12.948 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 -2.999 -5.825 -1.989 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 1.129 -9.561 -16.661 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 3.828 -10.231 17.145 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 3.202 1.997 0.657 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 -0.159 20.677 11.217 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 1.234 9.056 -20.830 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 -0.107 5.790 -2.766 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 -4.710 4.590 -10.792 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 13.261 15.439 30.910 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 -3.448 -8.224 -1.651 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 2.018 -7.301 -3.763 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 0.383 -1.234 -0.552 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 7.590 8.772 0.358 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 -1.486 -2.414 18.906 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 9.661 13.854 -8.071 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 5.595 2.794 -1.424 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 2.412 -5.610 -2.709 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 10.448 -4.740 4.643 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 -0.863 -6.298 1.733 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 2.940 2.433 -3.909 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 -24.121 -7.707 10.714 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 3.735 7.622 3.001 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 0.161 3.560 -4.275 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 15.363 4.073 0.431 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 1.708 -9.226 -8.882 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 -9.465 -17.087 -13.312 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 -8.665 -11.960 4.319 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 -0.674 6.010 0.511 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 -2.004 8.940 3.831 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 -6.429 1.432 12.055 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 -2.963 -3.201 -4.418 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 -7.979 -10.251 -1.956 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 -11.656 0.683 -7.872 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 -6.960 -0.342 2.309 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 -21.239 19.239 5.706 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 8.807 -16.683 0.576 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 2.100 -1.273 -2.405 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 3.778 1.445 -3.011 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 2.715 -1.706 1.445 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 2.754 -2.905 1.592 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 5.773 -2.542 -26.143 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 6.119 -2.836 -35.591 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 2.329 -0.398 -2.502 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 23.668 -21.887 -5.899 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 2.705 7.514 -9.615 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 -5.899 2.317 4.380 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 13.172 -9.455 -3.468 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 -1.624 33.633 -8.260 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 -1.673 -0.519 0.340 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 1.766 13.500 7.496 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 -7.254 0.690 -8.183 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 0.705 4.290 -5.031 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 -2.635 15.615 -23.107 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 -9.156 -6.317 12.355 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 -1.505 -3.087 -6.797 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 -25.909 -18.140 -4.742 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 -8.300 18.591 -29.206 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 0.884 -6.967 3.267 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 -12.930 25.334 5.858 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 3.844 -10.386 21.517 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 -3.289 1.258 4.023 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 6.796 1.273 -3.874 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 14.971 2.626 -11.412 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 -6.343 0.249 2.374 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 -26.211 -8.658 15.821 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 1.800 -18.953 0.652 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 -1.106 -0.967 0.183 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 -5.544 -7.885 12.643 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 -8.856 3.863 -1.861 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 8.963 1.550 -0.909 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 5.718 3.623 -15.013 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 4.418 7.854 8.611 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 -8.239 -1.641 -5.756 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 -28.273 11.577 -9.865 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 -4.096 -5.583 0.200 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 -1.539 -0.700 -1.009 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 11.164 9.837 2.077 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 0.979 2.952 3.367 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 -4.371 -0.690 0.342 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 20.127 -19.273 3.201 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 7.509 -3.908 17.705 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 2.343 -2.368 1.803 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 20.828 11.472 -10.885 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 -33.125 -8.180 8.361 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 1.267 -1.097 4.184 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 -0.526 -3.753 16.066 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 -5.837 -3.494 14.065 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 -0.658 -3.683 -1.225 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 14.787 3.660 3.403 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 -13.994 8.997 5.348 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 3.900 -2.318 -3.085 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 11.227 -9.285 -8.468 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 -13.834 7.270 -6.795 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 0.389 -2.564 4.016 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 -17.445 3.145 14.185 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 -5.673 -3.399 -9.894 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 -0.993 3.762 2.276 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 0.275 4.972 3.719 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 2.702 8.073 8.306 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 4.434 -2.803 0.069 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 -3.540 0.871 -17.843 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 13.672 -3.967 8.243 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 -0.800 -5.194 -2.375 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 -1.877 -16.862 10.503 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 -6.399 -34.028 37.216 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 1.704 -3.364 -0.449 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 3.870 -5.646 -18.379 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 11.408 15.612 0.629 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 3.363 -4.008 7.442 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 -5.285 -17.170 43.488 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 0.220 -3.375 9.343 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 -2.556 1.520 2.215 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 -5.184 6.898 0.280 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 3.344 14.093 -3.376 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 3.860 2.184 -3.522 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 15.968 1.068 -6.242 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 -1.149 -5.012 0.399 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 0.412 3.492 -5.974 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 -9.037 -0.013 -3.800 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 9.793 -2.391 5.661 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 5.035 5.056 6.200 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 9.037 18.942 15.380 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 1.958 -1.043 1.226 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 -0.475 -3.340 -1.246 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 -1.934 -7.667 24.705 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 -0.088 -4.651 -17.912 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 1.459 3.146 -1.844 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 13.868 15.207 1.388 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 -1.971 -15.865 -0.820 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 2.289 2.051 -7.688 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 0.064 -12.143 -9.363 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 0.352 9.768 -10.203 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 -5.357 -2.055 -5.253 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 -0.158 12.534 -12.074 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 -1.745 13.670 -10.115 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 1.083 -0.209 4.479 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 0.732 -4.580 -9.542 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 12.092 2.184 16.666 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 -3.047 2.819 0.369 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 -3.557 -1.071 2.316 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 22.560 27.974 1.652 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 5.586 2.585 2.732 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 -1.259 0.395 -8.980 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 9.784 -4.054 12.955 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 -5.244 5.338 -5.988 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 11.339 -4.871 1.905 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 3.506 0.459 -2.466 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 4.977 -0.380 -1.447 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 0.345 8.957 6.060 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 13.376 3.546 5.701 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 -5.366 -1.835 -4.843 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 -2.265 -2.587 -5.061 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 -0.212 2.220 -3.709 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 3.750 3.219 -4.065 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 3.024 -4.028 -1.245 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 -6.896 -0.203 -14.475 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 -3.708 -0.616 -3.988 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 -7.811 -2.892 -20.716 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 -7.358 17.921 1.147 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 1.402 2.814 -0.452 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 -0.193 6.657 12.860 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 7.890 8.596 -6.400 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 -6.284 -2.026 -4.030 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 -5.733 -5.038 -6.087 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 -6.481 -0.655 -3.354 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 2.906 -5.423 0.101 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 -26.825 11.967 -8.451 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 -5.987 -0.584 -2.750 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 10.364 2.518 -2.582 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 20.562 -2.365 17.782 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 -11.916 -2.775 -5.703 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 0.335 0.656 6.831 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 -6.982 -7.210 0.794 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 -3.004 -4.542 -1.172 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 1.240 4.191 -1.456 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 -6.428 -0.161 8.113 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 11.349 6.919 -3.381 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 0.771 1.896 -1.881 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 22.910 22.571 -2.726 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 6.548 -7.327 -1.421 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 -1.378 3.688 5.769 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 3.949 7.803 1.576 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 -0.685 20.414 8.420 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 3.380 1.448 2.464 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 0.336 -2.780 11.119 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 2.060 2.464 2.173 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 -6.055 6.627 -1.993 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 4.784 15.240 -11.615 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 -18.001 1.642 5.730 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 0.564 2.496 -2.147 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 5.953 3.503 -6.391 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 -5.807 -16.672 7.321 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 -2.644 0.277 1.743 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 -14.870 3.682 -8.345 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 5.349 -1.705 10.663 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 -2.710 -4.955 -8.204 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 24.976 -2.428 -10.336 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 10.230 17.991 20.999 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 -6.011 5.749 -0.052 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 -6.641 -3.312 -6.872 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 -4.836 -4.445 -7.876 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 3.746 -4.994 1.642 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 -10.320 -5.565 -5.400 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 6.778 -4.408 3.569 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 -6.681 -0.063 2.089 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 0.969 -21.104 1.919 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 -13.604 -2.921 -4.239 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 -2.224 5.516 3.928 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 7.595 7.021 9.940 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 1.262 6.212 -7.374 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 4.046 5.013 1.616 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 -10.950 12.940 11.462 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 1.811 9.755 -0.056 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 6.243 -4.716 5.313 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 9.559 -5.490 3.126 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 4.780 -1.802 3.275 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 -1.273 -6.047 -2.902 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 11.934 -12.715 15.405 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 16.482 3.512 -18.304 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 -3.417 6.527 0.205 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 -7.687 16.792 -7.078 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 -6.380 3.713 2.492 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 -1.006 -6.040 4.495 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 -11.597 4.292 2.169 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 1.596 -13.881 -14.038 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 5.317 -0.749 1.536 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 -4.606 13.890 1.926 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 10.528 -2.400 -15.449 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 4.979 1.430 4.965 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 -11.744 10.857 18.851 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 -2.567 -4.055 3.617 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 -2.332 -1.858 -5.802 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 -5.890 -3.385 -6.476 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 -1.598 3.754 -3.473 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 -0.496 3.788 -2.526 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 -11.536 6.302 5.844 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 -7.506 0.685 -17.457 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 1.996 4.863 6.896 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 20.634 -0.898 -3.259 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 2.372 -5.564 11.019 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 4.786 -1.728 1.946 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 -8.452 3.097 9.876 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 -1.264 0.134 -10.475 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 2.593 -5.949 -3.794 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 11.403 -22.769 5.269 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 -7.381 -7.489 -8.652 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 10.516 1.200 0.336 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 -12.302 6.602 -17.604 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 13.616 3.403 26.173 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 -4.227 0.169 0.059 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 -5.359 3.183 4.548 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 2.439 -0.254 2.489 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 6.685 -2.325 -0.044 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 12.046 8.183 -8.989 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 -2.354 -4.513 11.220 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 3.142 1.089 0.501 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 -18.129 -1.911 1.264 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 13.963 2.056 7.473 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 -1.513 5.896 -4.059 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 0.970 8.120 -5.566 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 -0.811 3.461 1.967 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 -1.720 0.571 3.115 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 1.951 -5.660 22.158 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 4.534 -3.950 12.499 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 -9.489 0.661 8.006 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 -7.184 4.966 10.275 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 -14.802 2.437 9.552 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 2.346 0.003 -2.023 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 8.162 23.158 1.944 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 -4.727 -5.885 -4.538 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 -0.885 -5.039 -0.678 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 12.544 13.237 -4.874 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 5.811 0.750 -4.782 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 2.536 -3.343 -3.013 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 4.096 12.341 -5.553 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 3.405 -8.129 12.520 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 2.331 0.038 3.063 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 22.055 -12.523 -18.975 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 -9.572 -1.290 -10.943 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 1.972 -3.451 3.126 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 14.035 -0.735 7.077 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 -17.492 -0.979 8.872 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 4.577 2.461 -6.371 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 14.468 6.665 10.584 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 5.896 -33.097 17.358 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 3.256 -2.401 -6.096 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 -18.106 9.073 -3.907 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 18.255 14.355 0.688 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 -3.539 -5.792 2.004 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 -9.964 16.106 7.332 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 -11.837 24.087 21.088 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 -4.615 2.999 2.462 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 -3.582 -9.168 -1.681 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 -4.412 6.891 3.206 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 0.668 1.837 -3.621 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 14.703 -15.334 11.673 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 19.280 -2.803 -0.909 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 3.070 4.313 7.872 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 0.403 5.739 3.417 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 -3.218 2.379 17.751 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 -2.036 7.623 -0.340 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 12.416 -5.469 19.040 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 -10.418 27.564 -17.865 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 1.868 3.994 -0.288 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 -7.800 1.446 2.764 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 4.922 -5.134 7.383 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 1.494 6.782 -2.736 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 26.623 -1.684 18.902 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 -2.094 -0.197 -15.934 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 1.536 -2.276 2.278 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 -5.738 -4.052 -0.229 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 4.829 -10.040 5.587 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 -6.814 3.020 -4.521 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 17.317 14.110 -1.862 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 0.164 -16.102 12.701 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 5.317 -1.789 -2.207 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 -12.130 -5.923 6.564 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 -3.944 -3.322 5.027 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 -2.525 2.530 0.842 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 5.339 20.288 -21.498 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 4.414 -18.358 6.962 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 7.890 -5.475 5.337 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 6.576 -0.659 3.539 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 7.702 -6.107 4.504 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 -4.360 2.195 1.957 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 3.887 -12.221 11.309 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 -19.517 -0.765 0.856 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 0.006 3.073 -1.989 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 0.668 -2.735 1.926 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 -12.592 -0.454 -6.653 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 -1.525 -2.081 0.909 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 3.050 -19.179 4.703 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 10.162 6.329 1.601 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 1.582 -1.212 0.398 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 -4.403 7.954 5.074 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 -2.429 8.074 5.275 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 0.359 2.177 -5.681 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 -11.903 -21.852 3.821 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 11.069 -6.510 3.678 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 -1.591 -0.560 0.662 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -17.767 11.910 -5.120 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 21.780 -0.124 1.012 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 -3.602 6.659 0.410 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 -10.265 19.664 4.167 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 -22.121 -25.623 -5.591 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 8.026 1.350 -1.170 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 11.109 -7.015 16.565 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 -14.416 8.744 -12.819 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 -1.753 1.058 -2.211 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 -4.069 -2.871 -34.627 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 9.469 12.148 27.156 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 3.383 3.574 -0.520 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 6.580 1.099 11.558 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 -9.644 -7.270 3.471 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 -1.929 0.933 1.437 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 -14.434 21.069 13.713 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 6.655 -16.439 21.787 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 0.410 -4.353 1.279 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 7.885 4.371 15.014 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 0.127 6.118 -7.543 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 -1.027 -0.283 4.949 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 -12.462 -7.247 21.635 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 7.279 4.863 -8.985 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 2.062 -7.025 1.172 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 5.909 -3.272 -2.662 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 3.085 6.795 -1.741 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 0.782 -2.534 0.335 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 -10.963 0.202 -22.799 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 -23.199 7.982 -15.233 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 -3.595 -2.154 8.934 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 4.307 0.035 -2.458 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 16.944 2.453 -20.094 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 4.435 -4.265 1.556 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 9.599 -6.828 -11.327 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 20.632 -9.570 -5.499 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 6.231 0.682 -6.034 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 19.477 18.453 -16.373 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 0.577 -5.127 3.271 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 7.450 0.099 3.868 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 6.689 -3.763 -3.717 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 12.657 16.655 4.462 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 4.618 -0.351 -2.109 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 2.018 -5.265 13.531 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 1.351 7.366 -15.782 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 -0.375 -2.941 5.028 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 -5.472 -1.588 4.501 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 11.539 -11.190 12.621 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 -7.968 1.537 3.173 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 13.440 8.708 6.529 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 -14.802 -21.692 15.417 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 0.697 3.125 0.718 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 -3.821 2.468 -0.673 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 2.050 -1.313 2.403 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 4.416 3.036 6.287 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 8.264 11.635 12.233 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 -0.502 6.137 -7.710 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 1.555 -1.381 -0.946 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 2.658 -2.878 -5.992 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 -10.702 -5.265 -15.512 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 0.936 -1.655 -1.691 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 -1.629 -7.693 6.773 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 10.042 15.245 -21.716 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 -1.078 -2.247 4.864 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 -18.001 5.782 -8.954 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 -8.270 4.306 6.897 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 -8.434 6.559 -1.651 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 13.240 16.673 -3.766 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 -7.363 -10.443 4.877 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 1.263 4.208 5.426 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 4.293 13.045 6.683 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 -17.392 16.816 8.172 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 1.968 0.915 -3.106 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 -4.710 -18.734 -1.288 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 -5.110 12.903 5.110 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 -5.560 7.999 1.117 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 -7.649 7.152 4.590 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 -29.577 2.041 14.983 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 -3.743 -2.487 -0.243 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 -3.701 -3.942 2.371 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 -2.357 4.270 4.641 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 3.905 -10.158 -3.820 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 -12.491 22.316 -2.997 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 -23.474 15.477 16.910 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 -3.237 1.773 1.825 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 2.596 -8.759 0.363 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 -19.823 19.513 2.377 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 0.877 -3.548 -4.211 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 1.649 -1.049 18.997 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 14.961 7.890 4.646 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 0.493 0.395 4.992 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 -27.980 -5.618 21.974 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 11.702 -8.669 -7.946 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 -4.820 1.976 -1.894 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 13.974 1.400 -28.573 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 -0.890 -2.573 -10.419 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 -2.029 9.553 6.052 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 -7.603 19.955 -1.931 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 11.779 7.478 1.679 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 -2.350 0.123 -2.354 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 -5.980 1.846 -0.501 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 -1.053 37.630 -24.586 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 1.055 -0.645 2.600 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 -28.937 5.018 9.842 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 -33.182 7.146 12.088 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 -5.812 9.380 -4.792 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 -2.113 -10.935 4.315 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 0.441 -37.191 10.393 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 -0.020 -0.764 -0.974 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 -0.033 -20.833 -9.073 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 -4.302 0.663 -2.950 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 -8.691 2.475 1.401 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 0.067 -1.673 5.234 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 -11.827 6.351 1.979 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 1.066 -0.519 -5.507 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 -14.798 8.062 3.118 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 -6.170 -19.474 -9.622 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 -1.384 -0.663 -0.471 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 1.798 -3.970 15.487 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 -2.257 -0.622 -2.106 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 5.558 2.248 -8.982 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 -0.659 -14.852 -7.513 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 22.725 2.935 -5.531 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 -4.297 4.473 2.517 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 -10.115 0.426 3.869 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 -15.782 6.689 7.831 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 -3.831 4.932 -3.364 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 9.143 -12.710 2.731 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 10.619 0.573 12.254 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 0.848 -5.045 -1.542 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 38.794 -6.691 -3.834 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 16.583 -6.144 -1.522 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 -0.052 -3.275 0.762 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 -8.872 -17.733 -0.779 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 6.619 8.501 -3.721 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 3.139 -1.780 3.246 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 -0.532 -18.497 -9.747 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 -0.042 -14.080 -8.236 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 -2.381 -1.291 1.591 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 18.050 6.653 16.539 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 -8.538 -3.285 0.608 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 6.686 7.012 1.306 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 7.267 12.416 -4.833 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 -3.125 7.339 12.194 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 -2.958 -1.149 -0.397 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 10.712 0.867 13.369 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 14.304 0.502 21.801 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 -0.121 3.534 0.266 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 -0.930 -8.517 9.530 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 -1.147 29.602 -0.701 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 1.173 0.698 -6.672 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 -5.235 -16.863 2.913 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 6.627 14.264 -15.490 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 1.000 7.587 7.297 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 -4.756 -6.175 -2.626 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 5.011 14.784 25.971 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 3.516 1.273 4.938 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 -20.984 -11.992 6.226 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 -6.774 -21.255 12.185 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 -0.696 0.640 -5.798 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 -16.883 20.234 3.211 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 -5.793 8.203 -3.959 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 -6.028 2.144 4.990 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 -0.195 -10.226 -19.404 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 -5.643 7.910 2.461 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 -2.677 2.005 0.810 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 -12.341 -0.492 15.681 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 31.429 2.145 5.206 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 -2.041 -0.313 6.392 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 8.538 9.701 17.627 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 -7.759 4.896 -1.895 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 5.426 -0.276 -0.031 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 6.157 0.680 15.185 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 5.136 -1.894 14.299 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 -3.822 7.674 -2.522 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 2.855 -34.846 -4.869 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 17.757 -3.046 -16.075 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 -0.911 2.841 0.775 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 -7.322 5.019 -5.703 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 5.958 7.500 -3.332 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 -2.658 2.542 -2.233 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 -1.148 21.400 2.483 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 -19.595 -3.006 5.852 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 -1.300 -0.078 -4.025 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 3.074 21.812 14.350 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 1.660 -19.499 -33.204 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 -4.611 1.431 -3.143 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 3.602 -18.516 -12.124 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 -17.130 0.516 -10.372 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 2.109 0.478 1.323 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 -12.476 -12.057 2.488 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 1.886 -24.062 -2.981 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 1.458 2.951 1.962 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 -3.701 -0.805 6.910 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 -21.948 7.957 -11.308 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 -0.864 -3.651 -4.088 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 -22.155 5.992 13.609 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 -12.102 -1.700 -6.938 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 5.825 1.368 -1.433 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 6.360 -4.859 0.734 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 15.027 -5.413 5.469 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 2.919 -0.869 -2.893 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 6.149 1.473 6.532 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 -9.737 -5.173 0.358 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 2.129 5.690 -0.243 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 -10.942 -26.117 2.758 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 10.309 11.926 -9.689 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 5.448 3.670 2.853 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 6.170 6.310 10.409 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 10.107 9.953 -8.435 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 6.227 3.950 -1.348 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 18.822 27.614 -1.249 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 -6.538 4.018 -20.159 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 1.135 8.044 -0.695 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 6.685 5.614 -10.778 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 0.786 8.232 0.467 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 2.279 5.104 -2.904 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 3.562 1.995 -2.280 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 2.979 -5.048 -13.938 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 3.222 -3.892 4.810 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 6.757 7.126 -8.851 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 -7.822 9.660 23.403 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 1.860 1.240 -3.486 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 20.431 -1.335 7.555 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 -12.148 -12.971 -0.522 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 -10.605 4.195 2.542 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 6.232 4.078 2.717 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 -17.963 16.418 -0.585 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 -1.541 5.525 1.819 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 -10.218 10.679 -14.012 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 -4.243 -13.793 3.138 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 -1.667 0.379 -1.072 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 -7.153 -2.164 -9.639 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 -10.859 5.797 -1.189 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 4.376 9.752 -8.616 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 -3.117 7.090 -4.522 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 -7.548 3.185 -2.988 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 2.158 -2.876 0.376 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 -5.294 -1.471 -10.993 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 -7.694 2.897 -4.947 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 -2.306 0.900 4.832 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 0.427 -0.356 10.137 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 9.368 -10.203 23.028 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 -2.054 3.960 -5.500 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 1.162 -19.284 10.764 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 17.430 21.931 20.413 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 1.909 -3.729 -1.759 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 12.679 -1.400 -3.818 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 -3.979 5.240 4.078 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 3.707 -5.202 -0.205 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 -22.407 -3.363 0.750 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 7.460 23.262 5.462 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 3.826 4.282 3.773 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 3.972 -0.453 4.290 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 0.608 -9.558 -7.377 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 -2.471 1.920 2.590 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 -23.265 23.865 -3.696 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 -8.474 11.472 2.444 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 -1.776 -1.593 6.156 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 10.575 -0.706 5.593 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 5.596 -0.348 1.547 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 -0.843 -3.972 5.904 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 -1.424 0.239 -4.882 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 37.825 2.503 9.184 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 -5.519 2.549 -3.559 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 -18.406 10.572 1.787 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 17.616 -5.553 -13.185 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 -1.616 3.690 -7.904 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 12.756 -17.095 -17.483 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 8.126 22.065 6.039 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 0.550 0.420 -1.473 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 10.618 8.523 26.384 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 -14.287 -16.183 6.015 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 1.598 1.050 -2.982 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 -0.830 2.002 -4.464 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 9.297 -2.834 -1.338 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 3.005 6.910 -0.506 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 2.220 1.987 3.323 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 2.044 2.627 3.558 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 4.669 -7.165 0.122 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 8.620 -2.490 12.302 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 2.353 -14.140 6.628 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 0.929 -1.374 -2.753 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 6.739 6.607 26.544 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 -3.886 -8.842 3.180 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 -2.231 0.029 -3.569 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 -6.989 8.111 -5.991 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 -0.152 -1.078 -3.046 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 1.197 -4.820 -1.321 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 -7.847 -11.234 -10.725 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 -17.850 -28.242 -13.723 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 5.224 5.464 -0.090 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 8.478 -2.529 -7.563 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 19.750 0.069 -4.030 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 0.240 -5.426 -2.595 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 11.807 30.202 15.962 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 0.888 -16.837 -9.936 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 -1.593 1.879 -2.731 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 -8.103 -1.560 -1.951 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 -11.687 -8.684 3.914 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 9.031 -1.485 1.142 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 -10.528 -10.229 0.681 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 6.356 5.091 4.648 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 1.250 -8.218 -4.458 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 6.531 -5.283 -8.921 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 1.661 10.759 -1.736 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 0.471 5.635 3.820 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 10.196 -6.808 24.375 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 -15.350 9.626 3.310 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 0.499 -3.483 -0.345 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 -2.641 1.146 -14.230 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 11.200 -3.746 4.635 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 -0.370 4.893 1.092 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 1.725 14.747 12.252 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 4.342 -1.088 -0.713 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 -1.214 -1.567 0.654 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 2.154 12.879 6.492 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 13.056 4.926 18.440 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 -3.077 4.604 4.307 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 16.433 9.577 0.385 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 -2.104 -17.891 -5.808 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 -3.268 3.024 -0.990 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 -8.272 -14.997 -6.318 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 2.995 -5.463 6.957 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 -4.486 0.832 -3.380 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 -16.857 4.072 -12.792 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 -6.347 -5.462 -0.702 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 -4.024 1.712 1.936 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 -9.434 -2.443 6.226 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 -6.426 9.699 3.190 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 -2.792 -1.602 -0.654 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 7.573 4.157 -3.039 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 0.012 -10.111 -3.436 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 1.752 0.378 6.082 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 0.679 -9.221 4.819 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 0.158 -0.709 4.007 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 -1.645 1.834 0.377 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 -2.473 9.011 -5.028 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 3.270 1.736 6.854 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 3.131 -1.684 -3.738 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 22.253 11.205 6.136 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 0.263 -4.015 2.646 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 3.684 0.147 -1.461 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 -4.210 10.147 4.353 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 -1.030 -2.592 -5.754 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 -0.933 1.189 -1.940 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 -10.570 9.247 10.233 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 -9.299 8.046 -13.740 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 4.162 5.208 0.459 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 19.775 -13.134 10.437 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 -30.044 12.462 -23.535 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 -5.132 -5.654 -3.914 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 -0.321 3.017 -9.442 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 -28.543 -2.775 4.317 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 1.121 -1.581 1.431 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 0.636 -29.247 21.105 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 -9.015 20.101 -13.553 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 -3.650 -6.096 2.139 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 -8.606 -3.430 13.873 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 22.685 -12.263 -7.988 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 1.014 -4.617 3.703 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 -0.285 9.039 9.686 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 -0.998 -7.079 5.345 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 1.963 8.091 -0.984 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 6.632 -26.300 -10.986 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 1.739 -6.135 -0.452 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 -3.672 -1.946 3.789 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 -7.565 4.490 2.262 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 -13.791 3.696 -1.829 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 2.310 0.851 1.122 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 4.865 -4.576 5.341 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 6.446 7.866 2.382 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 -4.891 -2.530 -2.734 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 2.264 -5.847 -6.371 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 -10.190 -8.188 6.040 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 5.567 0.579 7.523 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 5.170 -8.541 24.458 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 0.884 3.746 2.948 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 -4.375 0.895 0.157 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 -6.247 0.178 -1.444 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 -13.090 -0.649 -12.231 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 5.847 5.735 -3.300 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 4.810 29.708 -5.917 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 -9.906 -19.672 10.477 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 -2.277 4.903 -2.202 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 -10.327 13.424 -13.599 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 8.904 -19.106 -18.010 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 -0.917 -7.414 5.956 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 2.839 -9.958 6.283 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 12.988 -40.491 -33.561 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 12.847 7.153 -0.897 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 12.514 12.317 -3.629 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 3.225 -4.751 -1.580 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 -5.076 1.694 0.159 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 -16.052 -14.161 4.552 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 -2.118 -1.486 -15.694 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 2.336 -2.995 0.332 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 10.321 0.626 -1.889 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 8.184 -4.330 10.197 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 3.050 5.137 -0.570 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 4.419 -1.598 -6.240 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 4.702 -3.133 -2.382 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 1.661 4.565 1.516 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 -0.076 10.777 -11.148 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 -4.315 14.636 10.368 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 -4.328 7.010 0.401 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 23.823 2.019 -3.612 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 -12.844 -21.015 -7.978 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 0.303 4.447 -1.091 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 1.247 24.179 0.312 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 -3.673 -0.490 16.182 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 -6.017 -6.546 0.187 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 -3.507 -5.220 -9.635 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 -6.696 -16.984 0.118 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 0.521 -4.804 2.073 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 -3.743 -4.633 6.910 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 -4.237 2.972 2.576 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 1.741 -9.815 4.123 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 -0.223 2.233 14.992 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 -2.697 4.859 -2.960 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 0.167 1.764 3.291 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 -4.065 -13.441 -11.769 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 7.268 5.989 -4.030 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 7.171 -4.550 3.437 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 6.752 -2.183 3.840 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 34.685 -26.929 -5.195 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 0.805 -1.960 2.243 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 0.600 20.966 11.751 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 -0.610 -2.269 4.717 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 2.983 3.823 -0.066 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 8.366 5.916 22.120 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 23.222 -2.396 0.012 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 0.121 -4.523 1.972 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 -9.086 -3.132 -19.024 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 37.042 28.134 5.823 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 -3.065 -3.310 1.830 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 7.956 18.527 -15.862 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 -22.280 2.567 11.682 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 0.376 -2.570 -3.117 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 -3.320 -4.718 3.321 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 -12.218 1.485 3.102 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 2.928 -0.560 4.478 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 -2.934 -3.591 21.778 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 2.648 -3.809 16.763 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 1.164 3.456 -2.473 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 7.628 -4.510 4.294 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 12.855 11.898 3.840 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 -2.000 2.909 0.710 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 -1.384 -15.310 -1.909 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 -0.495 -12.705 0.688 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 -2.508 -0.293 -8.250 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 -20.413 -1.932 14.200 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 -12.592 -3.807 15.262 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 -0.869 -2.210 1.069 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 -3.176 -4.386 6.524 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 -11.445 18.871 18.399 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 -8.272 -5.421 -3.509 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 0.877 -2.079 11.619 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 -0.968 13.931 18.973 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 2.222 -0.270 -0.152 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 2.276 -1.979 -1.167 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 0.084 -16.767 -8.235 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 0.020 -0.076 6.811 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 -2.125 3.029 14.384 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 8.985 1.802 7.040 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 -6.950 3.652 -0.708 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 13.650 -10.497 14.201 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 28.692 8.776 14.430 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 5.166 1.986 -1.609 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 13.800 -7.186 -24.614 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 13.065 8.329 -10.628 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 -0.734 -2.053 -4.810 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 2.559 0.028 2.003 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 2.530 -0.105 2.141 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 -5.728 1.387 -5.142 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 -3.059 1.201 3.932 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 9.705 -13.841 2.397 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 -1.058 -0.589 3.720 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 3.256 6.033 6.369 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 -10.236 -0.541 0.101 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 5.327 -1.399 4.200 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 6.266 -11.136 -13.088 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 10.448 -6.029 -12.324 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 2.706 -0.077 3.717 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 -11.808 -41.096 6.106 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 4.266 4.113 2.058 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 -1.542 -0.620 2.994 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 2.568 24.835 3.069 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 14.511 15.080 7.176 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 2.641 2.160 -2.410 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 12.837 -3.471 -7.172 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 -10.430 8.896 7.920 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 1.925 -1.116 2.685 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 7.685 -27.693 19.637 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 0.869 27.575 5.449 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 0.261 -1.943 8.504 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 -2.494 -4.957 -1.652 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 4.252 -1.406 23.060 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 2.171 -5.362 -6.112 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 5.881 -26.857 -7.597 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 10.062 -16.329 -9.095 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 1.632 3.837 -1.291 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 -3.095 12.236 -0.255 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 6.360 -7.520 4.267 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 2.823 -3.077 2.376 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 -6.505 7.227 -1.554 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 -7.828 0.898 23.903 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 -2.798 -11.895 0.034 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 -6.853 -22.161 -14.706 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 -16.446 6.126 30.473 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 -3.335 1.094 -0.630 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 0.073 -8.106 7.917 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 -14.081 -9.847 16.381 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 1.830 1.590 1.414 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 3.057 -2.336 3.425 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 -1.752 7.327 -2.465 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 3.249 -11.694 2.397 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 -7.371 -20.253 9.671 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 5.116 -8.535 1.561 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 -5.510 6.512 -3.567 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 -16.730 6.936 6.209 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 14.036 1.815 -24.422 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 2.330 -1.520 5.935 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 -4.679 -12.218 16.878 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 -9.984 -6.950 16.198 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 11.228 -1.345 -0.075 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 -8.113 9.368 -11.927 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 -21.865 13.025 -14.792 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 -2.251 0.285 -5.762 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 -11.260 0.693 0.860 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 -4.761 -12.459 -5.180 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 -4.306 -8.070 -8.294 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 -7.512 19.732 -30.366 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 -7.007 -22.170 10.462 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 -0.953 3.247 2.082 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 7.934 10.213 11.335 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 5.976 -6.884 11.255 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 -2.918 5.228 1.809 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 -8.817 11.138 -22.467 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 -14.282 -13.094 8.012 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 0.676 6.499 -0.635 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 -23.503 8.859 -5.063 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 6.914 -17.493 -4.963 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 4.466 3.413 1.625 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 -9.292 11.002 12.192 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 -9.682 6.813 -10.706 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 -7.736 4.171 -0.515 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 6.259 -0.242 15.045 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 6.909 -11.341 -5.505 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 -4.521 -2.999 8.950 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 -5.559 -7.254 7.378 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 -17.361 4.074 -2.983 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 -1.095 -4.659 -4.014 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 -1.139 7.759 -2.557 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 -9.915 -8.694 5.240 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 2.622 -1.210 -10.810 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 -12.958 18.883 -18.088 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 -14.477 11.526 24.666 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 -3.405 6.580 -4.154 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 -28.334 11.350 -11.890 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 -14.886 -21.080 -1.457 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 -5.621 -3.445 0.190 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 7.076 -34.946 11.172 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 -1.808 -10.023 3.681 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 -3.732 2.744 2.092 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 2.360 -21.755 -3.111 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 -5.196 16.384 -20.190 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 -1.855 3.952 -1.192 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 -11.277 -3.453 0.939 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 30.493 -12.267 -13.628 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 2.251 1.113 -0.653 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 -11.297 0.671 -15.163 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 11.151 1.176 8.443 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 4.909 -0.379 2.505 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 0.616 7.171 0.997 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 1.703 -6.552 -1.128 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 -9.637 2.577 -0.708 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 -4.340 15.767 9.161 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 -16.234 29.044 3.450 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 1.148 -4.590 3.197 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 -15.087 -3.755 8.749 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 -11.990 -18.385 -9.428 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 4.438 -1.007 -1.672 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 11.084 10.478 -4.105 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 -4.490 -9.858 0.123 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 -0.137 2.668 -4.844 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 1.893 6.422 -0.588 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 1.270 7.507 -6.217 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 -4.604 2.357 3.978 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 -17.898 22.508 7.658 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 19.922 5.856 12.674 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 0.782 2.202 3.771 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 13.186 -13.966 15.826 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 3.820 4.746 1.921 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 -3.657 9.468 1.701 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 -10.907 3.535 8.098 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 -20.638 12.114 -12.119 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 5.130 -4.030 -6.364 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 6.563 2.912 -1.096 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 3.367 -13.449 5.663 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 -3.236 10.735 5.406 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 -13.567 10.468 6.686 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 2.787 -1.342 1.241 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 -1.332 -4.651 6.264 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 2.817 -3.091 -14.501 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 4.620 -29.144 12.857 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 -1.835 -1.328 -5.483 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 9.986 -13.575 -16.492 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 5.777 0.714 8.835 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 -1.413 1.727 5.820 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 -9.726 37.656 -10.297 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 -6.931 -2.192 15.819 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 2.897 11.033 0.998 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 -7.867 8.826 1.181 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 -3.610 4.226 -0.697 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 1.370 -0.678 -2.763 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 -5.837 -11.852 -12.302 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 9.202 0.153 2.261 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 2.853 0.804 5.031 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 -2.118 -2.674 -5.473 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 -4.192 4.471 11.451 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 6.075 2.780 7.083 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 5.354 2.466 6.864 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 -3.739 -16.800 10.517 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 -5.494 -6.072 -2.875 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 6.628 4.357 2.423 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 3.439 8.205 3.432 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 3.137 -0.690 3.563 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 -6.538 13.994 -1.166 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 2.994 2.348 7.080 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 2.205 -5.010 -3.079 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 -3.712 0.762 -13.484 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 8.396 -1.919 -9.886 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 1.494 1.077 -1.972 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 -14.827 -0.796 0.825 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 -0.390 1.470 -1.147 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 2.811 -0.630 -6.407 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 14.251 -6.416 -2.574 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 11.520 -8.639 5.227 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 -9.636 -3.874 -3.281 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 -20.828 -13.823 -6.958 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 3.620 -12.495 -6.859 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 5.904 -0.683 1.009 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 -0.915 -1.013 -29.161 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 12.909 -3.638 -13.364 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 -3.187 4.045 -2.100 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 -12.429 2.317 -4.403 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 22.411 -8.541 18.180 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 7.868 0.549 -1.246 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 10.127 -18.634 12.199 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 14.350 9.127 -13.623 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 1.095 0.649 -7.113 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 1.552 -5.863 -6.671 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 -2.365 -17.326 14.078 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 0.110 2.468 -9.890 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 -16.160 1.994 9.559 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 10.113 7.150 -0.730 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 1.707 6.862 3.836 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 13.079 11.444 15.286 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 16.078 25.545 20.280 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 5.779 -2.660 2.219 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 2.932 -7.713 4.170 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 -1.476 1.950 10.492 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 2.247 -4.931 -0.154 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 -2.849 9.665 -2.832 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 -0.366 -4.912 20.786 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 6.997 -2.373 3.909 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 -5.146 -14.507 4.719 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 1.860 10.070 5.142 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 -2.142 4.038 11.847 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 6.681 -2.040 12.107 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 -6.593 -2.791 10.898 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 -8.509 -0.836 0.135 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 2.304 -6.254 8.027 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 10.927 -10.466 15.251 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 4.029 8.539 4.636 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 14.539 -12.942 -7.214 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 4.892 10.012 -4.194 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 1.799 -0.267 3.596 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 12.749 -6.933 15.295 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 3.941 -5.707 8.085 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 0.242 -3.848 0.115 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 -1.696 4.427 7.438 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 -2.041 3.078 4.039 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 -9.024 1.797 -2.581 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 -9.480 -5.731 -3.587 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 -0.187 7.344 -1.562 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 4.513 -4.067 -3.300 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 6.333 -14.882 -22.330 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 6.017 -14.765 -10.266 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 4.316 4.694 -7.151 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 0.325 5.493 -8.630 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 5.631 19.031 -5.287 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 -0.179 -2.016 1.969 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 4.970 -11.549 8.873 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 -10.634 -19.618 -18.269 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 -8.891 2.681 -3.006 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 -6.553 3.639 -14.359 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 -17.213 3.566 -6.958 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 -2.465 -0.808 2.400 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 10.895 -13.599 2.703 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 19.631 -0.990 8.552 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 0.557 -2.655 -1.483 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 4.874 -11.854 6.355 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 -2.941 -5.897 26.576 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 6.997 1.529 -7.046 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 6.805 -3.515 -4.556 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 5.375 -34.072 13.454 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 0.579 -5.590 5.035 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 -4.657 -9.488 -0.507 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 -1.610 0.171 6.857 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 -0.951 -3.944 0.369 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 -17.991 10.668 -20.769 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 -5.498 -2.627 -12.610 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 -0.134 7.068 -3.395 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 1.014 -19.054 22.079 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 -0.686 1.433 6.090 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 7.001 -2.108 5.242 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 -5.735 -23.841 -3.807 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 22.996 -22.724 -15.660 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 -1.655 10.154 -4.918 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 -3.578 10.139 -0.824 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 0.888 30.309 -1.893 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 11.759 3.864 8.899 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 24.708 5.365 16.583 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 -11.132 -1.302 12.006 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 -2.173 -0.999 -2.415 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 5.851 26.623 1.410 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 0.725 15.333 -5.573 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 2.804 -1.028 3.300 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 13.137 2.655 5.217 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 -0.558 2.666 -6.137 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 0.653 3.437 -0.679 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 -0.100 13.883 10.815 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 -12.454 -5.658 -6.239 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 -9.538 7.650 -1.245 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 1.723 2.891 -11.690 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 40.370 -9.887 -4.462 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 -0.966 -0.608 -13.195 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 0.994 14.038 -13.753 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 16.244 4.070 -54.856 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 0.072 -0.069 2.589 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 4.808 19.457 -6.069 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 -0.152 -1.551 3.029 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 -2.762 -7.198 -2.816 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 -14.968 -5.502 -14.325 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 -5.171 5.360 -9.964 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 -5.607 -2.023 0.769 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 12.125 -24.892 -10.030 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 8.325 19.746 -10.784 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 3.396 -5.853 4.547 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 12.549 -15.734 16.690 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 6.192 4.383 5.045 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 -3.021 -3.850 -6.214 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 8.187 20.245 0.575 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 11.843 16.353 -23.058 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 2.313 5.497 3.403 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 -5.798 -21.372 23.531 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 -11.997 2.500 -6.936 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 -3.094 -1.811 3.667 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 -21.789 -11.840 -14.831 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 -6.447 10.603 -4.528 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 -1.234 -0.220 -0.468 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 11.729 -8.812 -3.947 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 -4.349 -17.569 0.145 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 0.242 -5.155 -1.775 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 3.453 -9.279 4.593 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 10.715 -18.630 -4.716 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 6.247 1.572 0.302 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 1.469 -2.934 -3.510 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 11.526 6.118 3.296 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 1.553 0.915 -2.864 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 -0.620 -5.412 -24.247 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 3.427 7.852 17.934 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 -2.630 2.913 -3.752 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 -5.118 7.461 6.715 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 11.085 22.320 -6.213 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 -4.430 4.760 3.472 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 -3.883 -5.839 11.009 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 -9.183 -3.176 -0.068 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 -0.792 -2.981 5.597 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 -0.008 -12.076 -19.426 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 -27.549 -1.243 9.507 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 -6.049 1.532 0.764 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 -0.894 5.545 7.187 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 -1.957 -6.203 -1.734 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 -0.947 0.541 -0.104 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 4.372 -9.228 -1.429 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 -3.339 -1.800 -2.753 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 -5.369 -8.420 1.692 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 9.918 -17.304 -24.123 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 -14.582 -2.898 17.080 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 -0.594 1.525 -5.330 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 -18.642 23.134 -24.330 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 0.982 24.343 -7.408 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 6.724 6.163 4.232 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 -8.625 8.339 7.480 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 15.239 4.575 12.018 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 0.303 1.135 -1.791 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 -16.858 -2.246 3.404 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 8.364 24.044 -24.427 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 0.996 -0.741 -2.572 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 2.364 0.816 -15.434 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 6.028 6.812 2.645 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 6.509 2.762 5.818 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 11.549 18.286 0.744 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 -2.948 2.924 13.431 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 -2.519 -4.732 8.294 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 -6.791 13.532 1.771 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 10.963 -7.949 16.755 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 -2.504 -0.848 -0.579 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 -36.905 -4.239 17.900 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 0.555 -5.122 -0.911 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 -1.067 -3.184 -0.819 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 -1.098 2.570 -5.071 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 -0.957 8.405 -20.698 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 4.732 0.534 0.215 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 4.054 13.958 9.058 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 13.780 -30.408 -17.700 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 -3.796 -5.964 -0.172 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 7.949 3.223 -0.751 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 -5.368 14.369 8.409 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 -2.262 -5.004 -6.759 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 0.849 11.489 -27.558 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 -34.013 -11.642 17.294 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 -5.075 8.418 -0.295 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 14.177 7.179 -9.359 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 -4.907 -16.009 -3.989 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 2.063 -4.566 0.251 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 -6.674 -13.311 -13.570 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 -4.290 -18.628 4.689 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 -6.811 -4.753 3.039 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 -16.431 3.579 -13.739 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 2.926 -2.518 -14.558 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 -4.602 7.183 -0.675 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 17.237 4.095 4.897 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 -10.237 -5.209 -5.233 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 6.613 -0.773 -3.220 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 -12.614 24.632 4.944 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 -2.851 -26.115 14.073 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 -0.919 -4.309 0.210 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 -30.505 -8.678 -16.788 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 39.533 -10.004 18.981 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 3.858 4.185 2.562 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 10.095 17.498 -4.907 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 -5.308 -4.350 2.579 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 -2.471 0.930 1.058 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 -4.612 1.118 -7.216 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 -2.733 0.964 3.817 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 -4.022 2.888 -1.232 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 14.312 0.412 -0.598 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 -22.642 -26.957 -10.282 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 -1.665 2.105 -3.850 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 -0.312 -1.506 -6.768 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 1.865 11.807 -26.370 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 -0.632 -2.756 2.426 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 -17.447 -13.280 -14.671 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 -8.390 12.933 -13.233 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 1.959 1.079 6.007 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 4.349 0.670 -28.145 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 3.357 0.837 -19.244 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 -1.320 -2.940 3.921 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 -19.144 -16.582 -2.370 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 -1.782 15.809 -5.010 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 -4.102 1.141 -3.534 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 -9.414 -8.619 -9.908 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 6.153 -1.493 2.474 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 5.505 -10.744 2.425 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 -0.933 -9.522 6.515 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 7.143 -20.624 -17.146 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 -1.840 -6.686 -0.107 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 27.875 1.483 34.425 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 2.085 15.457 -15.762 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 2.185 -4.394 2.390 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 0.572 -13.327 -5.376 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 -10.374 -0.501 0.917 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 -1.024 3.588 -3.784 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 -5.234 10.291 6.579 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 0.064 -0.356 -13.259 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 1.353 0.914 -0.717 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 -7.075 -4.454 -2.855 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 3.674 2.055 -0.367 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 -5.981 10.751 3.562 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 0.624 13.952 -13.350 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 -10.182 19.533 -1.080 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 7.869 -6.784 1.004 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 38.071 6.108 -0.548 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 4.695 8.097 19.921 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 -0.580 -2.812 0.549 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 1.983 -10.335 -9.143 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 -4.308 2.913 -12.863 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 0.614 0.003 0.873 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 7.678 -12.717 -7.398 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 -12.291 11.696 0.370 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 -1.705 7.099 1.339 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 -7.678 -2.992 2.850 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 -2.072 10.011 -3.401 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 -5.373 -1.422 -3.703 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 -10.623 8.472 7.938 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 6.628 29.087 5.909 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 -5.813 -2.072 4.500 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 1.047 -2.018 13.829 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 -9.924 -7.648 4.525 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 -2.010 1.974 -1.057 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 15.164 1.885 1.653 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 -38.029 6.493 -9.486 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 -0.051 -5.834 2.663 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 -14.448 25.062 -12.669 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 9.953 -27.965 21.960 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 -1.771 3.300 -3.161 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 -18.305 -21.253 43.052 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 -21.009 -19.142 -1.148 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 -1.566 -1.617 -2.713 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 2.254 12.824 5.104 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 7.191 1.103 -8.296 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 -1.241 0.133 1.692 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 29.941 1.091 7.754 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 12.445 3.318 -21.683 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 -2.989 6.046 6.427 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 -2.107 33.524 -3.954 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 -1.877 -2.337 9.311 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 -2.215 -0.246 -3.328 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 5.371 4.327 3.685 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 -10.990 6.013 8.269 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 0.656 2.760 -1.500 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 -2.227 9.513 30.326 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 19.202 4.769 -1.991 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 0.482 6.486 -0.032 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 9.575 21.411 7.793 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 1.336 8.920 0.712 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 5.457 0.318 4.917 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 5.643 -29.514 -27.900 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 5.113 -26.814 -21.723 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 -0.717 3.633 -2.916 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 4.005 9.605 -11.550 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 -9.845 -7.042 -7.343 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 0.685 -2.035 4.059 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 18.440 2.479 9.946 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 8.775 8.810 3.256 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 -9.469 -1.157 -3.830 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 6.138 13.990 5.443 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 9.907 -19.090 4.538 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 1.688 -1.170 -5.364 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 11.643 -5.516 -8.925 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 -22.057 23.683 -0.615 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 3.547 0.726 1.542 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 12.195 -0.067 1.861 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 -8.312 1.649 3.314 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 -1.369 0.123 -4.901 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 -23.543 -2.632 12.552 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 -1.371 -5.302 -29.881 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 -4.908 2.777 3.265 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 -8.732 2.840 -0.269 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 -0.968 1.625 -2.457 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 -7.253 6.718 2.390 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 14.781 4.300 1.857 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 5.360 13.008 5.122 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 0.040 5.886 0.431 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 9.738 -5.362 4.343 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 2.271 19.744 7.623 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 5.558 -4.868 0.108 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 -17.074 -2.418 -5.003 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 9.085 10.792 15.890 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 -1.863 -0.828 -2.521 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 15.761 4.662 8.017 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 -19.504 -6.844 8.304 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 -0.026 -3.161 1.107 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 -10.514 -4.275 1.361 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 3.095 -5.501 -17.561 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 1.717 -1.398 1.610 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 -8.848 -3.075 15.117 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 25.371 6.712 2.858 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 2.868 2.792 -0.982 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 -9.744 2.178 -21.645 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 -7.835 -13.075 14.295 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 7.380 -4.183 -0.224 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 -2.020 -4.035 21.212 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 16.298 -10.231 -8.165 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 1.234 3.859 3.880 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 -15.838 22.890 -0.032 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 11.687 -12.055 -5.762 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 1.356 -3.144 3.053 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 -8.428 1.407 2.755 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 8.327 -0.831 12.309 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 -3.192 4.061 1.414 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 -6.679 9.519 -7.299 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 -17.707 2.005 8.908 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 -5.849 -3.359 -2.618 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 -13.700 11.579 -2.344 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 14.987 -6.928 -0.804 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 -2.973 5.584 -3.639 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 -4.116 -15.503 2.913 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 11.873 -11.172 -1.040 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 6.490 3.665 0.054 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 7.642 7.047 -10.680 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 14.262 -3.969 1.711 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 -4.534 -3.466 3.405 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 6.691 -8.887 7.530 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 -6.980 -12.045 -2.154 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 -2.594 6.641 0.586 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 6.144 12.314 -1.357 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 -2.759 4.711 10.509 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 9.360 -3.493 -5.508 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 6.593 -1.034 -5.844 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 5.357 -0.705 -7.347 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 -4.467 -3.132 0.952 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 -6.183 -4.596 -15.258 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 -14.922 1.714 12.855 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 1.713 -4.194 5.005 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 -7.974 7.269 1.532 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 9.339 21.656 -2.934 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 8.418 1.626 3.833 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 16.296 -2.963 1.654 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 2.618 -5.632 3.696 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 3.280 -6.382 7.377 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 -21.404 11.273 -18.720 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 -10.190 -7.902 19.871 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 -5.279 -3.483 3.865 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 -1.162 11.514 3.817 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 -17.953 -5.143 10.985 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 2.161 -3.050 -0.497 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 -26.142 1.525 1.080 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 24.690 -8.429 -2.353 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 2.035 -4.065 -5.285 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 3.358 7.188 4.280 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 -12.889 18.284 10.018 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 -4.887 1.112 1.835 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 2.363 -6.768 13.852 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 -1.123 -21.792 10.178 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 -2.752 -3.090 1.862 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 1.809 -17.367 -5.121 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 17.450 -0.952 23.927 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 1.243 -9.845 2.764 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 16.440 -1.333 0.544 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 -0.437 -0.354 1.926 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 1.354 -0.605 5.949 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 -19.513 29.068 28.848 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 -29.117 -14.638 16.333 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 -3.546 -3.497 -2.967 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 -27.622 30.123 16.698 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 0.842 -13.248 -0.012 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 -0.171 2.313 -2.788 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 11.447 0.314 2.822 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 -21.733 6.033 -15.955 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 4.726 0.085 2.063 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 -29.929 -0.403 -10.031 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 -19.876 7.094 -15.156 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 -3.639 -1.921 6.200 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 17.997 -2.821 -16.075 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 -1.030 -2.245 2.942 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 -3.248 -0.483 0.225 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 -10.298 -15.215 5.104 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 5.179 4.089 4.242 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 -0.105 -4.530 1.812 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 -3.237 -3.641 -14.701 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 1.329 -8.969 13.346 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 0.869 7.205 2.564 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 -0.932 26.606 -12.624 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 -2.577 5.238 -0.559 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 4.833 1.019 1.850 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 6.169 -1.041 2.966 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 -13.629 35.493 -21.110 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 2.966 0.659 4.042 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 -9.569 -7.534 9.805 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 -7.503 -22.598 1.710 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 2.218 -1.344 8.639 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 13.817 -10.938 5.873 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 -28.063 17.609 0.792 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 2.502 0.169 0.065 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 6.162 -10.925 -10.286 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 -17.046 3.179 9.097 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 -0.770 6.539 -0.603 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 2.680 17.222 2.665 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 -16.222 0.281 7.768 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 4.951 -0.313 -3.573 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 7.156 3.493 1.941 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 8.603 1.573 -0.704 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 -3.798 7.300 -3.979 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 -3.495 -11.079 -9.287 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 -21.889 14.486 -4.669 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 -0.533 3.236 2.376 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 7.253 2.874 12.434 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 -14.111 -7.488 -11.303 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 -1.004 7.908 -0.523 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 -7.388 -9.345 15.601 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 2.792 0.011 -1.443 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 0.955 1.436 2.323 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 -9.222 -0.843 15.880 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 -5.446 11.432 -9.186 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 -4.514 4.031 -4.710 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 -5.990 16.346 -11.724 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 -5.700 14.609 -10.763 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 -1.995 3.439 0.680 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 0.776 18.490 -25.140 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 19.459 1.077 -1.056 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 2.616 2.176 -1.721 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 7.763 -3.838 -9.510 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 -1.351 10.000 -6.107 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 0.862 -6.780 1.359 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 -1.711 -8.310 -0.755 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 -7.576 -6.288 -6.485 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 -6.420 -2.905 4.280 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 -7.732 7.665 4.226 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 -4.166 -6.393 -8.896 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 -4.161 -0.583 5.190 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 8.919 -9.416 -14.474 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 -13.803 9.186 5.666 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 3.090 -1.438 0.174 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 -8.174 1.734 5.612 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 23.847 6.211 -3.323 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 -2.902 4.674 -6.145 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 -16.810 9.255 -10.075 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 -8.215 18.571 -16.511 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 5.512 -2.127 7.026 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 -4.457 11.700 17.128 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 15.408 -15.914 -4.625 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 -4.155 -9.721 -0.452 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 -3.428 -9.660 0.049 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 9.013 -25.886 -5.276 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 0.004 -2.599 -0.755 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 -1.882 -4.733 -10.272 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 11.871 -10.859 3.266 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 -0.786 -1.125 -1.805 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 22.502 -4.517 4.679 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 -4.262 -16.530 4.181 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 -1.264 2.015 -3.978 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 -0.501 -12.124 4.516 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 -1.484 -1.650 -1.551 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 -6.670 2.354 -6.789 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 8.174 7.275 -4.048 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 8.416 -12.924 -10.837 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 -0.988 9.814 5.911 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 3.965 10.416 -3.369 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 7.781 -25.825 1.257 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 -8.108 -1.395 -2.953 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 -10.976 13.210 -16.058 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 -19.766 -5.349 -9.449 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 -3.653 -11.030 -1.159 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 23.254 0.103 7.522 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 -6.102 15.854 -13.009 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 1.639 0.071 0.781 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 -7.874 12.845 2.409 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 11.578 -22.866 -1.432 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 2.756 1.699 0.105 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 1.710 5.278 -6.221 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 -0.485 -15.958 2.642 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 1.423 8.070 0.167 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 -13.676 -3.458 -13.625 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 6.367 9.952 -2.021 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 -1.261 3.961 -11.762 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 -6.996 -0.807 -9.632 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 -6.908 -2.281 -11.980 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 0.745 3.883 -0.780 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 13.644 -2.792 -7.359 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 45.333 -18.275 -23.280 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 3.447 -1.128 -6.541 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 -7.661 -5.543 -28.690 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 4.144 -1.117 -4.177 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 -1.318 -1.493 1.433 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 -22.170 -10.948 -14.740 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 -20.469 12.409 -5.848 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 0.505 2.868 -1.647 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 6.223 -12.088 2.606 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 9.901 1.914 18.240 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 -1.166 -1.817 -4.415 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 4.809 6.437 -2.215 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 1.589 -27.222 2.959 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 5.879 3.256 -2.157 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 7.507 -12.704 20.518 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 14.951 -12.120 -22.959 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 1.491 4.164 -8.982 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 5.218 7.854 0.809 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 11.169 8.131 8.821 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 0.190 1.736 2.634 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 5.881 3.521 23.725 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 4.162 3.210 25.746 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 6.942 1.411 0.272 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 -12.984 -11.429 -1.066 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 5.727 16.748 -18.874 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 -4.183 3.608 1.566 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 23.586 -14.490 -2.340 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 -31.829 5.175 2.006 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 -2.020 -2.162 1.136 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 5.101 -17.256 -2.348 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 -4.213 3.505 -6.842 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 2.822 2.817 5.272 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 6.099 8.297 7.718 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 -1.379 1.421 9.768 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 7.846 -3.884 2.746 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 10.168 9.148 14.112 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 8.296 7.427 16.933 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 -1.247 3.446 -1.625 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 1.016 -2.445 -5.003 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 1.513 7.000 -5.308 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 -4.914 3.560 -2.589 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 -1.099 -0.449 1.477 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 -18.349 -17.410 -26.847 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 -1.750 6.358 5.940 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 -5.978 -14.931 5.633 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 11.564 33.025 -3.245 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 1.862 1.269 0.786 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 -7.293 4.013 8.992 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 4.392 1.541 -0.410 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 2.135 6.473 -1.669 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 -2.042 -3.877 6.792 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 -16.356 -2.347 -28.652 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 0.741 1.950 -0.658 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 9.457 10.304 -23.968 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 12.372 7.123 -5.125 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 -1.914 -0.332 -0.448 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 -4.097 -4.014 -10.074 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 -6.597 -11.345 7.903 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 -0.803 4.409 -0.110 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 -6.790 6.002 0.041 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 3.531 1.663 -6.340 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 1.286 -4.170 0.272 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 -7.159 -19.868 -8.543 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 18.803 -14.150 -10.350 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 1.264 -2.582 -0.461 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 -3.059 -26.566 3.169 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 -15.113 6.510 -14.380 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 -0.894 -0.094 -2.066 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 0.111 -2.623 -3.547 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 -6.748 4.314 5.136 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 1.171 2.353 0.546 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 -2.850 -24.347 5.347 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 -12.564 10.137 -17.494 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 -6.532 -3.887 -8.013 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 -6.285 -3.903 -4.996 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 -9.573 -0.806 20.581 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 2.409 7.659 0.253 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 10.220 22.712 -2.302 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 -6.379 11.783 12.376 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 2.188 4.942 3.255 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 -17.897 27.391 1.301 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 23.912 -1.889 25.570 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 3.735 -1.883 5.301 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 -3.411 1.260 9.332 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 -16.515 9.017 10.390 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 7.795 5.319 -3.653 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 -13.172 7.728 -0.750 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 -13.029 5.463 10.441 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 4.255 -1.541 -7.011 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 15.803 -6.505 17.757 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 7.374 -2.741 -3.023 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 1.129 -1.846 0.312 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 7.276 6.218 -11.584 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 -10.457 7.180 7.586 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 0.605 0.049 -2.935 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 13.000 -2.298 -3.189 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 -0.167 12.353 -11.643 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 3.359 -0.105 5.700 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 -20.407 17.676 8.342 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 24.998 10.579 -11.471 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 -3.823 -3.690 -4.276 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 -3.713 -9.299 -0.619 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 15.824 -3.360 -19.620 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 -1.362 -0.057 -0.875 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 -2.970 2.155 -6.971 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 -13.010 21.280 -2.211 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 -8.197 -6.115 2.015 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 -14.203 -1.426 18.714 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 -4.624 -4.310 2.771 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 0.838 -2.365 2.074 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 5.336 -10.241 1.159 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 4.812 -8.412 0.199 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 1.926 -3.315 -4.104 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 9.444 -6.170 4.167 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 6.289 -7.099 -10.373 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 -0.350 -2.300 -1.291 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 -13.234 13.446 -7.992 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 5.007 -5.633 -0.179 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 0.535 2.577 1.909 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 2.138 4.698 -5.854 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 -5.588 2.891 -2.178 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 0.454 1.739 -2.705 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 -4.963 -0.034 -4.471 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 25.419 -11.079 8.636 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 5.865 -5.248 -0.870 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 8.401 -24.387 -33.851 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 -20.147 11.828 -12.490 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 -0.664 -0.725 2.274 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 0.824 -6.801 -10.096 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 -12.154 6.902 1.090 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 -1.376 2.472 -1.013 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 -19.267 21.155 1.675 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 -7.565 -11.769 -3.782 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 1.467 -0.462 1.455 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 6.171 -18.071 -24.042 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 8.257 -16.676 -9.544 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 2.398 -3.121 3.316 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 4.804 -5.844 -0.784 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 -3.171 -11.428 20.633 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 -0.761 3.754 -4.764 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 -6.301 9.169 9.571 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 11.041 -0.618 -3.727 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 -3.308 -5.513 -4.986 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 -34.740 4.053 2.212 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 11.346 -10.892 -8.642 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 2.948 4.546 6.921 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 -16.412 3.494 -3.262 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 13.442 -9.898 4.576 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 -3.456 -0.505 3.290 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 -6.732 15.332 2.802 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 18.894 -9.237 7.322 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 -4.067 -2.848 -2.050 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 8.760 -17.508 -15.812 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 9.780 26.137 24.724 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 1.926 1.992 7.382 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 -13.210 8.654 -1.996 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 -9.572 -9.041 1.931 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 -9.927 0.307 -0.232 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 -20.946 -19.012 19.219 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 -1.531 -6.434 -12.494 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 -4.067 0.108 -1.199 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 -10.217 12.353 1.315 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 -6.156 -1.162 -0.828 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 -0.986 0.907 0.051 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 27.233 -14.090 -25.345 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 -2.094 0.083 4.163 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 -1.542 9.530 1.249 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 -3.073 -0.513 6.327 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 -2.677 -4.454 14.790 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 -1.624 -6.771 -2.308 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 -11.682 10.795 12.529 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 -7.037 -1.058 -0.363 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 -0.692 -4.866 -5.910 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 3.830 -12.807 -6.764 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 -20.467 20.521 2.150 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 -2.004 -1.884 2.885 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 -21.962 -17.808 28.548 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 6.804 37.308 14.803 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 -4.768 3.170 0.489 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 -12.300 -14.189 -5.426 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 2.447 11.303 3.723 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 1.228 -0.126 -2.849 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 -5.940 -9.860 -5.436 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 -1.903 -10.179 7.419 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 -0.801 -3.884 -5.996 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 -2.226 -21.611 -4.976 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 18.280 -2.663 -18.893 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 6.674 3.064 0.597 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 -2.001 9.787 -1.428 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 2.899 11.020 -4.839 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 -0.832 -1.470 1.811 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 8.608 5.790 -7.115 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 -7.295 -2.075 -2.346 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 -3.409 3.347 -8.529 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 -23.417 0.387 5.749 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 3.340 -4.560 -14.475 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 6.757 -6.592 -3.191 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 -3.386 5.548 -1.622 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 14.948 52.915 3.624 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 -9.238 5.541 2.212 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 -5.758 -6.717 0.687 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 -18.977 13.193 12.085 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 0.062 -7.252 -0.958 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 -1.535 -9.213 -2.243 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 1.525 -10.553 0.177 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 2.844 -3.463 7.963 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 -7.661 -2.791 18.925 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 15.847 21.063 14.004 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 -0.452 -4.951 -4.739 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 -0.457 -0.502 -0.464 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 3.763 -11.508 -24.578 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 4.669 1.627 5.938 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 7.727 0.787 11.160 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 -24.203 -1.634 -3.238 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 -7.405 4.593 -0.219 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 -22.586 6.708 -1.390 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 4.706 -1.450 -2.086 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 -1.394 1.246 -0.132 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 -0.056 -15.737 -8.762 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 13.866 10.348 -13.760 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 3.340 -4.339 -0.437 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 1.070 -1.018 -23.011 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 7.761 -14.255 -7.300 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 -2.828 4.101 -4.413 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 -16.919 -3.069 7.831 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 10.480 8.853 9.491 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 -4.292 1.791 0.693 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 -19.944 -3.683 6.076 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 1.242 -1.086 5.304 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 1.121 -3.707 9.749 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 -0.900 -17.632 9.054 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 -2.167 -2.339 21.839 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 3.174 1.218 -3.032 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 0.406 -16.705 0.872 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 18.151 4.916 -2.874 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 -2.667 3.652 0.636 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 -8.672 10.345 7.107 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 6.571 8.145 9.492 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 -3.370 -3.701 -2.711 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 -6.571 3.919 -0.162 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 -5.275 11.246 -0.229 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 0.913 -1.197 5.724 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 -4.817 -2.354 18.284 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 2.771 -4.306 10.667 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 -0.672 -2.007 -1.628 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 -4.917 -3.847 0.496 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 -1.721 -2.461 -2.288 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 0.175 0.591 1.015 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 -8.420 0.213 -2.869 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 0.827 0.849 0.068 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 -0.812 -11.644 2.169 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 -14.896 6.305 2.197 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 17.093 -1.292 -1.820 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 -1.231 -1.873 2.463 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 -6.040 -14.930 5.062 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 0.275 -7.814 -7.495 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 -4.321 3.259 -5.125 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 26.911 1.291 16.225 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 -17.147 6.809 -9.122 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 -3.533 2.736 2.331 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 -13.608 15.981 11.542 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 -7.894 -7.835 -1.975 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 -5.232 2.738 1.751 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 -14.055 -5.343 -0.153 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 -17.470 -2.370 9.840 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 5.401 -10.176 -5.589 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 1.045 -6.149 -10.140 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 6.780 -28.981 8.214 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 -4.539 -4.652 2.128 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 7.920 7.261 -8.936 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 -5.320 3.229 19.402 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 -2.263 -3.208 -0.156 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 3.591 -5.476 -23.834 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 1.374 15.327 -0.116 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 0.662 -5.742 -3.530 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 4.831 -25.443 -7.719 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 -6.382 26.718 1.385 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 1.354 -4.760 -0.766 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 0.815 2.447 -2.501 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 -4.108 5.359 -3.950 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 -5.091 2.490 -2.382 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 16.036 4.489 1.730 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 13.162 5.132 1.855 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 5.054 2.583 3.880 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 5.586 -12.461 12.830 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 -7.506 14.927 1.583 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 -1.507 -10.372 1.240 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 24.702 2.179 8.625 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 22.069 6.362 -0.942 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 0.491 2.410 -3.684 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 2.535 1.410 7.103 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 4.188 -7.312 2.586 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 0.757 -0.132 2.733 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 -3.112 -0.297 7.976 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 1.881 4.081 10.449 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 1.120 2.703 -2.510 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 -9.060 -6.486 -30.288 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 -25.009 6.471 11.315 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 -3.773 -4.127 4.524 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 -14.032 0.361 14.372 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 -0.627 6.618 0.850 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 -7.127 4.751 -0.534 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 -19.161 -3.163 -7.936 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 -17.104 4.839 12.190 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 -5.726 9.303 2.243 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 7.417 21.620 5.354 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 -0.087 1.981 6.069 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 -3.487 -0.220 3.787 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 -5.907 -7.979 -6.035 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 6.250 17.321 15.647 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 5.005 1.668 -6.494 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 16.940 4.963 -4.190 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 -11.717 -4.811 -14.983 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 -3.528 3.319 -6.779 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 13.686 3.176 -16.167 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 1.393 -0.233 10.976 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 -2.778 3.997 -0.434 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 -7.975 5.950 -21.389 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 -2.144 4.057 0.506 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 0.773 3.673 -6.532 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 -2.049 -1.903 12.438 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 -7.375 -30.521 6.557 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 -7.033 -3.873 -2.270 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 -4.001 -2.522 -17.515 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 19.664 -8.728 -1.555 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 3.226 -2.276 4.015 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 15.274 -8.979 18.440 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 13.014 -4.932 10.250 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 -1.352 0.773 -0.159 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 12.690 -7.052 15.909 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 -4.428 -20.664 -6.671 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 0.895 0.038 -9.380 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 1.283 5.243 2.736 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 -27.506 2.016 10.510 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 0.067 -5.388 -6.190 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 8.118 17.167 10.998 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 24.282 24.008 23.333 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 3.586 0.684 2.291 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 7.573 2.423 -0.537 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 10.126 11.004 -10.187 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 -4.595 4.865 4.082 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 6.991 19.879 -9.644 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 4.515 19.717 -14.614 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 -2.169 3.124 1.491 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 0.303 -13.033 7.281 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 -15.551 7.009 -15.962 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 3.970 5.363 3.835 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 -1.531 0.087 -13.806 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 12.119 21.693 1.450 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 1.557 -2.437 -0.670 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 -0.505 -6.518 2.498 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 -9.086 2.950 -14.001 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 1.926 3.770 0.769 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 -11.645 10.011 -6.775 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 18.074 -11.344 8.552 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 -1.042 3.418 -0.646 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 2.577 -30.084 10.724 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 12.050 -9.004 32.248 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 -5.254 -3.189 2.735 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 0.019 -2.659 4.771 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 10.950 2.380 -22.238 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 4.692 1.351 0.366 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 -1.995 11.492 -13.121 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 23.931 -5.338 2.595 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 1.976 -0.284 -0.670 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 -0.041 15.788 -11.209 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 -4.745 1.185 -11.334 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 -6.544 -3.693 -5.157 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 2.682 2.004 -8.973 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 15.181 -14.794 -21.523 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 -0.632 1.014 -0.661 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 12.522 2.074 8.636 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 -17.165 0.452 12.750 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 -3.227 -0.668 -1.751 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 -3.708 -3.624 -42.468 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 -31.164 11.433 4.665 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 3.138 0.609 7.770 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 5.143 -11.309 -21.903 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 -0.772 12.206 14.339 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 -3.133 -0.342 1.627 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 -2.733 -1.059 0.454 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 -5.437 -4.628 1.131 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 2.686 -2.037 -0.247 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 22.583 10.941 -6.929 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 8.309 -24.062 7.290 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 -2.815 5.716 -1.837 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 -9.553 -11.429 -2.286 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 23.611 0.476 -9.601 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 1.098 1.390 4.277 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 6.541 4.856 -0.136 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 -24.594 22.109 -25.519 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 1.562 3.362 3.193 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 9.131 -13.897 13.051 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 1.946 -2.360 11.975 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 3.700 2.886 1.869 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 3.242 4.593 2.313 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 15.588 -22.284 -11.726 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 -6.058 2.899 2.831 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 29.209 16.026 4.973 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 7.674 4.833 -3.739 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 -1.125 -2.681 -2.911 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 5.009 2.289 -4.077 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 -4.030 -3.328 3.930 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 7.056 7.685 -4.830 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 22.675 5.742 -5.066 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 -4.744 22.365 15.140 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 1.811 -0.327 1.686 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 10.062 9.984 -0.825 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 -1.496 -5.085 3.413 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 2.550 -1.320 2.873 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 -0.687 -10.418 -5.039 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 4.370 -9.521 4.871 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 1.245 -0.285 -1.082 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 -16.794 9.612 -18.758 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 -4.854 15.031 20.002 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 -3.414 0.289 2.285 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 13.105 -0.143 -5.325 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 -5.727 10.026 -8.896 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 -3.074 5.244 -5.825 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 10.670 3.015 17.331 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 2.852 -0.785 8.227 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 5.284 -2.751 4.688 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 1.868 5.103 11.419 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 -6.970 3.107 -7.361 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 -1.599 3.491 0.335 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 -22.164 21.433 -4.869 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 -10.641 10.737 9.394 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 1.224 -3.173 4.362 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 3.418 -3.711 7.629 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 -2.876 3.850 1.417 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 1.258 -6.526 2.109 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 14.391 0.328 -17.888 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 5.601 -5.439 -15.636 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 -8.644 -0.459 6.089 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 -2.692 31.232 -19.797 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 -8.466 -9.775 7.810 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 -0.997 -0.967 1.796 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 5.689 -3.092 -3.681 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 10.196 -11.263 -13.205 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 0.781 -4.278 -4.010 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 -0.123 -22.209 -21.264 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 22.230 28.525 -4.344 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 -1.434 -4.409 -2.738 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 6.384 13.365 5.802 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 -8.942 -20.318 -17.996 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 1.491 -0.751 -1.792 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 15.725 16.377 5.391 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 9.305 -0.985 7.299 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 -1.389 1.691 -0.575 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 9.215 12.542 4.348 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 -13.757 0.702 -27.650 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 1.574 -7.244 3.062 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 15.172 -19.684 32.269 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 -17.605 -21.349 1.578 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 3.594 -2.403 -5.025 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 2.020 -4.581 -1.522 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 2.386 2.508 -4.432 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 -1.323 6.653 1.270 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 6.261 -0.439 -22.677 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 -15.872 28.113 -17.834 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 3.578 -4.846 -1.965 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 -5.782 0.352 -5.349 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 8.644 -7.981 -9.681 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 -1.150 -1.737 1.089 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 12.937 -12.467 -6.215 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 -6.476 -4.814 -8.028 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 -7.582 9.486 -1.908 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 4.097 4.358 35.854 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 0.881 37.894 -10.159 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 0.952 0.321 6.459 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 17.407 43.211 -26.777 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 -5.732 -14.284 17.275 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 -4.655 1.122 4.195 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 -4.624 0.146 4.355 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 -6.946 1.228 22.786 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 -2.814 -1.137 -1.290 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 -7.638 -1.936 -17.903 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 -3.780 -4.216 1.398 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 5.371 1.882 -2.689 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 -14.720 -3.495 -3.081 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 7.411 -23.791 -0.840 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 -0.891 -6.960 0.461 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 9.482 25.539 -13.384 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 -2.968 15.437 -1.655 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 0.984 2.881 5.421 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 -2.144 11.943 -12.950 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 -26.088 11.260 -8.621 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 5.331 -0.598 -1.742 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 -18.700 -14.641 24.048 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 -7.577 -11.223 -14.319 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 3.039 4.041 -3.102 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 -6.303 -0.773 5.055 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 16.144 3.926 4.828 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 -1.714 5.034 4.735 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 -4.238 17.356 -0.643 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 5.508 -12.815 27.267 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 -8.564 -0.955 0.626 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 -2.559 8.960 -29.191 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 -37.012 -21.606 8.485 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 3.495 1.892 -4.389 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 -21.813 -3.362 1.142 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 10.690 9.061 2.502 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 2.298 3.157 4.555 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 -4.127 -3.541 3.117 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 8.263 14.065 9.261 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 -4.858 -3.276 0.256 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 -21.856 -1.308 -10.829 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 12.804 -2.764 4.055 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 -0.742 2.065 -1.196 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 5.527 4.152 -13.181 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 -1.877 -11.249 2.612 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 2.359 -4.149 4.470 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 -0.140 -0.671 2.073 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 2.945 -3.872 0.103 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 7.836 11.018 -1.354 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 -1.164 -1.169 7.549 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 7.834 8.872 -0.103 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 -0.557 6.550 -2.702 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 5.512 -9.711 -14.995 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 2.527 -0.738 17.147 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 5.618 -1.779 1.729 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 12.361 4.402 17.952 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 2.079 -5.918 -8.839 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 -1.807 4.986 6.914 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 -27.221 7.758 3.621 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 -11.137 -15.922 12.846 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 2.434 -2.277 -4.092 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 27.510 -21.414 -0.056 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 0.220 29.878 6.526 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 -5.693 -10.099 1.742 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 12.019 -0.441 25.485 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 15.657 3.262 -15.666 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 -0.321 -4.346 2.035 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 8.426 30.797 6.076 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 -0.626 3.990 27.445 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 -7.232 -2.317 0.475 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 20.819 1.656 20.478 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 -12.638 6.837 16.986 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 0.498 -1.012 -2.617 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 -24.984 -4.839 -7.670 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 13.319 2.360 -0.997 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 0.462 -2.958 0.499 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 -0.976 -13.752 9.669 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 -4.472 -1.976 -1.328 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 10.297 -6.891 3.293 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 19.745 5.005 7.113 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 -6.180 -34.409 -28.258 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 -0.261 -7.397 3.085 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 -2.580 -17.730 -10.418 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 -1.584 -1.429 -6.198 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 6.050 4.496 0.552 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 6.699 -7.438 4.305 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 6.628 -3.977 -3.757 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 3.140 -2.445 -2.193 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 -1.096 13.023 -6.665 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 8.948 1.771 10.522 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 2.577 2.055 9.193 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 -17.639 -10.584 17.592 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 -2.364 -1.219 9.336 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 0.633 1.531 -3.306 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 7.421 13.718 -6.506 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 -10.213 5.402 -12.464 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 6.286 -1.024 -4.535 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 2.704 1.677 -6.736 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 -1.709 2.654 -15.026 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 -4.234 0.503 -1.519 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 -4.265 -17.274 11.509 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 -8.583 -4.893 4.421 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 -0.350 0.858 1.617 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 8.445 -3.682 24.450 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 -7.447 3.239 -20.762 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 4.266 -0.902 -7.263 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 -1.056 8.548 -18.073 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 -5.862 -2.776 -2.476 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 -1.269 2.930 7.289 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 -4.692 -12.226 8.464 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 -4.337 20.551 -4.196 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 2.360 0.154 4.216 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 -6.634 -6.498 26.853 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 1.665 -0.322 6.806 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 7.287 9.535 4.120 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 5.172 8.266 1.662 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 13.719 7.696 8.820 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 6.594 -7.507 1.807 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 15.432 -9.022 -37.864 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 16.183 2.699 -1.134 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 6.447 -4.591 4.061 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 7.456 2.163 -3.733 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 -13.492 -8.471 -34.327 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 3.249 0.562 -0.793 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 -1.677 9.089 16.428 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 10.390 1.216 -4.521 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 -5.717 -0.349 3.525 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 -28.693 -12.127 4.365 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 5.544 -3.260 6.707 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 -5.400 -1.342 2.340 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 23.450 -4.900 4.282 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 9.422 -3.793 -1.361 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 -4.497 1.326 -2.671 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 -9.258 -7.926 -5.776 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 -7.321 -8.059 -6.858 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 9.683 1.094 -1.816 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 -11.492 -10.739 -0.233 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 6.711 4.611 -3.539 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 -2.466 -4.550 -2.389 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 -21.296 9.609 -20.653 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 -2.272 -0.268 7.807 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 7.539 2.698 -5.559 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 8.723 -1.335 -7.719 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 4.575 14.132 13.973 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 1.193 4.007 -4.136 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 -2.060 -1.218 -4.460 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 0.291 6.115 -3.120 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 -4.168 5.986 -6.012 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 -18.944 -4.292 -2.426 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 6.675 -16.230 -5.228 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 5.601 -2.762 1.096 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 -43.480 -12.521 -22.427 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 8.217 -6.269 3.081 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 8.614 -2.370 -5.635 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 18.057 20.172 -3.475 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 10.072 -10.710 33.516 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 -6.796 0.873 0.929 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 -14.320 -0.555 2.283 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 -0.377 -3.421 -0.150 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 0.322 -4.579 0.086 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 2.211 11.748 7.959 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 1.574 0.913 5.587 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 1.399 -2.030 9.423 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 0.413 -8.072 16.049 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 3.968 16.520 -3.232 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 5.504 3.471 0.343 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 -4.086 14.496 -6.158 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 -6.746 17.657 -7.810 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 -5.007 0.679 -0.116 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 7.047 -3.278 23.727 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 -11.215 9.628 21.048 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 -6.258 3.386 0.509 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 30.766 -8.220 -12.859 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 -5.351 -1.402 10.760 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 0.648 -2.887 1.221 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 6.338 3.336 12.561 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 9.123 -16.094 4.320 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 -1.692 5.251 1.842 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 -1.844 3.122 0.730 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 -12.425 12.351 11.159 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 0.441 -2.901 -5.375 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 8.819 12.895 17.977 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 -5.052 -3.135 -14.830 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 0.187 -0.329 2.730 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 2.578 -9.253 4.087 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 -0.123 0.545 -0.325 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 -5.072 1.973 1.803 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 -21.945 17.704 3.783 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 4.845 7.958 7.406 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 3.896 -2.015 -0.175 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 -7.333 -4.031 16.636 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 1.948 -8.497 -3.167 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 -3.486 -0.762 -8.022 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 -14.572 32.434 5.746 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 -1.602 12.564 -30.766 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 -7.570 -0.422 -0.602 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 -5.713 -2.965 17.361 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 -8.701 6.958 -10.837 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 7.382 1.818 -3.962 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 17.196 -14.329 7.246 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 -4.179 -9.036 -15.109 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 1.686 4.161 2.419 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 -4.919 -4.754 2.865 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 -2.589 3.222 7.598 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 -3.295 1.424 -0.622 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 0.062 -8.843 2.846 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 3.350 10.373 6.043 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 1.927 8.793 -0.890 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 6.062 -3.518 11.535 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 7.147 6.519 4.173 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 1.473 -0.659 2.127 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 -18.419 -11.358 -5.647 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 3.905 16.964 -13.359 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 1.615 1.849 2.830 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 11.007 -9.622 19.525 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 11.290 -8.187 1.947 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 2.964 1.129 -2.184 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 4.647 0.992 -8.350 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 -6.871 0.094 4.536 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 2.346 -2.453 2.581 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 15.567 9.965 0.852 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 -3.403 11.050 1.873 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 -1.794 -3.138 5.472 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 12.979 -4.763 5.359 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 -7.206 -10.588 -11.007 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 -2.790 -0.492 0.128 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 3.785 23.083 4.966 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 5.866 -12.628 -22.534 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 -1.869 -1.929 -3.507 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 30.985 4.096 5.564 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 -14.634 -19.134 -18.772 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 3.513 -5.855 -5.986 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 -2.220 -3.962 -9.302 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 0.245 -7.551 -3.167 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 1.682 -1.063 2.647 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 12.552 -1.598 -28.709 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 -5.944 -4.080 21.600 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 -2.137 -1.679 5.850 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 -14.847 -1.774 6.613 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 4.448 7.454 9.903 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 5.872 -0.587 3.143 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 -5.577 16.449 15.151 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 -10.041 16.239 7.468 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 -0.171 2.687 1.703 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 2.647 2.097 7.599 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 1.765 -5.738 -2.983 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 1.720 4.109 -1.840 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 -9.804 16.843 -17.710 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 -2.756 1.826 -4.683 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 1.291 -1.627 -3.360 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 1.696 -1.655 -13.436 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 6.023 3.480 2.600 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 3.414 -3.243 0.491 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 8.410 -15.496 23.937 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 5.071 -22.275 -13.182 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 -1.823 4.093 2.502 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 -2.807 -3.098 -3.981 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 2.867 17.515 17.671 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 5.718 -0.133 2.291 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 -7.778 15.339 -11.022 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 12.215 18.665 -18.451 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 -5.489 3.342 7.249 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 1.442 -0.297 14.653 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 0.854 2.207 14.211 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 0.199 -7.757 5.999 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 -6.774 0.370 2.681 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 8.896 -16.176 -18.929 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 1.156 2.844 1.373 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 -10.152 20.064 -1.804 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 -13.402 -8.229 10.539 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 -2.184 4.236 -0.067 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 -1.203 5.452 3.894 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 -8.662 -5.389 -33.349 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 0.975 -5.543 -7.054 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 7.008 -10.082 12.414 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 36.535 8.268 -12.341 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 0.418 -1.070 1.421 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 -3.538 10.457 6.012 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 3.599 14.681 22.465 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 0.936 -1.571 -0.457 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 1.677 3.463 2.745 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 -0.574 -14.269 0.007 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 -2.072 3.161 4.875 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 -6.223 3.296 2.481 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 -11.168 -0.361 -8.660 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 3.097 -4.242 7.328 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 0.131 -5.404 30.287 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 21.796 15.067 8.721 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 2.860 0.751 -1.747 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 6.809 4.479 3.257 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 9.016 -3.683 4.568 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 -0.441 3.655 -4.417 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 -5.502 8.773 -8.010 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 11.520 -7.169 -4.412 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 8.078 6.712 4.488 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 16.555 5.344 1.940 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 5.310 5.352 -14.153 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 3.395 -2.782 -3.574 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 12.459 -8.514 10.026 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 -1.189 -18.406 24.260 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 2.103 -0.464 -5.122 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 -23.062 11.011 -12.791 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 -1.239 -5.440 -25.521 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 0.007 -2.118 -5.254 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 15.480 -20.276 -8.579 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 16.983 16.672 8.058 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 5.504 3.756 0.143 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 6.328 7.037 -1.906 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 5.411 21.552 2.894 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 0.647 0.787 -0.306 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 0.088 16.058 -8.586 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 8.788 -9.915 8.036 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 -5.818 -1.023 -3.404 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 11.509 -0.069 -15.454 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 6.621 -3.424 11.903 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 -0.609 -1.994 -0.239 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 3.362 -5.868 -12.750 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 8.369 -11.585 -6.141 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 -11.172 -3.144 1.604 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 3.335 -7.446 2.192 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 -10.293 -7.013 0.340 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 4.884 -0.418 4.492 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 10.848 -5.034 4.943 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 -5.486 -9.920 3.154 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 -2.861 -2.286 0.332 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 8.417 2.195 -15.229 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 -0.863 17.633 10.459 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 3.046 -4.883 2.112 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 6.645 -6.424 12.063 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 -1.972 -12.567 19.718 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 0.937 2.393 3.262 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 -1.785 1.795 4.242 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 9.545 -0.563 -6.765 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 1.777 0.696 0.167 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 -17.180 9.654 7.896 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 -0.474 -33.741 -9.262 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 0.122 -5.943 -4.541 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 -3.446 -6.924 -8.169 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 5.031 -12.099 -0.197 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 7.976 0.413 1.237 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 4.158 -1.116 4.038 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 2.792 -34.759 -17.847 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 -2.406 -0.375 -6.013 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 0.918 -11.521 -14.145 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 -3.919 1.869 -1.923 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 2.434 -3.866 -5.742 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 -15.323 8.205 -0.195 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 1.064 -2.283 -15.015 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 1.845 -5.380 5.835 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 9.330 13.884 12.628 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 19.268 -21.557 21.402 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 -3.749 -1.935 1.381 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 -3.621 -30.939 -26.558 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 -7.838 -8.255 3.941 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 7.786 0.985 1.523 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 6.761 -7.892 -15.444 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 13.699 2.447 0.141 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 -0.435 2.640 0.442 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 17.412 7.157 4.067 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 4.734 9.113 3.867 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 -11.006 2.011 0.124 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 12.453 4.688 15.167 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 1.572 -15.027 -11.828 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 5.994 0.833 4.783 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 7.873 -11.693 16.594 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 14.500 -4.693 -7.685 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 -4.265 4.319 -2.387 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 -6.747 -6.186 4.183 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 -2.187 2.283 7.137 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 -0.722 -0.964 -0.060 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 2.860 11.851 -4.713 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 3.732 12.803 18.133 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 -3.090 -0.063 -0.021 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 23.778 7.377 -0.395 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 0.148 -8.022 -1.606 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 -3.775 4.214 2.632 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 5.207 8.393 3.411 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 -8.557 0.196 9.185 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 9.829 2.343 0.856 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 5.504 -11.101 -9.862 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 -0.743 -1.455 36.897 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 2.224 -1.620 4.381 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 19.747 -1.910 8.525 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 -11.919 -7.473 -3.910 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 -5.004 -3.717 -0.679 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 2.644 -13.007 -1.729 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 14.152 17.040 7.572 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 -3.058 1.120 -5.400 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 7.852 2.684 13.591 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 2.851 1.730 -0.797 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 -1.370 4.816 -3.265 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 -1.102 23.753 -0.747 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 -4.485 -5.127 -17.804 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 4.661 -2.913 2.768 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 2.885 -5.006 -1.084 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 -2.227 -13.686 -6.270 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 -3.593 -4.221 -1.452 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 4.578 -3.951 2.552 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 -5.697 -2.557 1.012 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 4.318 4.044 3.177 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 5.449 2.791 -8.975 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 4.640 3.997 2.381 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 -0.433 1.216 -7.162 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 13.990 -8.895 -2.090 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 2.808 4.730 10.156 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 -1.690 7.107 -2.551 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 -2.314 22.872 -5.728 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 -5.414 -18.819 0.901 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 4.995 -6.885 2.632 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 4.509 6.309 2.686 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 5.051 3.879 2.517 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 -5.384 -7.542 -6.684 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 -8.429 -10.251 26.442 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 11.068 2.087 -0.608 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 2.749 -7.179 1.736 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 9.689 -0.394 -4.523 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 -8.551 8.169 -20.683 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 -2.229 -3.117 -0.323 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 -18.763 -25.191 14.094 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 12.877 2.075 29.144 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 2.220 13.890 1.033 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 27.654 -13.284 8.656 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 5.828 10.337 2.142 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 1.364 -4.040 4.638 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 14.494 -2.592 20.320 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 -3.036 -10.236 17.057 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 0.695 0.046 -3.003 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 -7.760 -12.611 7.525 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 34.957 -5.582 -14.453 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 4.278 2.246 1.510 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 7.688 -0.610 0.117 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 15.871 18.055 29.562 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 1.850 8.797 3.079 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 12.416 8.307 -7.792 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 -15.054 -10.082 1.841 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 -0.969 0.285 2.392 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 18.317 -4.068 17.543 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 6.917 4.702 7.067 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 0.228 -0.451 7.091 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 -16.877 0.899 -5.209 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 -29.133 9.240 -0.298 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 4.911 0.592 2.937 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 2.267 -9.559 -1.829 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 -5.156 5.830 4.112 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 0.467 7.773 -2.277 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 1.360 13.192 10.976 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 6.305 11.816 -8.254 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 1.890 1.038 3.625 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 7.880 -4.964 16.713 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 12.900 9.653 -1.424 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 -5.817 2.744 -9.967 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 -15.044 1.491 -5.515 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 -2.178 1.352 -5.995 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 1.030 -0.553 -0.487 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 -16.560 35.920 2.372 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 13.278 -3.486 -0.230 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 2.021 -4.894 1.744 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 5.773 0.357 0.377 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 1.827 4.880 3.625 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 3.035 7.149 2.798 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 -5.171 -7.146 -2.193 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 -12.693 3.935 16.564 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 -5.441 -0.963 -1.374 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 14.307 3.321 -23.531 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 -8.716 -7.364 20.993 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 0.293 -2.014 -1.302 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 0.150 -3.679 -0.070 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 6.096 5.647 8.204 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 0.264 3.991 -0.070 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 -13.022 -23.311 -18.323 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 -15.493 21.688 -4.741 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 -0.732 0.504 3.393 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 4.597 -7.570 -17.607 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 1.850 -1.152 15.855 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 -0.679 -0.675 3.298 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 11.625 0.431 -28.036 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 -5.025 -0.461 23.494 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 -4.083 -0.899 -1.459 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 -6.342 21.573 -0.709 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 3.571 -1.103 -16.366 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 7.228 -4.810 -1.429 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 3.618 -19.511 -7.897 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 -0.938 -5.086 8.361 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 -3.059 -1.958 5.810 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 -10.785 -14.026 -3.794 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 -11.133 -6.661 -31.805 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 -0.638 4.298 -6.650 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 -0.406 4.091 -10.532 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 2.013 -3.535 -8.698 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 -4.713 -2.740 -7.886 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 -4.222 -1.748 -6.705 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 -0.603 -14.312 4.364 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 -0.309 -3.984 -9.218 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 -5.501 -42.249 4.119 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 -16.320 -1.014 4.087 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 -1.368 -1.656 0.213 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 1.060 3.314 -7.177 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 11.584 16.333 -15.983 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 9.135 0.569 4.034 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 14.961 7.882 6.745 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 -0.334 3.888 10.586 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 -0.727 -0.353 5.019 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 -9.195 0.067 -4.335 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 -21.916 -18.869 9.470 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 -0.726 -3.809 2.367 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 -9.259 -1.185 -14.390 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 1.210 9.885 -11.326 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 -4.526 5.100 -1.207 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 -9.936 28.061 2.391 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 -8.287 -16.607 -6.627 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 -2.817 0.421 7.133 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 -0.328 20.232 -17.807 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 -10.646 -6.632 -2.422 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 -1.394 0.977 0.363 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 -10.095 5.399 11.439 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 -12.374 12.772 11.881 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 -1.444 0.814 0.448 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 0.280 43.816 23.025 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 9.710 12.128 8.824 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 -0.113 0.853 -1.686 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 12.971 13.052 12.148 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 14.185 2.009 17.416 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 -0.356 5.993 -5.523 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 5.075 2.503 -4.310 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 -6.125 -12.521 11.650 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 -5.204 -0.133 1.158 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 21.073 -18.742 -6.668 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 -8.075 4.800 4.897 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 -0.655 4.288 0.588 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 15.829 4.330 -11.022 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 1.683 -10.704 22.133 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 -6.596 1.759 3.115 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 -9.903 0.467 -0.174 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 -3.043 8.073 0.746 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 -2.447 5.968 -1.429 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 -6.618 -2.227 -10.725 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 -4.403 16.340 -0.092 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 5.105 -1.318 -1.904 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 4.460 3.717 -13.676 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 3.996 6.617 9.160 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 1.825 2.643 1.904 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 -12.053 9.356 17.126 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 20.899 -3.179 9.460 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 -5.171 0.714 0.298 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 6.055 -5.126 0.270 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 -26.355 -1.648 -1.241 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 1.499 -2.626 -0.445 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 -1.286 -11.537 3.517 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 -1.000 -13.191 4.851 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 -3.426 -3.017 2.373 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 -2.404 -7.410 -0.605 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 -6.278 -2.607 -4.529 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 1.281 -3.437 -2.283 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 0.061 -6.824 31.112 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 -2.928 -9.681 14.777 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 -0.878 5.172 -4.750 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 32.679 -9.942 -14.190 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 -13.911 5.306 -1.931 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 1.487 1.269 8.493 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 -17.864 9.146 -13.786 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 -0.352 10.594 13.787 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 4.201 1.211 0.704 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 -13.056 -10.671 11.197 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 3.300 -2.910 16.829 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 -3.813 -3.022 -2.337 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 -8.991 -5.081 4.389 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 5.681 11.883 -0.523 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 -5.061 -7.138 9.135 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 -6.016 2.773 20.541 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 -15.608 -3.386 -1.417 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 6.394 -3.287 -9.402 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 9.476 -2.023 -6.969 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 2.831 -10.325 14.603 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 -2.036 -5.194 -4.848 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 -3.173 -12.065 0.910 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 4.999 -0.912 -0.898 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 0.431 -6.324 -6.835 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 3.935 -11.144 6.857 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 -6.573 -11.240 -8.395 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 5.557 0.620 -3.257 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 12.799 -0.393 -16.726 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 15.554 0.997 -4.792 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 -0.926 -1.283 6.206 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 -6.494 -7.848 16.543 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 6.437 -12.436 -7.211 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 0.333 4.691 -0.799 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 2.493 24.788 15.837 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 -13.946 -27.260 6.678 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 4.125 -2.559 -4.761 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 -11.141 0.185 4.903 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 17.914 -5.813 -15.377 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 -0.978 -1.095 -1.665 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 11.572 -3.114 9.995 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 -13.010 -8.119 1.912 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 -3.153 -9.121 -3.476 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 0.676 4.584 -20.325 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 1.395 12.650 -2.449 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 -4.416 9.148 0.766 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 -4.220 8.112 1.269 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 8.364 5.943 -13.343 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 -7.870 -2.857 2.048 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 0.806 -23.878 10.488 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 -12.219 19.859 24.904 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 4.222 -3.386 9.633 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 2.319 -12.370 9.930 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 20.873 -10.200 22.991 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 2.972 -4.641 2.032 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 -10.654 -19.693 9.674 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 -9.100 1.694 -9.565 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 2.053 0.672 -4.732 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 -22.282 -14.698 -2.191 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 -4.788 34.950 1.225 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 -2.941 -3.488 -1.432 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 11.372 0.432 13.968 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 -20.408 -14.449 3.676 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 1.276 -1.056 -1.499 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 -10.886 -2.799 -0.987 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 21.365 3.136 15.977 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 -6.888 0.539 3.476 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 -7.022 -5.253 16.879 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 -13.990 0.586 4.255 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 4.055 -4.299 -2.243 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 2.466 -7.175 0.277 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 9.494 -0.722 -6.909 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 -3.613 0.594 -4.295 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 -7.132 -7.464 -3.073 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 9.729 -3.992 10.629 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 5.683 -2.483 -0.336 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 0.407 -18.168 -10.766 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 6.851 -5.076 1.696 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 -0.342 0.500 -7.912 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 -7.046 9.273 16.436 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 4.143 1.393 0.861 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 0.028 4.502 5.186 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 0.643 3.362 1.158 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 -2.619 -1.337 4.448 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 -1.380 -2.594 -6.411 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 -10.483 5.254 -21.308 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 18.610 -2.274 -25.770 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 -0.724 2.202 -1.917 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 -3.381 1.767 -3.418 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 19.257 -7.747 -6.724 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 -6.701 -2.676 1.222 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 -2.936 -4.297 0.580 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 14.632 9.249 10.890 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 -7.193 -0.094 0.522 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 15.238 2.656 7.180 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 -3.328 -0.285 -18.004 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 4.300 1.260 -2.270 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 -0.164 -9.140 9.445 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 17.784 12.987 -18.895 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 9.601 -0.915 -3.553 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 4.078 2.526 11.557 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 -7.818 -7.997 13.575 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 -5.365 -0.550 0.277 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 -2.030 -8.018 0.387 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 2.220 7.386 -2.855 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 -0.779 0.655 -2.303 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 -5.659 -0.790 -0.050 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 -2.568 7.588 -2.481 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 -1.206 -2.800 -3.911 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 2.312 -7.551 1.451 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 -23.201 17.171 21.595 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 -0.924 1.644 0.161 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 -18.527 7.784 9.502 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 8.585 13.942 6.507 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 -2.673 1.717 3.264 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 -8.712 9.417 11.711 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 -0.966 -1.430 0.394 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 -4.271 2.896 -5.747 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 -2.403 2.691 -4.551 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 -35.220 0.077 -29.312 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 0.162 1.037 5.546 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 -0.943 7.026 20.306 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 11.983 -20.988 -9.121 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 5.041 -2.052 0.587 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 -7.471 12.068 -8.783 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 -5.256 -17.001 -6.138 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 1.551 5.408 2.818 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 28.372 -14.254 28.301 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 16.378 6.374 -6.680 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 -0.493 -6.254 0.716 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 -6.210 -2.560 5.993 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 -6.664 -9.188 -6.778 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 -0.542 -0.042 -0.313 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 8.933 -0.607 5.260 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 6.060 3.988 -8.097 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 -2.019 -5.432 -6.169 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 -4.621 -3.390 -10.094 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 1.647 -1.241 -18.737 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 3.325 -7.580 6.303 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 -3.868 29.297 10.690 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 -24.664 -14.974 -1.866 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 -2.876 3.358 -3.034 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 -1.636 1.027 -5.578 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 -11.744 22.804 12.742 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 -2.667 0.715 -2.987 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 -10.789 -8.224 -10.593 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 3.944 -0.240 -17.659 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 -0.554 -3.838 1.097 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 4.330 -24.074 -5.108 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 -3.506 -2.304 11.599 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 -6.240 -5.068 -6.598 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 0.031 12.001 45.002 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 9.508 -6.127 8.383 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 1.317 2.332 2.493 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 7.098 7.815 -1.169 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 4.899 9.825 -0.774 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 -4.978 1.819 -3.530 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 -11.655 16.722 -3.206 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 -44.474 0.296 19.602 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 -2.504 -0.346 -1.262 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 -38.237 -22.893 0.659 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 4.252 4.657 2.623 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 5.639 -4.985 -6.549 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 -7.593 -10.717 11.744 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 -5.720 -30.353 -5.761 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 -6.395 3.060 -4.525 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 -6.682 6.352 2.056 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 28.116 0.216 17.004 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 3.397 -0.945 4.378 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 8.100 6.496 1.441 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 6.245 -13.720 8.663 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 -3.126 -5.649 0.462 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 -11.758 -7.009 -3.164 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 1.071 -0.289 -6.088 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 5.835 -3.553 -1.556 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 6.691 -1.196 0.912 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 5.227 -6.139 5.913 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 1.085 -0.109 -1.454 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 -8.233 1.816 -7.365 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 1.670 -1.921 10.141 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 2.664 1.785 -1.864 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 -19.516 10.627 -39.002 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 41.815 -7.149 -1.200 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 -4.398 4.473 -2.393 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 1.378 7.622 8.951 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 -11.110 -3.222 -5.578 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 -1.666 5.577 1.695 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 10.848 4.200 5.481 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 -0.326 7.461 1.850 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 1.271 0.686 0.721 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 2.175 12.491 -9.458 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 -17.304 -5.120 11.720 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 -9.451 -4.624 0.200 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 17.223 -1.118 -9.024 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 -23.746 19.474 -12.529 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 -3.693 1.974 -4.230 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 -7.076 -1.019 -18.949 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 5.402 8.982 15.110 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 7.572 -1.517 3.397 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 27.669 -3.610 -5.454 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 -13.372 -12.342 14.169 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 -3.791 -0.553 1.442 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 -3.509 -4.212 11.160 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 -1.287 -6.105 23.099 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 5.946 1.200 -1.816 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 20.810 -11.157 -6.181 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 -3.087 3.287 -6.123 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 -4.740 1.620 -0.670 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 13.991 -1.515 0.020 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 -12.354 3.687 1.350 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 -4.628 3.824 7.962 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 -7.974 6.194 15.898 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 -14.700 -2.618 -2.241 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 -5.453 1.785 2.987 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 -11.019 2.144 0.355 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 -38.374 -12.845 16.819 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 1.663 11.309 6.965 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 18.240 10.516 -13.196 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 -9.760 2.614 -16.188 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 1.773 -4.271 -0.647 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 -1.116 -4.648 1.221 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 -11.935 -6.612 9.060 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 1.845 -3.805 -1.295 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 0.581 -3.107 -2.429 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 -18.641 6.829 -19.226 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 6.135 -1.171 -0.414 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 -3.402 -13.717 -1.057 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 -15.943 11.137 -13.710 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 2.525 -4.525 -0.179 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 4.473 6.365 2.581 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 9.419 -11.078 5.204 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 -5.109 -11.862 -1.518 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 -32.881 -3.203 -5.151 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 -6.115 13.651 14.845 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 2.066 -3.588 0.361 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 15.343 -21.990 31.264 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 1.707 -2.627 -1.464 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 -5.345 1.174 -0.232 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 1.501 -32.748 8.663 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 -6.625 16.614 10.050 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 3.623 4.203 6.554 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 0.647 1.770 -1.912 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 15.957 6.464 6.027 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 1.230 0.062 -0.945 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 16.971 -16.350 -7.925 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 -14.807 -17.632 -1.245 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 -0.377 -0.075 3.730 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 20.644 0.691 11.451 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 8.543 13.115 -15.681 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 5.861 1.135 1.096 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 5.010 -2.468 -11.146 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 12.338 6.256 16.560 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 3.350 -0.213 4.215 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 29.003 17.875 -7.676 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 0.015 -3.637 -14.286 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 -0.898 -0.150 2.973 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 13.528 3.865 16.138 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 -8.248 -17.900 7.814 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 -0.950 2.923 -4.463 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 1.599 5.071 -3.112 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 0.585 -5.170 -6.625 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 3.600 1.210 2.533 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 -10.644 8.751 7.597 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 0.075 -12.376 -5.843 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 0.754 -6.393 -2.485 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 -5.369 -0.016 -0.348 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 16.354 -7.162 13.779 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 0.847 4.257 -5.145 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 19.596 -26.605 8.568 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 -5.515 13.415 23.714 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 1.498 1.065 2.566 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 -16.636 -13.289 -1.343 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 2.574 4.006 12.334 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 1.579 -5.551 6.037 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 -9.452 19.550 3.758 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 11.135 -3.389 -7.071 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 3.087 -1.651 2.719 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 -9.051 -8.364 -12.707 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 -8.340 -1.884 -7.355 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 3.519 -2.991 2.339 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 19.987 -16.842 -1.389 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 -11.796 10.338 7.901 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 6.259 -2.718 0.399 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 -10.164 27.182 -5.350 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 5.577 -0.869 -0.356 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 2.741 -0.557 3.338 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 -17.520 8.135 12.245 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 4.444 -5.767 6.832 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 -2.618 3.001 -4.887 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 -1.826 6.587 -3.777 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 -3.501 -14.499 -6.928 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 5.107 -1.503 2.321 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 -21.352 4.824 6.498 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 3.167 10.053 6.310 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 -6.188 -1.457 -0.268 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 -15.226 -6.680 3.525 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 -1.700 -11.179 4.872 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 -3.504 2.448 -4.898 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 1.855 0.695 7.954 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 -2.660 15.840 -11.013 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 1.425 -5.560 -2.196 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 -3.159 -9.144 12.477 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 -2.579 -7.232 12.425 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 2.015 -1.180 -3.396 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 9.641 10.761 -4.793 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 5.065 -0.268 3.662 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 0.630 5.632 1.395 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 -0.559 -9.143 8.698 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 6.495 6.951 -11.805 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 -0.624 3.081 2.987 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 -19.684 4.374 -9.794 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 -1.786 7.338 5.480 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 5.858 -0.058 -3.711 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 19.840 -2.127 8.507 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 18.045 -6.249 10.079 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 -5.535 1.784 -1.669 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 0.162 14.705 9.311 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 2.025 3.375 -0.017 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 7.841 -3.124 -4.644 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 33.196 -24.549 -10.278 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 10.055 -10.887 -8.066 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 4.957 -5.617 -0.559 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 3.912 -3.341 -0.548 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 15.592 -17.031 -19.889 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 -1.488 -5.567 -1.736 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 -3.281 -1.063 -2.479 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 -4.746 0.100 20.790 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 0.273 0.093 0.663 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 -26.234 -13.099 -4.198 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 -17.666 6.760 -4.378 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 -7.302 3.053 -5.987 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 -8.588 -24.430 3.672 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 -30.301 5.074 -16.562 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 1.721 -1.214 -4.419 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 25.409 -20.550 13.531 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 -12.123 8.307 2.533 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 -1.811 -2.164 -1.872 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 -4.233 23.506 -34.736 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 4.707 0.789 -5.001 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 -2.992 -1.129 -0.882 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 -13.182 -6.975 -4.994 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 19.219 -0.870 -2.054 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 1.551 3.629 1.543 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 3.165 -7.151 18.832 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 -12.450 -10.356 14.118 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 0.355 1.028 3.704 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 7.151 -1.292 9.635 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 -11.024 19.990 9.192 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 -0.784 1.273 -3.961 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 7.670 -7.338 -15.275 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 -4.903 41.085 12.395 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 3.548 -3.687 -1.487 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 6.002 -4.456 0.369 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 -1.699 0.332 -7.016 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 4.521 3.947 -0.815 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 4.664 -6.290 -15.826 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 1.585 -13.724 -0.128 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 -2.715 -1.308 0.610 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 11.007 -12.642 8.085 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 5.910 -7.064 16.297 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 2.244 -0.676 1.266 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 0.476 -2.794 -5.264 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 7.008 -1.534 12.609 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 -0.128 -3.657 3.960 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 -0.111 1.362 11.928 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 1.731 -12.012 -0.956 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 0.554 -6.116 6.584 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 16.413 -9.835 11.834 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 16.161 -11.310 11.773 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 -3.932 -2.003 -4.021 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 2.089 -0.555 -9.687 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 -7.506 -3.463 -0.309 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 -0.352 2.974 -1.749 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 -6.078 -3.774 0.979 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 0.630 -3.127 -2.295 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 1.218 -4.813 -0.707 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 8.813 -0.186 -13.929 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 5.596 -2.463 -7.673 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 4.214 5.343 1.064 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 -10.506 -12.766 2.681 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 -6.199 -42.406 -6.487 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 -1.726 -2.420 0.495 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 2.696 -0.569 -6.807 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 3.405 -9.239 5.766 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 3.138 -3.536 -2.037 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 16.844 34.217 18.354 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 -10.678 -13.927 -10.018 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 0.396 6.411 -2.680 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 13.051 11.404 -0.084 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 -2.882 -3.839 -1.890 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 -0.452 0.855 1.441 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 7.441 4.632 -8.727 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 -2.708 -1.271 -12.384 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 0.406 -2.480 2.130 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 -9.864 16.448 3.889 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 -7.385 4.326 3.457 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 0.397 -0.796 4.202 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 14.048 -5.859 -4.057 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 12.277 -4.417 -3.448 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 1.653 -2.035 1.808 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 4.703 18.736 -12.528 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 5.591 -20.552 -14.342 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 -0.653 2.995 -5.698 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 -1.529 -4.372 -2.411 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 0.172 0.579 -1.159 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 -1.642 3.820 3.951 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 -8.414 13.985 3.656 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 -5.691 10.564 5.062 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 0.772 2.932 5.081 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 0.492 -1.605 2.710 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 9.411 10.281 14.725 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 -1.727 1.266 -3.015 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 16.323 10.488 -6.761 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 6.402 -15.213 0.392 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 2.603 -3.335 -0.552 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 -15.718 -10.773 8.497 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 0.060 -1.471 8.281 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 1.258 -1.904 1.815 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 5.442 -12.720 -6.617 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 -3.202 -10.033 -8.864 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 3.557 -3.342 1.796 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 -4.022 -7.947 0.979 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 6.774 16.891 12.180 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 -8.483 -4.629 -0.674 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 -22.503 -19.385 -1.044 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 4.034 -19.141 3.750 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 -3.663 -2.499 0.774 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 15.212 8.724 -14.727 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 -7.526 -13.914 15.013 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 5.244 -2.491 7.487 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 8.149 -9.087 13.248 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 4.105 -6.248 1.850 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 -1.733 -3.845 -6.439 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 -0.617 1.970 -1.475 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 2.785 14.993 -6.326 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 2.716 -2.335 3.911 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 5.220 -15.724 16.521 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 -2.693 -1.216 -5.310 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 0.776 2.763 -2.162 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 14.905 1.934 -2.374 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 23.892 -2.701 -10.930 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 -3.366 4.815 -4.489 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 23.080 -4.204 4.436 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 11.653 -18.707 2.163 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 -0.718 -1.488 4.831 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 17.889 0.028 -5.271 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 17.503 -8.942 -0.008 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 3.904 2.213 -4.314 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 4.003 -1.900 -2.734 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 1.002 -7.241 -3.891 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 0.984 0.034 2.093 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 14.997 -2.922 5.341 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 -12.855 -7.734 5.582 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 5.132 3.418 -2.457 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 -7.281 14.669 -8.414 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 -1.997 -7.649 3.821 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 2.569 -1.105 -3.476 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 -0.996 4.171 8.378 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 7.713 -10.275 -3.512 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 0.541 3.981 1.081 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 -6.430 0.138 -5.393 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 -19.630 -4.242 11.603 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 -4.760 4.788 1.070 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 20.970 -13.103 1.559 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 -0.918 -12.173 4.733 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 3.230 -1.703 -6.125 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 -9.409 2.686 -8.123 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 -4.587 13.727 0.138 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 0.310 -1.925 0.442 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 2.112 1.089 -14.646 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 -0.350 10.592 0.527 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 3.468 2.467 0.082 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 11.448 -3.407 -15.392 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 1.027 -4.082 13.294 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 -3.916 -2.542 -3.859 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 2.115 -9.917 -0.063 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 -4.133 6.413 4.004 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 -9.309 -8.713 -1.613 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 -1.490 11.672 -7.659 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 5.534 -5.643 -27.702 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 5.719 1.101 11.481 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 5.112 1.993 8.895 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 7.419 -0.045 15.173 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 -6.413 0.884 1.364 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 0.206 8.146 7.285 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 -16.238 -2.262 0.712 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 -5.233 -0.450 0.521 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 -1.029 7.681 -28.626 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 -2.061 -0.202 -10.499 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 -3.445 0.606 -1.676 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 31.256 5.102 13.878 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 -12.774 -15.630 -8.128 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 -2.768 3.304 2.048 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 -10.324 5.131 -2.325 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 -8.820 1.599 -10.277 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 -1.042 -1.929 4.188 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 -23.990 6.163 11.427 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 6.805 -7.796 8.474 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 -5.014 9.533 5.030 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 -17.482 11.688 10.519 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -15.011 7.661 -3.595 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 1.058 2.457 2.194 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 15.242 26.310 16.648 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 -0.877 -25.486 -0.913 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 0.218 -4.521 -3.394 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 13.669 0.225 -7.853 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 -8.604 -0.726 -14.897 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 -1.168 -2.580 -1.338 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 7.940 6.854 -1.815 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 -32.209 -21.381 -4.280 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 -2.128 -1.620 6.674 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 -6.924 8.329 3.683 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 -0.134 -2.949 16.422 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 3.675 -2.240 -4.494 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 -0.747 -4.675 9.715 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 -4.802 5.160 -3.666 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 5.095 3.120 9.399 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 -2.773 -2.483 -9.007 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 2.474 -2.060 5.982 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 -2.037 -6.185 -2.273 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 -11.148 1.201 -0.408 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 14.049 5.901 7.504 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 -2.356 -5.139 -7.433 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 -1.541 -5.275 -0.173 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 -4.316 -9.067 -17.478 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 1.904 3.432 -2.637 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 -12.189 3.292 15.658 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 -11.828 6.070 -12.993 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 -14.276 3.316 1.809 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 -6.547 11.651 -16.091 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 -11.267 7.608 -8.437 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 4.895 5.387 1.033 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 14.861 -1.936 -2.205 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 -0.811 9.141 3.291 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 -5.794 0.600 2.637 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 7.262 -9.758 9.941 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 -1.803 6.481 4.943 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 4.333 6.839 -1.986 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 -7.626 3.193 -8.261 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 16.809 11.617 37.777 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 0.602 6.180 7.958 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 -16.188 7.062 -14.027 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 -15.825 6.935 -6.035 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 -6.953 0.510 3.753 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 -12.266 -1.021 -13.107 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 -29.642 -2.999 -5.191 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 3.577 -4.170 0.226 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 -1.508 -6.020 -3.175 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 5.237 -20.009 10.276 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 2.497 0.407 3.065 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 -9.904 14.229 14.982 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 -7.400 -4.479 6.735 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 -2.778 -0.437 -4.696 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 16.094 9.810 6.794 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 -2.418 0.855 5.535 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 -9.674 -2.039 1.974 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 6.940 24.753 21.314 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 -20.494 14.216 29.452 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 -7.333 0.623 4.228 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 19.210 -13.390 5.908 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 18.805 -8.138 -12.049 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 -3.420 5.853 4.008 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 -10.062 7.659 13.964 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 -1.639 8.845 3.517 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 2.525 1.068 0.484 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 -2.187 -2.986 -6.073 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 -5.242 2.750 2.735 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 -2.031 -1.004 -2.818 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 -10.505 -35.194 1.430 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 -11.635 8.267 -14.562 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 1.139 2.460 -6.957 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 2.036 -2.675 -2.417 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 -6.864 -1.391 -8.627 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 -0.018 1.001 -5.784 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 6.988 7.592 3.819 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 -5.685 -6.551 0.452 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 1.230 -5.243 2.151 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 5.162 0.271 10.608 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 3.219 -4.741 3.118 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 -2.234 -1.236 -4.545 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 15.546 26.149 7.508 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 12.694 30.453 -9.275 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 2.701 4.982 1.789 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 25.538 16.305 -7.062 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 3.280 6.118 0.123 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 0.156 -5.781 0.513 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 19.131 5.179 -20.733 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 11.644 1.568 -10.297 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 -3.947 2.392 1.079 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 13.875 0.831 -8.100 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 -28.459 38.071 4.281 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 3.303 3.229 6.464 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 -7.427 -1.318 14.315 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 -18.870 4.285 19.924 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 -0.616 7.853 -3.895 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 -22.009 20.943 -13.280 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 -15.513 21.991 10.811 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 -1.366 3.547 8.024 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 -4.230 2.860 -11.561 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 4.146 3.932 -17.000 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 -1.139 -5.950 11.754 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 13.840 1.567 -5.160 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 3.803 15.659 8.530 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 -0.739 -3.163 0.587 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 0.361 -3.128 -2.676 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 -3.113 4.119 -0.635 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 -6.644 4.633 -3.114 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 -21.055 -3.260 -18.101 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 -14.642 -2.325 -6.054 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 0.650 -2.402 7.314 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 -3.825 7.326 -11.498 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 24.265 -10.742 4.940 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 4.351 -0.257 -0.314 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 1.004 -10.192 0.096 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 4.025 6.188 -5.903 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 -3.833 5.992 -2.943 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 4.346 -9.023 -8.245 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 -6.434 12.094 3.424 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 1.053 -3.245 1.472 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 -7.602 4.380 -7.294 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 7.670 8.266 -29.797 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 2.313 0.476 -5.454 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 3.862 -3.569 -5.921 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 -0.999 -0.107 -2.259 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 -0.512 3.800 -3.176 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 -7.464 13.740 -12.275 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 5.217 -5.305 -11.052 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 8.875 2.009 -0.153 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 4.869 1.823 -5.712 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 16.532 -11.693 14.213 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 -2.668 -4.989 0.848 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 -16.392 -4.581 -1.770 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 2.252 2.065 11.408 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 2.519 -4.072 -0.464 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 14.369 29.364 -25.755 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 20.134 -12.496 -5.981 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 3.555 0.245 0.187 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 -8.939 8.556 -5.051 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 18.500 12.536 -6.380 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 2.992 -0.936 -1.150 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 5.784 2.709 -4.334 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 -18.898 -2.798 -0.727 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 -3.559 -0.274 2.616 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 0.770 -7.404 1.447 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 4.024 -12.351 0.728 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 -0.546 -2.711 4.793 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 -2.307 2.891 5.645 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 17.015 -11.808 7.225 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 -0.071 -2.600 0.223 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 -14.215 1.057 18.216 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 18.451 -5.810 10.126 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 -3.053 -3.681 7.435 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 8.938 -4.253 8.051 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 -21.867 -1.761 7.724 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 9.139 2.974 2.051 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 6.834 10.636 24.986 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 3.083 26.041 -18.922 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 5.806 3.310 -5.815 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 -15.213 2.736 -5.099 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 10.881 4.549 10.323 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 6.572 -0.606 0.144 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 0.577 -16.633 -10.007 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 -4.689 11.924 11.130 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 -0.070 -1.492 -3.480 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 18.789 0.850 -23.663 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 21.669 42.002 1.325 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 -4.533 -0.799 1.073 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 4.949 -17.116 -23.115 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 2.992 -12.367 3.273 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 -1.886 2.772 5.150 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 5.652 -6.391 13.300 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 8.353 16.709 -12.041 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 -1.385 -3.299 4.263 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 0.272 -5.655 6.934 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 11.405 -6.690 3.934 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 0.766 -6.593 -2.153 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 -1.375 -16.586 -6.786 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 5.582 9.393 3.778 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 -2.051 -0.383 -0.950 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 -10.974 13.715 1.239 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 5.142 -11.039 -4.063 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 0.848 -3.417 2.183 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 9.066 -0.046 5.357 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 13.530 4.982 18.665 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 -0.376 0.590 -6.182 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 -1.802 4.197 -30.680 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 -19.748 -16.601 -1.977 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 5.900 -4.243 -1.667 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 -2.528 -13.358 18.247 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 0.406 2.828 -9.201 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 -4.901 -0.372 0.468 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 10.282 -22.093 3.356 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 10.244 -14.877 -13.579 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 4.687 10.626 -2.295 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 -9.500 18.682 -3.900 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 16.574 -1.731 2.899 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 0.401 -3.110 4.047 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 5.787 15.755 7.525 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 2.903 6.908 6.537 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 -4.276 2.668 -0.681 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 2.097 -6.803 2.518 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 -5.461 4.176 -3.071 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 -0.955 0.591 4.774 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 9.931 -25.993 21.119 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 -12.244 7.258 -8.515 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 1.436 0.180 -1.355 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 5.031 -12.725 -2.017 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 -15.006 -8.379 -9.723 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 -3.086 5.074 -0.330 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 16.319 -6.055 8.262 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 9.054 2.185 -5.651 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 3.252 -0.879 -3.890 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 3.912 0.521 -0.896 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 5.940 4.456 4.665 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 0.941 0.076 -1.039 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 20.143 2.152 -8.960 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 31.074 -3.725 -2.270 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 3.619 -7.676 3.592 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 -14.764 -0.742 18.641 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 -2.039 -1.395 -14.115 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 0.355 -0.759 -3.475 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 -14.933 -7.587 -2.356 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 -6.320 -3.207 -3.036 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 -0.254 0.014 1.132 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 -2.651 -14.712 -12.310 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 -3.720 -7.698 -7.464 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 1.612 0.541 2.225 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 16.520 33.417 -11.578 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 -1.296 -4.853 -12.473 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 2.261 4.936 1.315 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 7.602 3.455 7.343 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 9.801 21.449 -0.576 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 4.907 3.379 -5.568 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 1.725 11.734 -7.030 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 17.541 -22.057 0.050 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 -2.209 -0.797 -6.184 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 -13.591 7.021 -26.576 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 -0.584 -2.587 -11.339 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 5.502 -5.125 2.039 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 7.404 -15.924 6.054 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 2.779 -21.587 -4.073 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 1.250 2.352 0.504 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 17.754 1.367 -35.590 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 -28.219 -21.197 18.807 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 -7.408 -1.180 -0.394 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 13.032 -8.815 -8.589 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 -5.072 -2.330 -2.250 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 3.139 5.543 1.342 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 4.360 5.726 -19.302 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 2.263 9.455 11.100 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 -3.280 3.246 -0.372 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 4.150 -3.194 -16.776 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 10.391 12.713 6.789 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 2.923 0.780 2.946 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 8.618 2.816 5.104 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 -0.443 -8.539 4.630 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 -2.839 -4.497 -0.954 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 0.067 3.957 4.463 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 -5.147 8.931 12.958 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 -1.488 -0.576 -4.991 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 -7.299 -8.892 -12.682 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 -8.322 -21.362 -14.061 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 5.114 -3.539 -4.011 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 -15.218 -20.933 -14.450 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 21.886 -18.998 9.654 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 1.102 4.618 1.040 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 5.833 22.411 2.116 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 21.551 -6.292 5.614 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 -2.201 4.119 4.671 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 22.103 -2.065 0.606 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 -1.775 18.039 11.739 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 -2.466 1.355 4.085 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 2.920 1.371 5.135 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 -4.119 2.110 -7.428 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 2.854 -3.726 -1.306 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 -3.358 -1.793 0.317 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 5.218 -6.668 7.956 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 -2.873 -2.081 2.280 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 -5.834 10.132 5.932 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 7.847 31.409 2.052 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 -1.425 4.413 -2.848 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 -10.505 4.001 -19.510 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 -18.999 -4.259 9.691 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 0.497 0.348 5.270 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 9.260 -3.581 13.262 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 15.363 -2.003 0.023 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 -2.129 -0.955 4.252 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 -1.546 7.862 1.620 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 0.530 -3.670 2.868 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 3.812 -2.395 -7.400 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 -6.439 -20.083 -6.791 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 26.820 1.167 -15.980 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 3.512 2.543 0.488 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 -8.764 -2.522 -8.782 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 5.236 -6.571 15.413 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 0.365 2.557 -1.430 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 -4.591 -8.552 11.885 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 -7.822 -3.553 -14.144 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 -9.235 2.245 4.047 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 -10.983 3.635 7.968 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 -2.546 7.846 -3.698 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 5.204 2.358 1.412 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 -2.195 2.507 12.682 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 -3.650 3.641 13.151 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 7.253 -0.085 3.224 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 0.563 4.929 -0.424 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 9.695 5.837 5.047 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 3.374 -1.968 5.436 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 5.346 -4.360 -3.685 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 15.503 -16.888 -15.417 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 3.868 4.090 4.336 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 7.090 13.126 6.302 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 -8.414 -1.330 7.853 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 2.420 1.901 -6.243 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 7.569 -2.109 -11.584 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 -4.540 -0.808 -7.089 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 -2.832 13.704 -4.067 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 -4.062 15.387 -12.659 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 -1.984 14.444 -3.300 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 -0.071 0.976 0.885 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 -12.578 -4.179 -13.907 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 1.037 0.255 20.059 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 10.620 2.186 5.370 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 19.505 0.156 -9.395 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 -9.288 10.749 -5.069 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 2.060 1.329 -0.700 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 -0.588 3.831 10.881 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 11.174 4.581 -13.603 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 0.399 1.066 1.602 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 18.819 1.145 -11.330 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 -14.905 -9.220 -10.411 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 -3.990 -2.267 -0.815 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 9.108 -11.938 -8.647 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 -2.769 -0.629 13.589 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 -1.957 -0.673 1.583 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 18.427 -8.430 -0.406 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 -5.632 14.915 -6.668 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 5.058 1.318 -2.769 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 -15.342 4.273 -4.299 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 -10.486 4.429 -1.356 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 3.847 -7.827 4.957 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 5.779 13.287 1.762 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 -8.456 20.075 3.252 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 0.243 3.167 -2.956 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 9.039 27.861 -2.330 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 -27.167 10.631 7.077 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 3.297 -3.007 -3.135 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 -1.707 -0.516 12.466 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 4.841 -8.774 28.804 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 2.627 4.467 -5.114 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 7.254 -27.469 0.107 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 29.715 -17.748 9.670 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -5.105 -1.179 6.434 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 -0.581 0.149 -10.228 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 -5.958 -0.121 -1.218 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 3.579 4.973 -3.832 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 16.498 5.146 -5.613 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 6.276 19.444 2.116 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 -4.161 2.356 -3.093 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 0.428 10.318 -8.858 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 10.317 -2.967 -14.677 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 5.013 0.374 -2.219 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 10.901 7.596 1.370 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 10.759 -9.172 4.472 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 -1.293 10.793 3.332 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 21.626 -6.951 15.044 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 8.661 1.904 10.546 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 -3.442 -0.098 4.648 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 -16.103 -8.327 -13.503 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 -8.898 -5.270 -2.687 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 -1.664 1.344 3.509 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 24.557 2.161 -13.791 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 -15.140 -5.273 15.801 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 2.182 -0.876 1.967 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 -3.457 -10.359 -7.256 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 11.973 -5.998 -12.743 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 1.549 -4.909 3.130 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 -1.212 -18.574 -4.847 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 -4.530 -16.065 0.221 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 -1.752 -2.122 4.543 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 -4.803 -5.115 -0.254 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 -0.401 1.621 1.108 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 4.753 1.849 2.527 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 12.316 12.122 8.901 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 3.772 22.278 -8.815 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 0.819 -0.667 -1.428 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 -3.099 -10.895 13.272 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 -6.416 6.893 -9.917 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 3.935 -1.389 4.419 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 -3.813 -3.618 -2.237 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 -0.973 -14.120 10.879 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 2.784 0.669 4.047 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 -3.560 4.591 5.452 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 2.812 -3.874 17.040 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 3.210 4.635 -1.154 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 -1.636 5.323 0.145 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 20.127 -11.209 1.644 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 -6.884 -0.160 -5.038 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 -4.290 8.069 -1.024 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 -3.686 5.193 -3.809 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 3.749 -5.062 1.715 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 3.617 -1.350 -4.460 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 7.184 -1.516 5.744 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 2.870 0.769 5.481 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 -0.976 -1.927 5.235 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 3.869 5.313 7.928 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 -4.205 -0.808 3.754 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 51.591 -1.396 -17.111 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 15.469 0.641 -1.682 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 -3.919 -1.247 -1.790 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 -12.669 -4.700 3.307 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 -3.857 -12.732 -4.763 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 1.083 -1.880 -0.206 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 -2.053 -7.881 1.985 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 -6.549 16.219 -3.710 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 5.760 3.903 0.943 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 8.371 1.611 -3.062 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 7.626 -1.804 7.132 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 3.180 -3.768 5.716 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 0.619 -2.578 2.406 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 11.529 -9.087 8.006 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 -0.049 -7.768 -0.507 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 -9.463 5.574 0.826 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 -0.537 -15.530 3.093 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 -0.784 -1.076 -1.665 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 6.339 6.670 2.073 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 -12.889 2.257 8.306 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 7.743 -7.514 -3.450 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 0.773 -5.182 -2.630 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 22.486 2.303 -2.935 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 7.161 -2.214 0.153 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 10.937 -10.924 -5.757 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 -10.894 -12.493 -30.100 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 0.858 9.528 5.812 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 4.146 13.343 0.461 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 -6.725 1.535 -1.963 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 3.237 0.416 0.168 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 -1.482 19.191 5.597 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 -5.016 7.015 14.271 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 -2.738 0.822 -0.584 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 7.512 -6.220 2.545 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 -5.304 -2.552 11.181 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 0.971 5.254 4.979 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 -2.761 -27.427 -0.298 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 -4.914 25.262 11.228 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 7.747 -0.384 4.118 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 -1.879 6.756 -4.135 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 -2.292 28.779 14.733 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 -1.547 -3.734 0.084 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 7.957 5.028 -2.589 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 7.110 2.499 -1.927 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 5.099 3.357 2.465 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 4.393 0.707 1.882 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 -5.187 -24.264 2.637 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 1.983 2.843 -4.066 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 -20.597 14.504 15.928 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 9.564 0.174 -8.924 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 0.483 -0.047 -0.418 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 -8.476 4.390 -7.142 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 1.135 -16.804 2.549 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 3.512 -6.986 -0.438 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 -3.077 7.951 -13.932 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 -11.760 4.506 -12.545 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 -1.674 -0.322 2.644 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 -4.677 5.277 3.330 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 -3.595 -5.012 3.896 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 -2.911 7.396 4.917 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 2.327 30.031 -14.244 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 -32.024 7.479 14.350 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 -3.041 -3.488 1.210 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 -8.734 -16.576 4.099 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 10.338 -5.146 0.303 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 -3.329 0.849 0.326 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 39.111 -29.715 -7.888 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 1.993 -21.278 -4.773 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 -4.195 -2.080 0.955 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 8.436 -18.643 8.824 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 -23.313 6.197 7.960 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 1.523 2.374 5.583 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 14.442 8.105 3.901 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 1.514 -6.971 -0.831 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 3.285 0.462 -5.996 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 -15.209 -20.366 19.704 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 -14.285 -10.531 19.126 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 1.150 -3.034 -7.866 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 1.518 7.070 -1.070 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 3.965 -14.405 3.040 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 -0.014 3.164 2.977 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 -1.374 7.671 1.750 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 2.925 15.877 -6.197 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 -2.208 -6.581 -6.587 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 0.561 -15.278 -2.937 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 -2.834 -1.158 -3.769 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 2.562 -8.915 3.103 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 1.670 5.601 -1.995 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 7.859 -1.718 3.447 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 -1.391 0.212 3.300 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 21.700 -12.141 3.317 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 -9.050 3.074 2.983 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 -0.269 -0.652 3.182 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 15.514 -22.436 -12.326 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 -4.769 6.477 7.534 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 -2.234 4.260 -5.192 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 -9.137 13.755 -8.792 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 6.451 -10.791 -3.326 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 -0.611 6.250 -1.550 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 -6.796 -24.745 -5.412 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 -5.213 -30.498 -3.630 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 -2.271 -0.999 -5.286 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 -7.690 -6.594 -2.401 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 1.921 -2.544 0.616 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 3.319 6.004 5.221 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 36.160 -23.745 -8.916 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 -7.405 9.736 -17.369 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 4.283 1.892 0.360 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 1.204 4.465 4.701 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 14.090 1.177 -35.003 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 8.836 -1.763 -1.715 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 -10.295 -9.561 -8.525 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 12.002 -17.614 -2.139 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 -1.671 -1.707 -3.396 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 -9.370 0.473 -4.594 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 13.314 -6.011 -0.282 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 0.257 5.170 2.983 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 4.596 6.330 3.843 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 -4.338 -9.249 -2.122 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 -3.411 0.331 -3.045 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 2.099 22.428 -10.889 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 -9.355 -9.839 4.194 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 -3.476 -1.588 -3.616 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 14.009 6.994 -2.648 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 -12.698 31.128 1.170 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 -2.535 5.572 0.823 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 6.966 6.861 -5.843 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 -4.876 2.799 10.038 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 2.263 0.752 3.484 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 14.714 14.598 1.137 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 -24.001 -21.613 3.789 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 2.959 -0.850 -0.257 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 21.632 10.778 6.365 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 -1.387 -4.086 -17.519 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 0.821 -1.976 1.455 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 7.299 4.999 3.252 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 -8.589 4.871 -9.923 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 -2.370 -2.333 -0.971 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 -23.825 0.814 1.974 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 -7.126 3.066 -0.922 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 0.934 -2.727 2.654 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 -26.651 7.541 0.279 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 -6.605 -2.393 28.738 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 0.692 5.200 -4.839 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 -0.302 17.499 -13.320 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 14.144 7.219 2.082 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 -0.031 -3.137 1.113 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 -9.547 5.462 14.472 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 -5.532 15.153 -9.585 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 -0.978 -1.945 5.680 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 1.084 -2.932 12.425 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 6.398 -11.085 4.164 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 -0.199 0.537 1.398 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 -7.604 19.139 -9.996 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 -12.541 -19.129 -0.478 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 -2.926 -1.976 7.861 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 -2.889 -7.544 13.306 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 5.671 0.030 3.153 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 7.821 -2.951 0.336 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 15.822 18.887 17.651 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 2.376 2.998 13.028 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 1.315 -4.592 0.361 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 0.497 -10.557 -5.796 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 3.437 -9.689 1.151 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 -0.940 -3.091 3.643 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 -14.461 -21.694 1.172 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 18.749 -5.726 2.389 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 0.943 -6.632 4.785 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 0.935 -2.998 8.917 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 7.093 -15.719 -1.022 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 0.726 7.442 -5.945 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 15.205 4.224 -18.928 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 3.954 1.589 4.672 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 -3.895 -4.274 -2.251 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 6.844 -9.432 9.181 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 -6.060 -5.786 0.010 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 3.587 3.325 0.331 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 18.805 10.752 18.786 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 3.646 -13.372 41.483 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 0.380 1.040 0.248 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 9.412 -9.401 -20.244 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 -13.981 1.127 23.158 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 -7.523 -9.598 -1.139 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 -14.875 -1.054 2.207 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 -12.756 -8.429 -5.371 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 -6.945 1.175 2.092 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 -1.179 -16.514 -13.710 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 -0.842 1.375 -4.596 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 1.128 -8.059 9.159 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 3.312 8.591 20.467 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 -11.618 40.959 12.676 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 6.075 1.901 -0.696 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 2.649 -12.370 4.220 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 10.193 9.441 -10.557 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 -10.280 2.572 3.931 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 2.805 -6.113 -6.953 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 5.311 -5.671 8.809 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 2.186 -1.328 4.130 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 -3.486 -0.915 4.586 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 13.366 15.131 2.472 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 -3.740 0.099 -2.738 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 -19.255 9.943 30.329 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 10.828 -4.679 -5.121 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 3.438 0.687 -0.216 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 -6.323 4.997 -3.477 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 3.738 3.098 9.768 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 1.338 1.534 4.329 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 -24.106 11.082 -6.414 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 17.098 -6.082 11.702 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 -1.565 5.760 1.341 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 -6.981 12.945 0.685 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 3.871 8.285 5.948 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 2.975 2.583 4.561 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 1.381 -0.415 1.862 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 -4.992 -8.162 -9.019 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 -1.016 5.779 -7.858 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 -2.193 10.808 8.749 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 10.974 5.834 -6.084 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 2.655 -0.462 1.940 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 9.753 0.446 9.985 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 9.758 -3.952 -3.457 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 1.611 -2.895 -5.805 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 7.424 0.814 -11.344 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 -7.316 -17.449 1.966 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 1.001 -0.377 -0.336 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 1.283 0.429 -1.970 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 2.133 -21.266 -21.541 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 -1.675 -0.182 -4.458 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 -2.337 7.889 -4.472 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 1.781 -2.024 5.145 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 0.974 6.900 -5.296 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 -7.489 -7.480 -18.586 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 -0.637 2.850 -9.695 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 0.341 0.530 1.164 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 -8.465 15.698 -6.374 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 -3.207 5.101 0.564 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 3.028 -3.755 3.014 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 -7.903 -27.050 4.504 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 -31.335 -2.290 11.649 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 -3.601 -0.459 -6.737 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 -0.979 18.309 16.855 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 8.921 -10.240 -0.020 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 2.891 -0.131 -7.499 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 -3.472 -14.639 -24.914 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 4.535 12.885 4.180 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 4.102 -0.844 0.894 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 -6.624 -9.709 9.887 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 -9.014 10.957 -22.969 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 -1.521 8.616 -1.350 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 23.324 -19.327 35.780 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 6.204 8.057 10.242 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 -3.881 0.885 -5.892 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 12.055 -12.493 -4.599 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 -2.096 15.778 -0.756 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 -0.485 -0.716 7.019 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 -6.216 23.207 20.914 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 -15.720 -10.011 14.621 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 0.845 1.121 -4.838 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 19.438 -43.256 -7.307 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 3.369 23.793 -36.976 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 -6.511 -3.165 2.181 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 -10.304 3.660 -0.389 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 -14.650 7.850 -14.636 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 -0.625 2.798 0.464 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 12.129 -1.923 -16.455 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 7.804 -8.397 0.765 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 -5.475 0.822 4.018 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 -6.337 5.051 13.755 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 6.091 22.613 20.230 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 2.203 -8.534 5.104 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 11.490 -2.112 -3.026 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 3.174 -7.384 3.247 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 -2.409 -3.516 1.438 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 -9.322 -0.165 17.680 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 10.845 -7.450 -7.927 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 6.496 8.234 -6.518 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 8.764 7.034 -4.731 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 25.282 27.444 27.805 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 2.712 1.466 5.877 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 15.545 16.285 14.987 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 0.572 -3.464 4.123 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 -0.251 0.566 1.860 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 -2.012 14.542 21.406 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 0.619 -4.681 -4.949 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 4.569 -4.258 -1.172 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 6.043 -2.215 0.070 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 -4.361 -3.204 -5.383 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 -8.931 -0.450 -4.309 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 -5.728 22.569 3.987 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 -13.088 -14.318 -8.707 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 4.526 -2.916 -1.334 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 20.275 -9.574 -19.145 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 -7.433 -27.824 -1.724 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 -0.572 10.602 0.509 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 -13.895 -22.342 -6.945 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 -3.547 11.880 2.038 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 -0.850 3.934 -2.222 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 5.199 0.835 -5.895 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 -0.391 5.075 -13.291 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 1.936 -1.216 1.746 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 -2.552 0.550 2.672 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 6.851 -6.884 -0.612 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 -5.466 -3.175 2.197 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 -11.694 3.539 10.525 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 -5.376 -20.469 2.296 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 10.124 7.949 -0.964 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 8.316 -5.859 -0.584 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 7.649 15.503 -7.865 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 -4.562 2.982 1.932 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 10.972 -6.575 -1.745 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 -21.700 13.534 7.287 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 -3.471 1.143 -7.091 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 -12.589 -0.784 -6.373 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 -19.630 7.960 -6.192 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 -6.148 -1.538 -2.589 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 -6.345 2.528 -3.987 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 -2.571 -0.957 -4.818 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 1.425 6.188 6.684 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 -16.946 -18.047 20.500 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 4.783 3.512 -2.121 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 -0.236 0.538 2.550 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 3.769 2.554 -7.340 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 -4.676 -3.333 4.477 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 3.424 5.374 -7.295 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 -13.121 6.069 -1.340 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 -19.592 -1.027 0.757 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 -1.388 -2.992 2.879 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 5.261 -11.367 -11.960 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 5.925 3.672 6.764 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 -2.108 -4.560 0.877 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 -2.222 -4.078 -0.798 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 0.396 -14.559 11.123 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 1.537 -3.196 -1.869 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 13.444 -7.341 -9.367 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 5.681 3.306 11.418 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 -4.646 -0.981 4.363 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 -2.103 -2.805 13.726 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 -5.957 13.087 -15.732 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 1.972 -3.810 -1.579 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 0.333 8.030 0.047 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 -4.653 2.449 1.628 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 2.625 -2.667 2.541 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 14.005 -11.813 -0.128 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 -7.454 1.128 30.679 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 6.844 3.850 4.546 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 1.289 3.600 -6.697 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 9.069 3.265 7.319 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 1.720 -5.941 6.618 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 9.234 -18.208 8.497 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 14.277 -9.960 25.411 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 0.797 -2.838 -5.164 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 5.349 -2.784 -4.109 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 13.151 -3.451 -1.668 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 1.183 -2.335 -3.734 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 -0.060 -2.414 -1.123 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 -0.654 -0.544 -8.993 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 0.036 3.271 4.256 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 14.180 5.463 -8.944 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 1.468 -6.669 -0.822 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 -2.826 -4.496 1.447 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 -14.553 19.515 15.748 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 4.214 -20.675 -4.236 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 7.283 2.744 -0.179 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 -2.374 -13.074 -14.499 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 23.973 2.985 -13.050 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 -0.954 1.277 2.951 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 6.246 8.769 -17.016 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 -17.123 -10.322 -5.293 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 -4.975 2.033 -0.773 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 -2.136 9.755 -16.651 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 -0.903 -15.827 3.110 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 -3.901 -5.888 -2.367 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 20.931 15.924 24.028 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 -5.510 2.251 2.564 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 4.993 1.320 2.812 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 25.392 -3.322 18.967 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 32.575 -3.944 -4.233 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 6.504 -5.078 -7.740 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 -11.194 -12.838 -13.224 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 14.018 9.450 -8.645 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 -2.865 -7.196 -5.674 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 1.710 1.295 14.077 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 2.017 16.597 19.205 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 -1.290 4.844 0.097 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 8.239 -6.154 26.140 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 -7.539 12.300 -15.721 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 0.635 4.189 -0.303 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 -2.870 5.002 4.995 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 2.171 -1.230 -0.238 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 0.119 4.274 -6.238 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 17.527 1.605 -11.145 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 -0.167 20.139 2.994 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 -4.162 -3.000 2.982 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 4.005 9.455 2.139 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 4.657 -13.339 -7.419 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 -5.517 1.040 -2.073 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 -16.141 3.303 7.273 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 3.274 -1.080 -6.126 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 -0.699 -1.302 6.833 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 -1.995 -3.282 10.837 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 -20.932 25.040 10.642 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 -7.323 0.327 -0.335 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 -5.672 1.261 0.341 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 -11.724 -4.953 -4.521 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 -1.273 2.472 3.589 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 -4.751 26.250 8.070 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 -1.510 -11.294 1.779 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 2.818 -2.102 6.307 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 5.332 -6.313 -8.186 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 8.354 -2.374 10.465 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 -4.508 3.841 8.991 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 -23.280 12.379 -2.927 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 3.669 -13.390 -5.398 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 -1.841 -0.271 6.722 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 -1.722 -3.789 -9.835 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 -5.380 -13.795 -18.547 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 -0.590 5.800 -6.904 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 3.213 6.451 -34.706 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 -13.287 13.747 37.325 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 1.144 -0.699 -3.889 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 -2.872 14.498 -10.102 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 14.691 8.482 -3.234 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 -6.457 -0.740 1.408 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 -4.221 1.968 4.266 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 -3.764 2.363 6.688 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 9.743 7.523 -3.399 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 6.633 14.536 2.245 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 7.878 11.519 -3.560 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 7.925 0.516 -0.112 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 21.594 1.741 -11.107 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 -0.099 -7.799 -8.336 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 -3.286 1.494 -5.378 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 -19.279 16.102 12.518 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 1.102 20.342 0.145 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 1.363 0.618 -3.274 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 12.375 14.913 -10.017 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 9.172 6.155 -15.713 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 -1.843 -1.324 -0.724 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 13.719 9.122 -8.039 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 -23.502 -11.664 13.337 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 -1.952 4.388 -6.834 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 -20.827 10.833 -3.817 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 -2.832 -3.239 5.127 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 1.551 0.813 4.169 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 11.610 27.346 -7.923 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 9.196 2.752 0.375 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 2.741 -0.715 -8.075 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 -13.255 -0.426 -13.793 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 9.339 7.785 -19.673 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 2.959 0.492 5.337 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 -1.344 -12.209 6.797 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 5.035 -33.833 -3.555 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 -0.477 -5.145 -9.894 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 -21.841 -0.362 17.669 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 -16.948 -2.410 -17.408 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 -4.325 -1.197 -0.519 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 -2.148 2.153 -3.573 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 1.880 -15.334 1.144 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 4.316 -4.500 1.435 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 -2.077 8.586 2.466 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 -11.758 -12.864 11.065 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 4.694 -4.553 -5.732 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 -16.119 10.931 20.582 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 4.152 -1.585 -20.294 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 -8.475 -2.696 4.026 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 -8.611 3.663 6.292 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 -13.744 -6.009 8.704 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 -0.576 4.213 -0.377 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 7.838 -5.112 1.884 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 -11.752 -4.978 14.732 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 2.482 -4.043 0.308 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 18.827 -11.864 -4.739 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 -20.407 16.907 -5.823 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 -1.694 -2.096 -3.154 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 -2.298 4.344 -4.007 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 -12.864 -18.103 11.049 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 2.327 -0.024 2.377 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 6.638 -1.110 -13.027 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 -1.294 1.640 12.829 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 -6.176 8.064 3.091 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 -16.295 2.741 -9.036 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 -1.115 9.947 22.574 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 -1.742 4.614 -1.293 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 3.619 -12.210 18.735 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 2.836 11.776 1.366 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 -0.981 0.745 -2.969 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 0.434 30.850 6.338 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 -1.901 7.377 10.267 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 0.207 -6.098 -4.268 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 20.721 -10.988 5.662 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 -8.017 -18.870 8.331 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 -2.433 -1.914 5.503 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 -3.555 10.468 8.206 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 -3.279 -0.567 15.970 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 -2.792 7.297 -5.407 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 -6.741 4.731 5.242 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 1.016 0.142 3.192 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 1.713 5.133 -0.158 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 -31.595 17.118 10.857 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 -0.256 26.199 22.406 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 -1.756 -6.361 -3.718 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 -5.181 -19.551 15.231 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 -14.594 -2.253 3.539 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 -1.308 -0.589 0.712 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 -4.787 -6.934 3.742 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 -10.100 -13.926 3.938 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 7.466 5.168 2.869 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 -3.851 4.669 0.805 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 -0.660 13.879 -17.564 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 -1.956 -6.433 -2.637 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 -4.068 2.181 4.735 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 -5.222 -12.677 -0.821 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 3.258 -4.395 0.145 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 -7.268 -11.252 1.801 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 9.278 -0.472 -7.855 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 3.919 -0.676 2.973 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 7.380 13.472 -3.229 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 -2.237 11.220 18.928 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 -2.959 0.482 -2.997 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 8.957 5.228 -1.336 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 -8.398 7.956 -12.417 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 -5.242 -3.198 -2.436 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 -1.529 -3.294 -8.226 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 6.314 -3.983 -25.634 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 -3.184 0.298 -5.590 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 4.087 -1.757 0.156 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 -0.832 3.085 -2.656 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 8.787 -5.312 -7.160 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 -23.581 4.792 0.640 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 22.180 -30.438 15.399 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 7.371 0.443 -1.593 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 -15.417 -6.915 -13.605 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 -3.120 -21.244 -8.910 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 5.332 -3.673 4.430 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 -5.714 8.267 6.533 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 11.856 -5.503 20.890 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 -4.204 0.452 -8.097 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 -23.598 -7.045 -24.146 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 -5.029 -8.610 -8.746 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 0.750 -1.056 -4.404 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 3.605 3.946 -6.714 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 -7.692 -17.674 -3.870 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 3.266 -5.147 -1.185 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 9.292 -9.063 0.341 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 -2.238 -12.982 -2.042 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 -8.662 1.277 -1.865 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 -15.847 11.753 11.131 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 -2.104 -0.848 -5.014 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 4.929 0.820 4.875 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 28.377 9.233 -5.995 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 -11.781 -7.850 8.991 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 0.805 4.683 -0.502 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 13.443 -6.103 9.989 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 -13.314 21.341 -13.336 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 2.095 0.816 -0.916 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 2.337 3.811 -4.700 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 -0.678 6.047 -1.056 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 -8.452 1.726 -1.548 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 -14.009 30.384 -42.150 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 -7.674 3.131 -1.629 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 8.351 1.859 3.694 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 7.694 1.340 2.511 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 20.667 3.483 0.284 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 2.330 2.334 -4.718 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 7.819 8.040 -1.538 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 -5.532 23.016 -18.393 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 -1.143 -2.625 2.008 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 3.816 7.793 -2.939 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 1.140 2.854 5.446 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 -6.364 0.696 6.701 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 14.026 7.571 14.922 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 2.202 -9.648 -7.897 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 -1.639 -5.928 1.081 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 2.381 -2.850 2.210 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 -9.303 -13.922 -3.127 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 -5.775 1.159 1.565 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 -14.123 11.066 5.323 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 -25.576 -5.596 15.953 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 0.563 -2.531 -8.140 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 -12.635 8.225 12.973 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 4.678 -9.890 -18.773 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 1.402 0.362 1.991 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 -3.158 -14.410 -0.541 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 3.739 -4.637 -0.161 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 -3.312 5.759 3.050 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 -5.293 13.529 2.705 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 2.740 3.936 21.170 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 2.951 2.569 -0.476 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 6.917 -6.619 -16.070 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 3.541 1.538 -1.988 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 2.415 4.589 -2.743 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 -1.420 -1.030 0.498 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 3.339 0.162 -6.689 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 -4.830 5.422 0.836 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 -0.138 5.625 -7.794 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 -14.240 -13.657 -7.324 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 -3.889 1.502 -2.339 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 -2.460 6.281 2.022 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 2.454 -11.252 10.774 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 -0.649 3.512 -4.192 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 -1.576 1.687 -4.261 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 9.731 2.871 -14.016 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 -4.564 -7.215 9.423 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 -4.996 -37.119 7.541 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 -2.088 -9.339 14.107 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 -0.247 1.370 4.764 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 -4.083 -3.217 3.395 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 -8.444 -0.820 16.834 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 -2.869 -0.266 1.551 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 -20.697 0.296 16.505 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 1.842 22.196 -6.401 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 -5.210 -3.842 -0.672 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 -11.168 7.286 -0.800 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 8.646 -20.104 -2.340 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 0.902 -9.228 1.857 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 -0.748 -13.790 5.446 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 12.638 1.585 -4.325 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 -5.165 -0.680 -7.280 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 -14.349 3.224 4.797 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 10.683 14.011 -7.286 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 -1.682 8.513 7.268 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 2.953 9.719 3.634 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 -4.692 6.991 11.391 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 5.361 -0.835 1.105 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 -8.069 -17.743 15.507 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 -20.519 -22.441 6.045 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 -5.619 2.164 -4.264 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 -6.210 3.852 -5.078 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 0.233 12.076 -10.067 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 2.253 3.578 -4.590 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 0.712 10.074 -3.421 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 -12.920 4.226 0.807 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 -3.203 -0.129 3.881 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 -8.556 8.240 1.075 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 -9.494 6.268 8.763 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 -3.845 3.555 9.354 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 -6.252 -13.468 18.599 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 -7.311 -13.669 -4.021 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 -1.274 -0.815 2.778 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 14.400 -9.355 6.839 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 -27.062 -16.894 19.055 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 -1.759 1.045 0.176 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 3.286 8.834 0.869 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 1.134 4.498 0.620 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 10.422 2.522 -5.127 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 -8.747 9.260 9.218 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 9.779 -4.832 2.173 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 0.440 1.339 -1.738 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 -3.489 7.379 11.736 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 5.272 -16.745 0.142 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 3.810 -3.894 -5.786 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 6.691 -4.534 0.398 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 0.953 -3.557 -23.457 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 -3.150 3.526 5.183 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 2.022 -5.232 10.944 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 29.568 2.448 18.553 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 0.637 2.342 5.743 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 -24.738 -20.608 -8.005 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 -14.548 10.582 -2.358 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 1.206 1.939 2.347 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 10.618 -22.770 7.435 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 -1.654 -10.824 4.341 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 3.485 0.494 5.756 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 -7.803 -1.671 -2.455 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 14.552 -8.855 -11.065 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 -1.714 -0.728 1.971 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 5.672 -8.203 0.744 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 17.204 8.798 2.520 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 7.886 -0.775 2.954 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 -11.131 -33.115 20.003 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 10.274 -7.956 0.334 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 -4.158 3.857 -6.761 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 -4.685 -0.686 -4.358 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 -9.440 -2.067 -4.483 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 -2.864 3.079 0.587 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 13.809 -9.675 16.141 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 10.060 -9.924 8.576 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 3.954 1.503 -0.270 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 20.236 31.828 10.394 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 4.718 -20.960 -5.955 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 -2.089 4.815 -0.679 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 2.452 -10.538 -11.821 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 -3.408 -0.433 -9.941 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 -0.122 1.670 1.270 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 8.701 1.528 3.118 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 -5.525 -12.784 -18.169 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 1.950 -2.903 -2.918 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 -9.438 -15.203 -13.402 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 25.222 -23.195 -12.806 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 1.322 -1.359 -6.373 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 0.636 11.508 11.584 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 -3.959 -5.279 -9.308 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 -1.613 -1.573 5.994 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 21.507 7.362 -19.240 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 4.836 0.957 -1.170 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 6.715 6.709 -3.549 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 7.622 -2.806 -5.074 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 7.467 10.819 -3.663 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 -5.029 -0.644 -3.429 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 -17.206 -5.844 -9.835 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 6.110 -7.576 3.918 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 -3.280 2.539 -5.177 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 3.774 6.271 10.728 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 0.664 2.114 -9.663 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 6.672 -0.242 3.131 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 23.988 12.374 -6.845 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 20.898 1.066 6.433 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 -4.943 -4.612 0.152 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 -13.596 -11.615 7.407 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 -11.126 -20.702 0.251 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 5.445 7.336 -0.877 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 5.521 4.220 1.912 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 3.392 7.842 3.985 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 -4.268 2.828 -1.868 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 -6.396 4.950 -3.058 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 -9.819 1.484 -3.752 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 2.668 -4.550 -3.412 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 41.721 -2.036 6.636 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 -20.123 -5.349 -9.831 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 -1.582 2.669 4.866 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 -13.975 11.729 -5.449 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 5.590 -3.116 25.535 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 -1.289 -7.459 -1.391 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 -0.718 -1.021 -3.478 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 1.969 -5.532 0.069 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 -0.495 -2.317 1.570 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 -3.324 -2.297 0.562 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 2.634 0.795 12.735 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 -4.238 2.287 5.559 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 -10.446 12.642 9.315 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 17.813 1.024 17.828 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 1.528 -0.540 2.158 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 -24.490 10.161 -35.318 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 -18.403 -2.335 -7.917 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 2.725 -8.058 5.667 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 -15.426 -4.657 2.820 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 11.814 1.995 16.501 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 8.517 -1.532 -0.190 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 -3.731 -16.934 7.210 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 -6.798 6.867 0.527 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 4.154 0.675 -1.960 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 21.914 -3.510 -18.847 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 17.325 -2.368 -14.875 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 -5.466 3.725 5.653 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 2.864 -2.665 18.717 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 4.976 -0.390 15.709 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 -3.622 -2.380 -2.983 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 9.579 10.164 8.260 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 -5.166 -19.293 9.281 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 -5.168 1.868 4.797 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 -13.870 -20.137 5.785 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 8.490 -8.536 5.613 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 -1.560 -0.839 -1.252 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 12.288 -13.076 4.551 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 -16.577 -14.843 12.383 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 0.451 -3.946 1.320 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 -2.175 -14.368 1.095 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 -22.970 -15.613 0.962 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 -7.846 -1.253 1.942 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 -0.847 -8.218 -12.630 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 -22.892 0.993 1.686 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 -2.284 -0.708 4.344 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 -23.057 -18.237 21.475 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 -2.803 6.093 -6.138 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 -0.561 1.719 2.340 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 -0.171 -34.809 -7.808 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 -2.613 6.117 -21.497 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 9.616 -1.568 -1.645 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 9.190 9.452 -20.868 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 -1.505 -9.988 -37.182 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 6.129 -0.464 -3.756 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 4.024 -2.055 -3.517 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 6.183 -1.561 -0.262 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 0.763 3.720 0.604 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 -11.882 -11.974 -2.538 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 -14.677 -6.203 -22.443 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 3.232 0.381 -5.760 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 13.652 13.425 -18.449 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 3.371 0.746 9.083 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 1.236 4.762 4.492 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 -4.163 9.164 12.994 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 5.384 -9.301 -9.530 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 3.990 -6.118 -6.195 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 -2.880 -0.695 -1.597 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 -7.357 -1.566 -6.374 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 -2.077 -2.049 -0.418 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 -21.293 -3.183 -25.595 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 -28.622 -18.083 1.382 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 -11.288 5.988 -8.585 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 -3.897 -7.228 -19.744 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 -4.890 -4.149 11.201 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 -4.232 3.265 0.513 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 -8.979 -31.504 12.435 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 -4.199 18.870 7.141 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 2.388 1.272 -4.971 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 -10.126 9.113 21.844 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 5.162 -29.563 -11.594 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 3.272 1.590 2.034 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 2.213 -1.433 7.126 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 -3.500 13.298 -17.680 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 1.181 -3.122 8.814 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 -1.992 3.791 6.097 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 -2.584 -5.833 8.436 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 2.707 4.684 -4.956 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 6.121 -13.067 -9.752 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 8.856 -12.821 -32.425 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 0.824 1.916 1.985 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 5.947 3.804 -4.296 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 0.860 2.358 1.538 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 1.808 0.188 4.496 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 -20.239 9.895 6.507 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 -24.878 8.296 18.871 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 -2.306 -0.436 -0.836 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 20.603 -0.070 -5.910 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 -26.004 0.159 -4.948 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 -0.641 -5.316 -6.890 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 -6.163 10.536 -11.525 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 12.595 -4.225 1.650 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 -6.730 1.882 9.114 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 1.072 6.725 11.247 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 -8.444 0.916 8.182 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 0.678 -3.959 -0.344 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 6.237 -14.596 13.415 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 8.744 -0.503 9.090 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 3.514 -0.664 2.812 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 8.411 -2.530 -5.842 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 4.964 -6.389 9.258 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 0.858 -6.479 2.963 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 -11.291 -14.918 10.205 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 19.664 25.472 -26.574 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 -7.943 -2.973 0.431 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 13.638 9.418 11.258 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 -6.201 2.244 3.967 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 5.408 2.022 -0.615 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 -10.675 -5.639 -10.109 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 27.559 17.569 15.623 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 1.535 -3.022 -4.697 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 -3.635 -6.739 0.851 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 -9.259 -4.705 -4.874 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 3.336 7.593 -3.273 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 15.848 8.877 13.530 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 14.521 0.492 14.016 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 -4.717 -2.128 -3.551 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 1.053 6.484 -18.542 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 -4.464 1.834 -11.756 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 6.747 1.440 -7.018 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 -27.739 -3.668 -20.297 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 8.099 14.361 -6.015 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 -5.921 8.638 -1.269 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 -28.620 -6.081 -4.244 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 -8.604 -1.521 18.212 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 4.310 -0.391 -1.839 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 4.535 4.041 -7.045 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 0.166 1.169 -15.603 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 -7.956 3.924 0.366 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 -0.201 1.926 2.943 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 -20.525 -2.299 -0.817 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 -1.909 -0.270 -4.070 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 8.660 -20.745 8.738 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 -11.155 7.396 -15.619 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 3.149 -1.675 -0.808 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 7.956 -7.235 16.720 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 1.087 -7.542 1.205 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 7.917 -5.706 -2.858 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 11.652 9.213 -6.529 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 5.323 -21.859 -0.792 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 -5.087 0.625 1.412 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 -5.696 1.334 -11.405 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 -5.269 1.659 1.214 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 -0.460 -1.314 -3.360 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 -11.184 -25.339 -8.876 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 -7.959 -14.272 -6.645 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 2.144 3.198 -1.447 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 14.687 3.091 13.840 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 -8.410 -13.787 -32.070 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 1.433 3.343 0.308 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 8.304 -16.548 -22.306 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 -25.458 -1.156 0.201 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 2.149 4.195 2.627 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 -28.986 15.212 3.717 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 -9.537 9.238 4.103 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 -6.027 0.590 3.051 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 13.196 -16.740 10.746 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 7.169 13.657 -14.904 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 -2.217 -8.045 -4.884 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 -1.122 8.963 -22.619 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 -5.486 11.278 4.309 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 -4.796 -5.653 -2.764 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 -4.103 -5.537 1.477 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 3.576 -12.461 16.275 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 -0.666 2.256 0.092 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 -16.705 3.706 -10.856 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 6.505 6.194 -3.071 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 7.879 2.839 1.897 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 5.186 15.173 6.110 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 10.332 -1.334 1.991 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 -2.692 3.270 0.188 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 16.510 -3.986 -3.981 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 -20.374 -5.347 -6.898 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 7.693 4.091 -0.171 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 8.143 4.386 -1.126 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 10.262 13.444 0.215 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 -3.089 -0.552 1.823 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 -0.404 -2.845 12.658 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 5.472 -7.202 -1.461 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 -7.892 -1.847 -4.889 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 -19.453 -26.101 -23.601 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 14.842 28.014 17.991 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 -6.645 -3.273 1.858 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 -6.562 -4.154 7.518 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 -6.773 -4.147 -1.579 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 -8.065 -4.694 -3.677 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 9.921 6.338 3.919 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 -19.022 -16.371 -6.613 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 -3.851 3.064 2.098 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 10.574 -9.487 3.322 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 -1.529 4.071 1.984 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 3.015 6.261 0.788 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 14.063 14.645 -6.500 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 11.140 12.294 -4.561 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 5.215 3.541 -3.620 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 -2.741 -0.921 8.249 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 20.873 -7.143 -42.839 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 1.153 -8.802 2.198 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 -6.857 -11.365 -2.127 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 13.129 -11.207 -14.450 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 -5.383 -0.691 0.453 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 11.578 7.286 38.530 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 13.923 26.914 16.711 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 -0.551 -4.680 -1.758 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 -9.350 -4.700 -16.255 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 5.414 9.389 -10.555 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 -0.579 3.811 2.114 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 4.589 1.879 3.084 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 12.989 -0.750 3.799 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 -3.416 -0.134 1.642 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 6.445 7.979 24.198 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 2.768 -3.702 16.155 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 1.671 5.033 -0.890 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 0.916 3.076 5.308 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 0.442 3.484 4.832 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 -3.226 -4.316 -4.409 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 -7.361 8.574 1.895 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 -1.872 -10.840 -4.281 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 3.166 4.938 -0.636 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 28.319 -4.399 3.426 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 -15.318 12.518 -5.184 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 -1.088 -4.530 0.422 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 -17.091 -23.211 -4.297 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 4.210 15.212 3.193 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 7.526 0.965 -5.787 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 6.406 4.717 -10.453 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 10.961 12.826 -23.101 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 -3.560 1.136 -6.735 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 1.455 0.660 5.494 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 11.160 -15.776 -0.434 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 -9.114 1.975 -5.442 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 -8.140 -9.739 -12.033 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 2.166 6.545 1.203 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 0.996 -0.674 -3.946 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 7.965 5.439 -0.172 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 -1.403 3.068 -12.002 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 -5.599 -0.367 -2.043 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 18.490 -11.437 -11.471 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 -7.830 17.400 1.876 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 6.825 6.704 -4.866 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 7.145 -8.790 15.015 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 -17.339 3.855 -14.993 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 0.578 -0.031 -3.056 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 -11.084 -5.928 -18.666 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 -7.349 16.864 2.722 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 -1.092 13.704 -1.102 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 11.118 27.290 -25.446 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 0.369 3.050 -21.935 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 0.320 0.941 -6.857 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 7.974 7.951 -14.288 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 12.862 1.593 -18.230 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 3.807 -2.148 2.348 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 -4.009 7.968 -0.325 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 7.925 3.577 7.294 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 3.669 7.657 5.249 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 8.441 17.489 9.504 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 -11.383 -3.198 14.621 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 -5.032 -3.326 9.441 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 -4.899 -3.781 9.002 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 -16.628 -4.726 -30.027 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 -2.355 2.599 0.729 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 18.714 -0.003 20.995 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 -18.641 6.854 -2.075 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 3.729 2.481 1.316 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 15.580 30.081 13.437 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 16.993 23.133 1.103 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 -1.203 -9.826 -3.503 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 -4.539 -1.895 -9.806 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 7.596 -5.651 0.135 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 4.411 0.535 4.874 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 14.633 -25.812 -1.178 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 -14.891 -7.776 -4.225 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 0.998 3.828 -1.699 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 0.713 8.406 2.530 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 -22.080 -6.457 4.865 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 -5.931 -4.026 -0.365 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 -14.819 17.338 0.314 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 2.911 -9.249 -13.910 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 -2.489 4.050 11.196 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 0.641 -14.905 5.200 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 24.210 27.562 11.674 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 -1.771 6.997 -3.305 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 3.615 7.869 -11.873 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 26.118 15.143 7.467 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 1.439 -1.631 3.017 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 13.182 -2.362 -2.494 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 1.896 -5.146 14.083 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 8.320 -3.003 6.687 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 1.708 6.321 -0.642 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 21.192 -13.120 -3.465 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 4.707 1.517 -1.616 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 -11.951 2.851 -13.469 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 5.865 5.584 -6.221 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 -0.710 -1.072 0.468 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 9.786 -14.917 -20.726 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 -10.530 -19.217 7.029 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 5.162 2.206 -1.346 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 21.141 -18.038 -13.390 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 24.269 -5.131 9.873 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 -3.183 -3.635 -1.993 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 8.135 16.726 8.150 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 0.065 -3.259 11.986 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 4.066 2.154 -2.691 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 2.498 2.765 -0.842 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 5.876 2.778 -4.089 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 2.753 -1.985 4.601 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 44.220 -12.626 9.948 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 -23.508 -32.760 4.877 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 -3.508 -2.059 0.171 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 3.176 -33.239 -8.857 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 -2.194 7.501 -1.227 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 -0.461 1.437 -2.808 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 -3.321 7.847 6.792 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 4.245 -9.807 0.226 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 10.038 -1.248 -1.607 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 -0.913 0.100 1.466 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 -23.876 -3.505 11.022 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 5.573 4.346 -2.319 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 35.614 -11.623 1.565 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 -20.740 -5.446 -10.193 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 2.041 1.852 11.619 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 9.825 -7.845 2.555 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 -20.271 15.241 -1.028 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 1.949 -3.346 0.686 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 2.606 -13.366 14.577 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 1.509 -4.294 5.534 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 0.188 -3.533 0.469 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 -10.513 -2.898 3.764 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 4.880 -27.134 -14.745 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 -1.038 -2.784 5.721 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 -29.284 0.081 11.599 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 11.367 -7.625 7.479 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 -3.292 0.987 4.315 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 -0.395 5.017 10.690 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 -10.579 -5.694 11.147 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 -4.019 -2.292 2.416 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 -6.290 -5.497 -5.130 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 13.963 0.832 2.147 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 1.233 6.248 7.186 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 1.444 -10.948 8.044 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 0.283 2.326 14.233 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 4.426 5.043 -2.395 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 17.274 3.394 19.607 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 -9.208 -19.212 -17.009 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 0.348 1.401 7.024 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 1.695 1.986 7.564 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 7.309 -5.204 -2.147 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 -1.021 1.216 4.403 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 -15.021 -3.628 -5.393 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 0.679 17.524 -31.864 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 -4.794 2.407 2.415 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 -3.027 7.785 15.048 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 -4.459 3.996 -10.136 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 4.095 0.423 -6.307 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 -4.886 -19.121 -11.538 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 6.130 -2.638 -1.511 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 3.520 -1.614 0.860 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 4.516 -17.942 1.845 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 -3.907 -5.416 5.447 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 -2.514 -0.636 3.419 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 -0.608 -2.001 4.890 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 -11.707 1.938 -2.395 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 3.934 5.881 -9.278 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 -2.451 -7.328 -2.018 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 3.290 -4.833 1.177 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 -4.730 4.797 -0.145 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 11.127 12.698 20.194 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 12.271 11.545 -15.689 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 -0.738 -3.390 -0.613 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 27.755 -12.811 -10.473 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 5.773 -5.500 -3.034 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 5.247 -7.879 -2.262 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 -21.734 -2.965 8.419 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 13.865 10.777 -5.757 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 -0.038 6.669 4.198 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 -3.755 4.475 11.714 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 -5.526 5.431 5.247 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 -3.871 6.751 -0.231 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 -10.195 0.402 9.600 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 7.793 -1.372 -3.587 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 -3.099 0.898 -6.027 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 4.651 -5.427 9.083 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 -18.597 -3.024 -0.924 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 -3.656 2.942 1.560 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 -4.174 2.518 1.382 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 -3.454 36.665 2.136 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 -2.476 1.601 -2.132 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 -1.800 3.616 -4.127 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 -2.602 0.855 -2.265 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 4.049 0.751 4.823 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 -2.661 9.125 5.583 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 3.079 -2.184 7.850 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 0.666 -4.145 1.405 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 -9.172 -0.670 2.384 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 -3.440 1.337 7.534 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 6.640 1.507 -0.616 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 11.001 9.426 -10.266 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 -5.516 4.091 -1.398 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 1.534 2.920 0.930 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 5.540 1.989 -13.295 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 -8.186 -9.888 7.106 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 -5.455 1.684 -4.281 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 -5.919 -13.920 5.934 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 -24.962 2.900 -3.633 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -8.187 3.103 4.010 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 3.966 2.788 -1.075 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 -27.067 1.978 -3.621 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 -2.938 -0.836 -1.836 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 -6.265 6.998 9.651 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 -8.179 6.962 6.773 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 -4.383 -6.022 1.683 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 -6.472 -28.508 -3.877 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 -0.358 2.823 2.499 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 -4.483 2.321 -4.387 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 5.101 -0.631 -5.696 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 -18.960 -2.158 -7.518 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 -2.739 -6.590 -1.781 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 -4.957 -5.428 -15.036 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 -1.330 -13.043 7.174 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 -0.722 -5.580 3.565 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 -15.378 -2.026 2.568 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 -2.234 -1.781 0.844 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 0.364 -4.525 3.307 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 0.989 5.959 -3.042 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 3.189 6.264 0.087 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 -1.875 1.639 5.734 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 -18.796 25.917 -19.766 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 9.172 -36.561 -8.298 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 0.739 9.895 1.316 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 -17.498 8.680 13.044 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 12.183 20.368 -26.908 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 -2.640 -3.231 -3.574 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 -0.339 -10.018 27.127 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 13.587 -21.650 -16.606 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 -1.277 -5.872 1.589 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 15.696 4.483 -1.603 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 -8.873 17.097 11.637 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 5.873 -4.385 2.645 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 -2.598 17.647 2.498 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 -10.402 5.542 3.886 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 -4.009 -4.541 4.487 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 12.125 -2.030 1.698 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 2.723 20.618 0.396 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 -2.020 3.351 -0.313 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 -6.312 11.490 -4.728 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 27.716 -42.893 9.530 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 -4.401 -0.523 -5.209 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 -6.759 4.298 6.702 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 10.632 10.363 4.984 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 4.946 -1.755 3.734 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 2.537 -3.048 -2.860 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 15.362 -0.429 21.087 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 2.655 2.388 -4.386 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 18.745 9.647 -10.009 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 13.407 -4.662 2.213 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 0.008 4.767 -1.426 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 4.485 6.079 12.065 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 -3.972 5.105 -35.272 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 -2.456 -3.130 -1.485 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 23.021 -12.100 -3.509 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 5.546 -5.981 -15.552 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 3.229 5.212 -0.203 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 -1.934 -11.142 -0.254 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 -16.517 22.450 -1.294 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 2.088 -5.964 -2.376 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 3.383 -3.136 -16.333 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 -1.312 -11.178 8.677 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 -2.929 4.422 -0.964 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 21.161 27.238 -17.244 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 6.389 6.315 -25.307 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 -3.362 -5.807 -2.825 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 -0.455 2.893 -5.357 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 12.409 -6.441 -26.630 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 0.438 7.320 0.824 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 2.574 7.347 0.021 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 -1.073 6.100 -0.716 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 4.286 -1.386 0.304 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 8.985 -4.189 14.220 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 9.371 -8.710 3.784 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 -3.533 -2.994 0.440 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 -1.324 -7.648 -3.480 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 -5.547 2.810 -2.987 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 0.917 -0.340 -0.262 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 1.185 -2.432 -20.630 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 -13.177 -14.057 -5.518 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 -1.822 6.301 1.271 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 -10.386 15.752 8.119 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 -2.935 7.425 -10.559 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 -1.738 0.363 2.015 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 -0.348 5.116 -9.645 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 -2.775 0.943 8.075 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 -1.014 -8.518 -4.053 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 -24.832 7.371 16.570 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 -14.258 6.524 29.144 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 3.146 0.060 0.569 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 4.704 -6.299 -0.069 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 2.506 -23.437 -1.457 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 3.336 2.577 -3.348 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 1.032 -6.060 -5.713 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 16.515 4.727 -8.370 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 1.614 0.874 6.476 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 11.480 -1.345 10.737 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 7.708 -18.100 -12.461 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 -7.977 4.129 -2.140 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 -11.125 4.248 1.884 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 -2.538 19.752 -6.428 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 -2.905 7.212 -2.036 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 16.104 -4.570 7.371 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 -37.026 -19.354 0.872 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 4.465 1.871 -1.003 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 -19.646 9.830 1.263 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 -5.495 -25.032 11.452 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 -2.690 1.228 3.439 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 -8.442 -15.756 10.348 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 -4.742 -4.560 18.076 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 -3.080 5.485 2.094 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 -3.465 -17.086 20.427 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 -10.447 -0.773 13.807 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 -2.614 -1.157 5.333 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 19.323 -9.288 0.324 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 3.676 -6.083 4.132 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 2.792 -6.987 -0.153 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 -17.543 17.604 4.096 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 3.576 5.975 -1.342 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 6.371 3.970 -2.148 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 5.245 7.255 2.232 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 9.479 -14.798 -11.478 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 2.324 -4.707 -1.193 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 -0.219 -9.398 -0.338 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 4.461 -3.867 -6.955 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 -0.309 -3.630 3.678 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 -3.458 -1.903 -7.486 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 -1.929 -5.049 2.555 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 1.709 -5.793 4.431 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 22.358 -1.015 -2.026 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 3.959 2.768 4.991 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 4.392 -3.283 5.420 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 3.460 -2.187 -13.811 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 8.157 -10.064 26.588 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 2.254 -3.370 -3.900 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 -2.920 -10.714 2.970 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 -3.586 -19.994 -8.245 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 3.244 -0.684 1.470 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 -6.507 3.670 -2.656 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 12.002 -5.283 3.207 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 8.634 0.204 1.368 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 11.754 -2.599 5.996 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 -0.439 -2.452 -16.901 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 7.457 6.616 3.496 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 0.945 3.649 -3.105 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 20.024 -18.064 -8.409 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 1.153 -0.716 2.550 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 8.791 3.364 1.152 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 15.469 -12.868 15.974 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 -0.313 4.294 2.476 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 5.340 9.188 -2.156 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 -10.246 -0.014 12.765 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 0.813 1.578 3.034 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 -0.459 -5.088 -0.323 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 0.802 17.024 10.492 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 -9.190 -6.927 1.232 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 2.466 -4.744 -15.674 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 3.283 -7.298 11.822 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 -1.539 -3.387 3.048 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 -16.849 5.842 18.730 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 -15.094 -22.451 -2.615 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 -3.818 1.895 5.101 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 -20.195 -1.441 25.333 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 -1.269 3.214 -0.222 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 0.035 -3.439 -2.878 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 2.214 -17.047 -20.996 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 -11.804 11.674 -8.959 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 -1.558 6.125 -0.659 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 -11.026 -0.307 -17.627 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 14.010 8.938 4.738 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 -0.352 -0.814 0.469 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 0.489 2.056 -6.946 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 -7.214 2.052 2.813 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 -2.928 2.875 -1.757 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 3.356 35.986 -5.351 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 15.783 -29.025 14.909 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 3.914 0.515 4.007 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 6.042 18.404 16.048 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 -5.565 -23.391 -8.879 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 10.556 1.067 1.638 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 11.537 0.373 -0.074 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 11.522 -0.719 -1.599 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 -3.239 -0.319 5.322 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 -5.461 -8.365 -2.732 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 20.958 8.777 -2.327 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 -2.849 3.171 -3.241 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 7.578 -3.360 -2.189 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 7.833 0.297 -2.516 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 -2.911 -2.007 3.254 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 20.040 -20.750 9.040 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 -7.814 12.461 -30.304 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 7.146 -6.608 -0.726 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 3.685 -7.798 -14.390 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 -1.288 2.734 -4.158 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 3.440 -2.750 4.440 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 28.398 -9.130 5.170 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 -21.810 7.293 4.217 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 4.660 -0.012 -1.025 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 0.915 -3.434 0.790 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 -17.792 -14.751 -0.482 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 5.982 0.700 -5.677 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 12.516 -19.041 -12.680 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 -7.059 -20.241 0.682 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 -5.098 -5.583 3.327 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 -20.743 29.055 33.729 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 16.605 10.092 -10.165 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 1.131 -2.908 1.999 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 17.250 6.614 -1.447 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 -1.679 -6.216 -0.460 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 5.391 -2.828 -3.684 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 -13.991 1.067 9.937 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 0.449 -4.316 16.833 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 -4.545 0.870 -0.991 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 -3.527 -12.530 7.902 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 5.567 -1.624 -13.122 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 -2.367 -11.304 0.348 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 -2.459 -15.191 15.323 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 7.583 -15.203 -5.511 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 -0.870 0.632 1.310 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 -1.187 -4.486 -4.256 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 3.889 6.023 0.764 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 1.342 -0.558 -3.081 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 0.626 -2.160 -16.147 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 6.122 -1.051 23.692 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 -2.255 2.252 6.306 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 2.886 -5.743 -19.967 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 0.420 3.320 16.506 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 3.849 3.934 4.910 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 9.272 -0.302 3.063 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 13.634 1.384 2.617 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 3.417 -0.227 2.324 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 -13.926 12.474 3.419 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 4.361 -3.162 19.479 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 1.289 -2.407 -0.496 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 1.390 -1.528 -4.520 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 -3.988 5.211 4.277 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 -6.979 -1.882 0.264 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 13.076 -11.378 -13.515 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 -21.335 -3.332 -2.058 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 0.762 -3.933 -2.434 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 -16.547 -2.991 25.115 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 -12.211 -35.249 -25.450 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 -0.759 1.330 1.418 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 -7.904 -3.918 -4.494 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 6.682 4.311 -6.152 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 -1.666 9.220 -1.736 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 13.481 7.026 -11.645 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 -5.265 -7.775 -11.373 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 -5.476 1.563 5.296 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 -15.946 5.902 3.108 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 5.283 -2.458 7.968 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 -0.281 2.874 -1.762 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 -23.947 28.082 -8.690 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 25.569 -5.577 9.396 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 -3.108 5.059 -2.038 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 -0.746 -9.770 -0.855 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 -8.176 17.619 -0.147 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 3.496 1.750 1.016 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 8.568 -17.629 14.872 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 -9.152 12.907 -8.957 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 -0.741 0.398 7.151 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 0.154 7.045 10.558 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 11.591 0.994 -4.548 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 4.678 4.228 -4.384 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 11.838 -8.863 -12.527 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 7.079 -6.428 -3.652 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 1.122 -1.645 3.980 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 3.265 10.578 25.221 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 1.015 -6.759 -12.292 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 -1.133 4.533 5.862 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 9.145 4.400 19.198 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 1.941 17.066 0.172 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 -1.047 5.560 2.526 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 -1.123 16.170 7.274 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 6.017 -8.941 -3.412 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 -7.930 5.125 3.192 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 -4.594 1.064 7.471 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 -4.048 1.606 7.434 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 -5.371 0.904 -0.960 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 -0.595 8.792 -13.362 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 -9.567 -9.995 -10.391 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 -4.767 2.032 2.487 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 18.569 -2.453 -8.256 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 -20.217 5.112 2.147 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 2.994 -4.951 -1.068 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 -5.693 -9.048 -17.456 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 17.072 -30.887 3.219 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 6.918 0.324 0.968 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 22.965 -9.661 -26.325 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 0.724 0.139 4.864 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 2.578 -0.772 0.609 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 -9.534 13.207 0.107 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 0.809 -6.278 11.572 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 -5.128 -0.486 -1.953 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 -0.078 -17.126 3.121 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 17.602 9.129 -8.301 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 1.445 -9.690 2.961 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 -17.096 4.388 21.065 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 6.417 -18.819 -1.597 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 2.943 -5.365 1.598 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 -3.195 25.549 -17.721 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 6.124 5.753 -27.188 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 2.045 -2.435 1.240 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 -2.626 -6.364 -12.719 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 16.719 -6.590 1.320 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 -4.654 2.105 3.129 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 12.704 -9.063 -3.564 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 -8.001 3.667 -9.976 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 -1.780 0.225 -0.224 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 -2.319 14.356 -10.914 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 3.916 13.871 2.500 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 -7.548 2.319 2.242 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 0.858 -11.049 -0.890 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 -17.737 4.072 9.284 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 -5.200 7.801 -2.200 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 1.574 -6.886 3.723 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 7.918 -1.015 -1.246 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 -3.645 -1.579 -2.538 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 0.103 0.082 4.187 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 -8.248 -10.816 3.393 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 -0.606 -1.377 -5.549 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 -8.732 -12.633 -13.986 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 12.273 12.526 -4.025 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 -0.328 2.907 -0.705 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 3.208 26.940 3.857 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 -8.225 2.395 3.182 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 -4.688 -2.178 2.239 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 -12.345 -6.829 -15.369 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 0.455 21.242 14.768 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 1.838 2.240 6.539 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 -6.009 1.825 8.762 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 6.283 3.722 12.958 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 -8.739 -1.364 4.759 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 -11.488 17.245 3.458 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 -10.100 12.037 6.405 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 -1.717 4.425 0.901 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 -2.131 0.735 -6.178 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 6.685 -0.459 11.516 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 1.606 -1.967 -0.006 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 1.426 -8.220 -2.604 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 4.630 2.113 12.279 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 6.739 0.277 1.942 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 -3.259 25.339 -4.030 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 12.684 13.584 6.664 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 1.633 -1.458 1.884 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 8.438 -2.778 22.213 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 0.005 11.899 5.183 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 -1.191 9.522 1.945 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 10.417 7.871 0.930 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 -4.817 10.151 -0.546 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 -2.990 -5.075 0.062 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 -0.881 -6.914 2.510 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 -16.334 16.066 -3.921 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 6.908 6.302 -2.668 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 8.910 -6.525 -0.642 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 17.307 -4.009 -5.347 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 -2.413 -1.554 4.188 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 -8.101 -13.851 -6.643 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 18.934 15.741 -4.302 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 4.378 -3.658 4.766 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 -21.118 8.988 -18.626 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 15.036 6.817 -7.197 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 -5.187 2.175 -3.701 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 5.970 1.973 5.627 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 -2.213 13.943 -19.220 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 0.422 9.163 -1.198 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 17.864 9.192 17.090 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 -17.348 11.993 11.139 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 -1.108 0.801 -5.427 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 -12.949 8.670 2.743 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 -0.838 7.522 12.840 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 1.663 1.185 2.034 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 -16.796 -11.396 -25.185 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 -15.722 7.331 18.092 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 -6.842 -0.205 9.523 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 -9.015 0.873 -3.941 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 -7.363 9.438 19.004 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 5.628 -4.407 1.725 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 2.499 -19.545 -7.562 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 23.078 -18.984 -1.158 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 0.531 -7.128 3.410 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 -18.188 4.732 14.846 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 -2.733 -7.355 -2.520 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 1.534 -2.600 7.345 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 1.238 -1.180 11.728 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 3.716 -6.578 7.960 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 3.361 0.707 1.194 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 7.618 -10.792 14.631 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 -17.275 -2.674 -11.414 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 -0.855 -3.590 -3.525 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 1.527 -12.872 -21.814 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 -26.589 5.376 -3.891 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 -3.688 -9.279 -1.395 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 6.337 -25.457 -17.448 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 15.212 3.422 9.396 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 4.676 2.474 4.514 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 -7.163 2.879 -7.076 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 -11.201 9.058 -15.885 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 -0.825 -2.102 -1.782 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 -3.447 -18.704 -14.050 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 -14.131 9.299 -8.664 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 -3.782 2.821 3.613 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 21.597 -19.452 -3.487 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 -16.694 -11.290 -12.289 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 -1.057 -9.238 1.346 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 -7.496 7.339 1.730 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 -9.057 28.479 -6.422 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 0.785 5.048 4.775 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 -10.934 6.642 5.345 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 5.848 -16.958 -5.861 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 -0.238 -6.466 3.396 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 -1.957 -7.812 2.737 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 12.105 -6.792 4.043 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 -3.574 1.855 2.760 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 5.320 -5.079 15.039 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 -8.052 -23.524 -5.544 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 0.657 -6.970 -7.082 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 7.399 -11.587 -10.452 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 0.719 -9.637 2.848 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 -0.160 0.633 -4.012 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 7.211 16.269 -9.841 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 7.931 4.552 10.377 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 -6.108 -1.511 4.980 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 3.754 5.899 8.321 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 -5.056 -14.792 5.604 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 4.284 -5.149 1.442 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 -12.653 9.865 -6.059 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 13.224 -1.582 -0.273 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 -3.431 7.097 -2.129 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 -3.223 1.390 -9.109 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 -17.000 13.210 -1.776 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 -3.742 -3.123 5.916 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 -8.783 -5.254 4.721 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 -24.375 13.979 14.472 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 -4.938 -0.522 2.684 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 6.506 -0.539 31.858 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 15.507 -1.757 -12.212 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 -0.750 2.348 -5.290 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 8.320 22.335 -9.984 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 -26.129 -26.815 -10.363 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 2.358 0.815 1.629 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 18.627 3.997 1.280 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 7.415 9.785 11.622 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 3.989 2.918 -4.196 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 -0.451 2.377 -7.790 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 7.680 1.077 -2.594 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 0.226 -4.601 -0.309 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 4.402 -5.899 -22.681 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 1.111 19.728 15.277 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 1.425 2.344 5.577 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 5.784 5.536 0.935 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 6.538 -1.034 10.620 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 3.608 1.653 -0.933 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 27.930 29.084 -26.632 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 -13.927 -7.847 -22.862 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 -0.827 -2.014 4.515 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 -0.842 3.517 -0.366 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 -5.157 -7.029 1.311 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 2.737 -3.659 -5.517 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 -3.875 -4.926 -20.695 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 18.749 16.818 -9.489 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 2.465 1.794 -2.747 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 17.511 -24.707 4.601 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 2.042 -19.322 3.838 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 -3.128 0.308 0.329 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 -16.822 -18.884 11.821 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 -1.135 13.363 -13.078 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 1.684 1.282 0.195 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 -7.339 25.467 7.295 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 -11.663 7.238 -11.890 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 -2.719 4.062 4.652 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 -4.686 9.406 -4.415 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 -5.375 4.907 2.118 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 -2.679 -0.487 -1.667 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 -16.088 17.597 -1.890 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 5.737 -8.744 -3.040 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 -0.269 -0.207 -1.283 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 0.455 10.317 4.349 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 7.476 -6.299 -8.470 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 2.234 10.815 1.088 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 -3.910 -4.717 -2.644 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 1.273 7.194 -1.716 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 2.252 -1.602 -3.772 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 -4.243 -3.887 2.093 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 -0.710 -2.923 -6.677 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 -0.442 -0.683 -7.443 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 -4.140 4.113 -13.763 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 -0.643 1.281 -7.432 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 2.926 6.268 -0.882 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 -3.592 6.507 12.321 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 -27.589 -8.955 3.531 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 7.392 5.239 -0.731 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 10.737 34.679 3.745 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 -12.313 -0.114 6.718 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 3.937 2.646 -1.497 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 3.172 8.573 -5.707 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 3.410 -0.731 -3.785 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 1.907 8.692 3.541 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 -2.669 15.599 2.952 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 14.329 -8.282 6.575 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 0.266 -2.538 -0.213 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 0.265 -7.053 -4.397 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 2.645 8.231 1.615 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 1.133 -1.890 -5.089 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 3.310 0.751 -3.460 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 9.534 -3.420 8.007 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 -2.132 2.942 2.820 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 -0.747 -6.099 11.689 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 -3.562 6.799 -1.819 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 -4.670 -2.812 -4.236 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 -8.067 -4.713 2.324 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 -13.215 -0.188 -1.826 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 -0.094 -0.010 -5.868 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 19.214 -1.364 -1.160 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 2.546 10.036 8.531 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 -6.902 4.256 2.235 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 -9.456 -1.829 14.477 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 6.524 2.060 0.263 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 0.876 -2.781 -0.271 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 2.491 13.306 5.088 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 -16.785 -12.818 2.775 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 -9.362 4.202 6.426 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 1.586 8.925 10.979 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 -10.365 -3.911 -3.994 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 -5.197 0.484 -1.982 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 30.028 10.513 0.385 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 1.660 1.771 1.009 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 -0.942 2.052 -3.421 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 0.892 -13.157 1.765 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 -6.159 4.105 -12.685 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 2.570 -2.085 2.055 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 3.533 -13.416 -1.505 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 2.481 12.199 12.829 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 0.532 -2.818 -5.617 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 13.838 9.981 -12.299 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 -5.537 -4.971 1.566 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 5.859 -1.800 5.120 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 7.511 -17.606 -15.497 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 20.740 -21.520 4.656 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 1.688 -1.090 3.012 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 4.349 -26.484 9.889 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 -6.880 -1.258 20.550 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 -5.850 0.501 0.813 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 6.493 -6.225 -4.610 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 -23.192 -0.141 17.044 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 0.867 -0.454 1.017 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 -12.998 -13.275 19.103 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 5.703 1.962 18.309 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 -0.346 -6.286 -0.762 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 -1.389 5.054 0.546 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 -3.108 -3.832 -2.571 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 -0.831 -4.936 -1.637 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 5.265 20.396 7.575 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 -3.567 -2.818 17.486 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 -3.211 0.520 6.182 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 -27.499 -6.443 -11.676 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 -5.927 -17.934 6.753 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 0.542 0.784 2.543 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 3.164 -2.086 12.502 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 6.157 11.174 2.101 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 1.448 -2.205 -3.667 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 2.141 3.569 -1.291 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 10.135 -3.931 -0.275 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 -7.947 -3.268 1.803 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 -7.458 -8.737 -4.081 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 -8.053 -9.985 -28.159 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 -0.649 0.440 -1.869 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 -18.971 -6.988 0.728 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 19.042 4.205 0.677 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 0.461 -4.060 4.135 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 -1.540 -5.687 7.430 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 2.742 -4.381 2.964 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 -2.015 3.104 -4.516 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 -4.837 10.200 -8.691 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 2.843 -11.523 7.523 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 -1.760 11.901 -3.859 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 -17.560 -10.569 -14.183 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 20.903 1.991 23.055 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 5.858 -4.458 -2.893 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 -18.626 -19.164 -11.370 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 12.484 -2.051 -0.643 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 0.432 2.017 0.559 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 3.096 11.294 1.335 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 -0.358 6.379 1.307 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 0.258 10.330 2.835 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 -16.180 16.252 -5.471 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 14.093 23.794 -1.230 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 -2.818 -7.892 0.041 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 -18.778 -9.047 -1.583 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 9.622 -7.472 5.077 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 -2.439 -1.746 -1.580 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 3.145 1.404 4.580 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 -13.059 -11.592 14.346 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 3.275 -1.756 -0.423 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 0.122 8.976 23.206 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 -20.842 -9.065 15.576 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 1.267 3.867 1.966 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 9.622 19.747 -7.150 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 15.669 5.732 -11.670 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 4.449 -0.483 -0.498 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 23.020 9.416 2.859 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 -2.385 0.252 1.737 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 5.292 -0.856 -5.800 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 -0.629 21.348 10.813 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 3.466 12.446 6.692 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 -4.550 -1.667 0.233 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 21.189 -10.698 20.176 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 2.057 0.779 -0.905 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 -1.202 -6.097 -0.885 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 -16.424 3.973 -17.813 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 -4.635 -8.471 23.984 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 5.178 5.281 -6.174 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 0.503 25.312 -2.504 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 0.060 12.677 -7.061 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 -2.085 -3.238 1.520 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 -25.809 -7.644 26.143 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 -7.599 -0.128 -24.860 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 0.456 1.015 -6.066 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 3.469 -7.044 7.269 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 -7.383 11.612 -30.849 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 -3.076 0.194 -1.344 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 15.321 -4.196 -13.481 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 -11.026 -21.115 -2.583 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 3.193 5.273 -0.812 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 -25.822 17.565 7.130 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 4.072 13.693 19.659 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 -1.436 1.977 -3.319 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 -15.578 1.539 -0.131 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 -10.546 3.516 4.114 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 3.150 0.585 -2.058 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 9.527 17.517 4.613 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 31.540 -10.074 10.483 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 -2.037 -0.176 2.371 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 -7.217 17.856 -6.857 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 5.591 -6.820 1.966 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 8.643 -4.450 -7.920 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 19.807 -11.968 -2.393 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 3.290 -1.345 -10.360 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 -7.375 5.169 -2.473 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 -1.859 15.339 4.832 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 -20.395 6.471 2.373 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 -2.133 -0.416 -7.513 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 8.944 -8.591 -4.309 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 -7.845 -10.690 -6.800 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 2.785 -2.320 0.847 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 11.916 27.427 -8.346 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 0.734 6.902 6.149 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 3.672 -0.159 -4.238 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 -2.989 1.018 2.480 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 0.959 -31.259 -5.215 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 -1.962 0.846 4.334 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 32.378 -10.049 9.422 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 10.445 -0.348 3.589 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 2.402 -1.755 5.374 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 6.816 -2.222 1.023 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 -3.148 -1.376 9.246 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 -1.159 0.868 2.488 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 0.447 0.944 -16.198 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 -15.799 6.122 8.539 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 -2.457 -2.096 1.048 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 11.129 1.874 15.220 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 6.457 0.863 4.588 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 6.861 -4.131 -6.081 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 -19.145 -7.733 -10.890 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 1.712 5.770 -6.655 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 11.043 -5.194 1.348 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 0.770 -16.701 -6.528 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 5.986 -8.671 -2.486 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 -1.466 -0.550 1.586 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 -6.998 -0.033 -1.258 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 -12.119 9.573 -6.114 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 -0.361 2.706 5.676 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 -0.620 18.797 4.745 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 -3.542 -3.549 2.938 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 4.705 -5.648 -5.695 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 13.248 -9.439 -22.402 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 -23.656 26.493 -5.437 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 -1.969 -10.849 0.519 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 -20.800 1.903 8.817 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 -11.224 1.565 -2.076 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 -1.718 -1.251 5.394 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 -7.165 -9.667 0.370 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 -20.776 -3.677 -8.273 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 3.724 0.345 -8.783 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 6.576 14.523 -9.079 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 -3.529 -2.911 6.544 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 -2.807 7.804 -1.730 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 11.792 -5.789 -9.501 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 5.092 0.043 -4.374 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 -8.913 2.898 0.470 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 -7.187 9.121 0.986 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 -14.605 -4.455 6.198 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 3.299 1.122 4.831 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 -9.102 -8.002 -6.460 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 13.711 14.661 -5.554 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 5.037 -3.386 -0.670 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 4.767 -7.087 10.053 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 1.335 -14.669 -5.033 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 2.621 -5.211 5.020 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 27.051 -15.623 -12.543 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 8.237 -13.567 11.023 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 2.307 -8.164 2.680 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 6.366 -10.475 -6.711 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 28.357 -12.674 -4.252 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 -1.384 2.993 -3.445 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 -3.946 1.210 8.818 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 -0.747 3.186 -1.222 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 -2.030 -2.804 -1.234 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 1.209 -10.282 -2.560 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 7.679 -19.703 1.649 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 -1.725 3.820 1.660 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 -4.910 -4.519 21.329 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 0.767 33.415 21.663 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 6.474 -8.553 -1.097 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 1.990 -1.165 -9.779 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 5.050 -5.679 -3.403 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 3.853 -5.057 -7.222 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 -23.393 -6.215 -15.675 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 18.038 -11.014 4.780 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 1.445 -4.703 -1.701 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 9.456 2.514 8.116 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 -8.086 4.431 -7.562 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 -0.390 3.404 3.617 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 -2.055 -13.545 18.352 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 7.995 -6.088 -15.650 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 5.146 3.401 -6.383 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 5.913 7.124 -10.870 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 -6.685 -2.123 8.566 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 1.657 -5.979 1.930 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 9.283 12.937 -15.312 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 11.658 -18.920 19.267 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 -7.541 1.313 -0.501 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 -11.473 -1.408 -5.221 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 -13.521 -3.311 12.839 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 5.379 -6.749 0.901 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 4.217 12.489 -26.667 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 7.414 2.044 -4.268 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 0.466 -1.629 5.467 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 2.844 -3.735 3.199 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 2.283 -0.036 3.393 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 -0.911 -9.850 -4.375 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 -16.861 -13.663 -6.450 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 0.360 8.423 -10.942 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 0.181 -3.063 1.335 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 0.115 0.588 2.873 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 -3.203 -0.504 3.265 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 1.339 3.753 -2.478 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 1.255 -0.507 -6.644 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 3.412 4.684 12.078 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 -3.532 -2.173 -2.724 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 5.782 -0.398 15.163 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 16.340 4.308 -11.775 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 -0.610 0.253 -0.137 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 -8.317 4.675 15.470 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 -31.885 23.623 -10.606 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 3.887 7.181 -1.727 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 5.153 -24.278 -12.709 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 -0.414 -0.081 -8.076 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 -3.220 1.685 -1.473 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 -24.046 -12.553 -14.583 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 0.114 -15.404 -2.591 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 -1.583 0.344 5.581 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 4.054 13.483 1.661 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 -2.494 -20.954 2.499 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 -5.139 0.061 5.251 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 -17.999 -17.789 -23.886 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 -5.974 -16.751 -11.082 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 -8.277 -1.944 4.150 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 -16.243 -22.175 -12.900 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 -2.464 -25.255 4.306 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 -3.685 2.482 1.135 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 -2.405 -12.038 -18.731 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 -2.125 -5.909 11.855 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 3.495 6.608 3.920 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 -6.934 -17.975 12.172 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 14.240 -15.954 -5.008 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 -3.539 0.501 -0.705 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 -9.583 10.406 0.856 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 6.878 -17.787 -10.246 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 -7.810 4.373 -0.094 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 -2.836 6.441 1.532 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 -9.220 0.902 -4.479 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 2.853 -0.771 -0.183 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 -0.165 -14.533 10.156 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 11.868 10.349 -7.566 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 2.723 2.197 1.049 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 -6.638 -4.288 -6.032 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 20.019 19.700 8.399 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 6.408 -1.511 3.100 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 -4.678 -3.834 -3.165 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 11.230 15.331 -4.662 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 2.772 -0.397 9.935 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 -4.883 4.363 -2.873 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 -18.390 7.896 -17.497 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 1.628 1.653 -0.384 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 -0.235 -5.755 -1.610 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 11.228 1.368 -10.937 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 -7.893 -2.204 -4.834 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 -9.368 -8.958 -13.277 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 -7.072 -6.596 -2.164 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 3.775 -0.565 0.798 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 18.169 -2.765 11.640 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 -13.027 3.019 -20.129 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 -3.708 1.530 -6.112 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 0.045 1.349 -9.957 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 5.853 10.506 -25.293 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 1.417 3.559 5.342 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 8.745 -11.253 6.066 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 4.511 -3.499 -9.021 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 -2.172 -1.326 -3.727 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 17.038 -0.153 8.029 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 -27.752 -5.263 -4.100 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 -7.377 -1.800 5.612 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 6.814 -23.603 -4.443 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 -21.341 -0.518 11.586 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 8.308 -0.559 -3.213 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 -22.113 -10.590 1.056 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 -11.350 -3.344 -4.103 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 -6.604 0.416 -4.938 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 2.986 -0.841 -13.999 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 -9.128 -3.755 -15.808 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 -5.418 2.044 -1.499 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 -7.540 7.528 -2.130 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 -14.083 2.721 -21.286 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 3.445 3.082 0.396 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 10.899 -2.772 -6.384 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 5.142 2.356 -1.560 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 2.572 4.183 3.414 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 3.630 3.846 1.488 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 0.019 0.844 5.482 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 0.566 4.420 2.257 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 23.420 -1.792 1.433 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 1.927 6.604 -13.623 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 -2.796 2.063 2.240 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 -3.875 3.651 5.826 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 17.900 7.566 -7.296 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 1.236 0.055 1.213 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 -7.122 -13.004 -15.021 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 -5.934 2.112 -2.230 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 6.141 -0.971 7.507 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 2.898 -4.293 4.797 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 21.468 16.094 15.463 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 -7.471 -0.621 -5.803 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 -14.683 -8.766 0.436 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 -13.978 16.903 -3.481 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 4.455 -3.194 0.242 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 5.273 -10.362 -2.976 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 -0.737 4.163 12.689 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 -6.688 1.560 4.302 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 12.284 1.378 10.034 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 -5.863 12.842 -18.661 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 -5.650 6.511 2.525 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 2.090 -8.070 27.280 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 -10.940 21.486 -8.074 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 4.107 1.429 4.876 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 -6.053 -6.326 -11.977 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 5.434 -2.734 3.621 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 3.679 2.847 -5.048 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 -13.317 23.053 12.123 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 11.857 -10.789 4.115 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 -3.073 4.082 -2.433 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 -6.816 0.847 -5.222 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 4.105 -5.793 10.636 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 -3.755 -7.472 -1.653 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 -7.473 -12.875 14.186 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 -0.851 5.605 -7.071 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 3.782 1.863 2.819 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 6.343 -1.401 -4.450 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 8.818 -7.725 -9.205 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 7.358 -0.999 4.401 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 5.672 13.586 20.773 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 9.585 -4.296 9.267 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 -2.903 -5.117 7.647 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 10.940 -5.947 -2.762 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 -7.479 -14.480 -17.984 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 0.681 1.787 2.003 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 4.507 -12.490 -2.575 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 -9.726 1.111 21.825 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 -3.384 -0.812 -8.766 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 8.535 22.188 -15.310 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 7.689 7.121 1.738 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 2.940 0.665 -1.090 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 38.086 4.966 -1.504 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 -5.818 -32.423 -9.926 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 4.891 -4.371 -2.780 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 4.365 -3.747 -7.078 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 22.233 0.966 -11.661 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 6.879 1.008 -0.137 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 2.282 -1.823 33.494 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 0.210 -16.551 3.227 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 3.817 0.696 -4.386 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 -5.166 -10.534 -12.702 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 -4.118 -7.902 -3.956 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 -6.215 8.136 -0.498 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 17.851 -1.756 -16.907 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 -6.908 -19.186 7.023 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 -4.558 -3.039 -0.151 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 -1.300 -1.009 -10.931 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 -17.608 3.242 10.821 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 -1.544 4.235 -2.403 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 4.591 7.469 -12.415 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 7.248 7.874 9.836 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 -4.285 -1.096 -2.063 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 -3.444 -4.956 -2.824 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 -6.134 -6.908 -2.103 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 0.659 1.877 -3.887 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 11.516 -8.344 13.491 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 -7.791 -4.738 -7.483 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 0.776 -5.114 -4.435 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 -1.818 41.735 3.406 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 0.055 2.166 -2.794 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 0.749 -3.701 -1.157 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 14.120 -0.830 -17.891 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 -10.355 19.458 10.591 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 -2.638 -3.896 -3.154 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 -2.358 8.428 10.592 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 -11.253 -18.544 -6.872 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 -4.972 -1.300 -3.665 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 -10.894 -6.387 7.211 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 -4.618 8.400 -6.079 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 1.869 1.095 1.513 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 -5.843 -17.660 14.395 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 12.015 9.467 -5.913 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 -0.069 -2.015 0.345 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 -0.602 11.584 16.227 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 -17.836 -9.584 -0.549 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 0.635 -0.366 -1.657 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 -11.268 -1.414 21.489 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 -6.177 23.400 -11.520 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 -0.626 -2.252 5.908 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 2.070 28.080 17.331 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 -6.109 -18.641 -22.975 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 4.953 -5.384 -3.806 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 -6.689 0.139 -7.256 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 12.571 -9.283 -2.340 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 4.397 -1.655 -2.635 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 10.915 -3.890 30.082 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 20.398 7.050 -20.896 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 -1.928 6.504 9.822 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 -5.875 -8.571 18.887 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 -3.124 4.236 12.196 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 -0.055 -2.344 -3.160 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 -0.719 -6.012 3.442 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 13.236 -2.328 10.837 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 -3.230 -0.679 -2.224 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 24.416 -25.700 9.482 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 -3.881 1.559 -4.698 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 3.648 -0.854 1.914 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 2.238 1.478 1.477 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 4.427 -2.472 2.327 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 0.337 0.522 -3.232 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 -9.190 -12.811 -1.029 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 -3.634 8.506 10.188 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 -0.480 -0.370 0.040 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 -7.162 -5.306 -13.987 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 -12.594 -2.532 11.130 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 3.792 2.741 -12.432 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 7.916 6.346 -13.617 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 6.705 1.474 -14.952 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 0.584 -1.060 5.476 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 -9.743 -9.875 7.577 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 -1.040 -4.320 3.825 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 -2.590 -0.814 -2.544 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 11.210 -16.735 4.146 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 -16.606 9.145 -4.990 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 -0.753 0.465 -0.121 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 1.607 -5.833 4.051 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 2.699 0.630 9.386 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 0.768 -4.931 0.277 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 -2.031 -13.909 -3.358 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 -11.246 3.570 -2.544 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 1.392 -3.728 2.807 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 1.926 -0.818 -0.906 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 -1.017 -2.727 3.674 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 2.125 1.398 -0.174 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 9.012 5.608 -6.561 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 -1.620 12.439 -4.653 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 4.622 2.657 6.105 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 22.370 3.132 4.226 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 -6.209 16.444 -0.988 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 0.858 -3.428 -0.936 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 -9.679 -6.062 -5.353 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 -0.748 5.551 4.010 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 -4.595 -0.029 0.042 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 4.356 2.288 5.800 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 -4.704 -13.001 5.227 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 5.550 -0.431 3.376 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 -7.817 -11.897 -20.350 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 15.959 7.618 13.751 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 -0.201 -3.174 -9.379 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 -0.411 -2.996 2.012 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 -2.452 -6.474 -7.642 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 5.522 -0.303 6.417 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 7.026 0.002 6.305 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 6.830 0.327 7.405 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 0.789 1.194 -5.390 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 1.859 12.282 0.038 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 1.551 16.072 2.600 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 1.840 -0.447 4.154 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 3.095 19.055 -0.980 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 0.611 -9.045 8.946 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 -2.705 -0.365 -1.618 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 -1.337 -8.283 -2.832 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 -3.914 11.885 -0.372 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 2.040 0.462 9.894 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 9.296 -19.810 8.489 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 -2.297 5.815 17.079 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 1.842 -2.040 3.838 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 15.327 -17.104 -10.781 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 -3.177 5.355 -1.854 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 -2.699 4.854 -1.259 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 3.661 11.458 -1.644 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 -10.016 10.506 8.570 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 3.781 -1.333 4.213 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 3.426 -3.649 -7.418 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 4.005 -1.968 19.200 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 7.382 -1.908 -6.955 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 12.008 -14.901 0.947 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 -7.235 -0.723 8.713 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 1.659 2.609 -2.521 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 -9.238 -8.379 4.719 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 29.288 7.705 -6.676 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 5.831 0.137 6.382 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 -13.659 1.817 30.586 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 23.748 -2.157 -16.069 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 -5.591 3.344 -7.132 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 -16.470 2.866 6.933 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 -8.179 5.070 -10.914 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 -0.440 8.673 2.276 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 -7.313 -3.197 7.462 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 -1.567 19.402 1.200 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 1.094 2.824 1.433 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 -4.425 -0.810 -1.262 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 -10.913 0.924 3.326 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 5.342 0.290 0.555 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 4.643 9.373 6.214 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 13.063 -4.010 6.213 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 -0.497 5.170 -4.714 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 6.975 -14.574 -23.073 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 3.388 -14.022 31.588 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 -2.207 4.721 -2.535 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 -15.854 0.318 1.329 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 5.779 -24.800 -13.082 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 2.223 -0.486 -4.019 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 13.928 -5.924 5.187 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 -17.661 -0.129 18.415 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 -1.538 3.557 2.533 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 5.362 5.821 -2.063 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 -3.997 -6.520 9.632 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 -1.066 1.089 -6.418 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 0.314 1.657 -5.915 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 -28.260 -3.963 -1.306 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 1.180 0.271 -4.706 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 -5.119 -0.773 -13.023 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 7.215 8.788 -1.666 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 -2.779 -3.680 3.539 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 -5.768 -6.225 2.944 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 38.969 17.359 6.538 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 -5.455 -2.249 1.697 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 4.421 -4.443 8.471 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 3.471 -3.299 -2.623 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 4.945 -3.995 -5.277 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 24.099 2.831 8.967 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 -1.426 -19.233 2.792 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 8.909 -2.243 -1.195 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 9.313 4.385 10.324 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 18.038 8.862 -13.725 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 -5.263 -1.511 2.201 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 7.819 2.684 -3.212 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 -0.536 -2.339 2.630 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 5.900 3.210 -1.931 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 1.072 -12.241 12.032 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 9.049 9.137 -7.141 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 -1.865 7.176 -1.018 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 0.412 10.252 17.627 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 -14.458 13.599 -0.196 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 -3.526 -1.143 -2.718 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 -1.145 -14.894 -6.164 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 14.833 -2.315 -12.060 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 -3.547 4.644 4.670 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 4.750 0.022 -6.565 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 -4.808 -2.343 9.480 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 -0.491 -5.577 2.639 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 -9.460 0.477 -9.200 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 -8.532 1.696 -5.481 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 -1.033 0.748 -0.338 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 -2.331 12.172 17.644 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 18.564 -3.565 -5.232 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 3.301 9.477 -1.607 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 15.315 6.248 3.988 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 -10.252 -14.652 -1.779 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 -1.475 5.640 -2.557 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 12.507 -11.343 -3.756 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 -21.088 -0.298 7.762 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 4.294 6.246 3.405 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 13.716 7.200 0.787 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 -11.614 13.774 11.206 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 0.932 5.501 1.808 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 6.747 -1.213 -1.375 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 -0.100 16.914 -9.927 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 -1.394 0.744 2.291 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 -16.804 -1.977 0.514 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 -3.220 18.042 11.671 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 -0.317 5.006 6.375 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 0.781 17.674 -4.592 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 20.748 18.828 -4.681 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 -2.033 -3.120 3.912 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 -2.994 -1.798 7.631 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 8.078 -10.730 -0.947 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 2.212 -7.484 -4.142 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 9.951 4.552 0.066 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 2.818 -15.031 -1.032 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 2.585 4.119 2.484 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 22.679 -9.741 41.659 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 -0.423 -16.299 -16.570 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 -1.561 -7.769 1.504 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 5.719 34.710 -9.516 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 21.190 -16.789 28.936 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 0.253 -3.278 -3.851 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 -1.009 -9.061 -4.109 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 2.914 -2.843 14.342 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 0.474 0.775 -0.671 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 20.253 2.167 -14.932 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 -7.973 -26.220 5.827 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 -1.043 3.283 3.565 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 0.978 -16.873 18.371 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 -1.156 3.537 2.953 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 -4.940 -0.520 -4.403 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 15.332 -18.097 1.431 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 12.726 4.493 28.180 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 -3.327 -3.272 4.493 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 10.362 -7.657 -18.629 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 7.184 -13.102 -34.018 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 -3.124 3.532 3.834 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 -4.265 -6.255 0.117 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 5.160 2.001 6.940 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 0.344 -3.487 1.232 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 -7.889 17.554 -5.127 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 1.667 -11.383 16.068 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 -6.496 -2.328 0.852 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 -4.934 0.126 -3.726 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -8.800 -3.436 8.925 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 2.562 -4.020 5.641 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 12.204 -8.966 -3.668 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 0.090 -6.909 3.605 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 1.902 -3.752 -2.172 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 -1.243 -4.012 1.189 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 5.303 -13.774 7.282 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 -2.173 0.780 4.677 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 -13.286 -2.460 16.101 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 -1.399 -10.164 1.453 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 2.869 4.478 -1.524 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 -12.213 1.176 4.569 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 -3.367 6.231 8.490 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 -1.157 1.010 1.625 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 -13.482 -1.592 -8.621 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 2.473 -4.663 5.466 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 -0.413 2.673 -1.253 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 -18.418 -0.702 8.574 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 20.656 -3.268 0.514 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 0.656 1.231 -0.035 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 20.226 -1.412 -10.697 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 -12.893 -5.333 16.058 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 -1.239 -2.390 -3.695 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 2.573 5.609 -1.520 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 -8.186 -4.076 -9.013 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 -3.241 7.138 -8.254 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 1.363 6.534 15.235 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 -17.115 -12.043 -32.741 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 -5.324 -3.608 -0.043 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 -7.864 -9.223 11.196 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 0.982 -6.411 -0.911 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 -1.394 6.354 -6.714 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 6.775 -6.411 12.100 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 2.894 -0.449 -2.321 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 -0.638 5.182 -1.327 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 -6.312 10.096 -15.021 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 7.322 12.686 5.991 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 0.698 3.502 -1.586 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 2.725 3.346 7.358 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 -7.862 15.594 -6.407 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 3.664 -2.499 -2.334 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 8.443 -1.800 -4.130 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 5.621 1.257 15.185 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 -1.217 -0.922 1.485 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 -6.959 0.736 -8.594 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 -0.496 -15.842 0.049 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 1.557 3.416 -5.772 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 -8.664 16.728 -0.275 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 8.117 -1.192 -9.668 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 -1.082 0.963 0.531 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 -7.327 -16.300 -0.228 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 4.338 -5.927 11.745 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 1.185 4.855 3.400 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 5.827 2.361 19.106 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 -6.022 18.289 -1.010 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 -4.383 2.932 -1.541 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 20.660 3.459 6.031 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 13.594 23.296 15.675 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 8.718 -3.948 3.274 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 25.261 17.954 9.462 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 2.987 -26.183 7.786 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 1.774 -3.758 1.129 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 7.663 -1.014 -8.395 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 -8.026 -0.037 3.055 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 -3.750 1.134 0.375 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 2.769 4.378 2.546 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 -11.571 -5.861 -1.106 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 -1.798 0.869 1.159 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 -6.495 -5.494 1.555 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 -3.698 -6.719 9.295 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 5.351 3.097 4.463 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 -10.862 -17.055 14.618 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 14.036 7.566 9.264 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 -2.731 2.526 3.294 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 -4.127 -2.154 15.094 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 5.434 1.428 -10.008 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 -2.314 0.023 6.802 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 0.768 -1.744 11.172 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 2.311 -8.531 -6.629 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 -0.750 5.549 3.331 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 -0.414 0.836 14.875 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 6.655 2.989 -3.683 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 -5.630 -5.946 0.168 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 0.803 -7.257 7.707 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 -17.610 -1.376 11.614 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 4.625 -3.061 3.828 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 -8.645 -30.446 4.818 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 23.936 18.175 19.604 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 1.836 0.798 -4.354 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 -10.208 -1.058 0.108 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 2.332 14.872 17.712 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 7.459 3.122 1.358 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 23.011 6.793 -29.091 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 -9.047 31.883 6.215 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 1.529 3.633 -4.634 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 -11.757 -0.264 5.788 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 11.581 -12.979 2.079 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 2.520 -1.423 8.015 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 -9.151 -21.016 -15.284 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 3.137 1.881 4.739 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 -2.837 -1.329 4.478 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 -0.885 -0.389 1.963 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 -3.739 17.578 2.813 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 -8.865 2.576 -3.591 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 -0.490 -7.287 1.841 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 -16.863 2.971 -8.542 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 -0.132 -3.416 1.310 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 -4.730 -7.301 -22.703 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 -21.408 -4.962 9.179 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 3.078 -6.976 4.905 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 12.358 6.586 13.999 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 -5.888 -24.374 -9.368 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 -1.268 0.560 -3.431 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 3.260 17.861 -22.288 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 -6.183 -5.105 23.095 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 -0.196 0.991 0.379 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 -15.537 1.525 0.326 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 18.209 -1.049 0.248 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 3.228 -0.846 2.724 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 19.634 2.453 5.525 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 2.368 -7.904 12.935 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 2.173 -4.428 4.706 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 22.409 -5.417 -2.819 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 -2.276 14.929 5.300 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 0.879 3.879 9.247 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 -3.644 33.829 -0.543 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 -2.535 -14.323 8.825 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 1.684 -1.918 -5.141 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 -2.851 2.367 -25.971 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 3.432 -4.720 -8.225 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 -4.096 0.501 -0.179 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 -1.386 -4.316 -10.588 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 -4.016 -8.628 -18.424 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 7.707 -5.365 -1.729 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 -0.288 5.086 11.583 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 -13.124 5.273 13.864 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 -1.360 5.523 -2.837 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 0.830 -2.009 -10.983 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 -8.087 -1.340 -0.790 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 1.976 -1.323 -2.024 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 20.655 4.154 -2.253 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 -12.427 -7.606 -2.483 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 4.229 -1.072 3.449 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 2.528 5.151 2.050 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 -15.832 15.635 13.358 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 -0.650 2.084 -2.652 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 3.408 0.425 -2.089 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 -19.715 8.253 -3.660 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 -1.476 5.034 -1.805 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 -18.144 -1.127 6.598 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 0.633 -19.731 12.454 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 6.745 3.750 -1.874 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 3.697 2.733 -10.534 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 -0.739 1.724 -15.089 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 -0.886 4.932 -1.204 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 8.897 23.207 5.914 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 6.084 6.742 -4.099 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 -5.914 1.721 -1.045 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 -3.353 15.703 14.807 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 -9.510 -16.019 -20.324 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 -4.245 -1.054 0.459 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 -15.980 2.186 6.146 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 16.676 4.168 -4.647 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 0.407 -6.270 -5.268 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 -2.630 -7.598 -19.614 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 -7.525 -17.527 2.180 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 -3.937 -3.025 -6.786 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 -19.974 -7.309 -21.219 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 -23.874 15.375 1.178 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 -0.694 -2.770 -3.934 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 6.904 1.116 -0.530 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 -0.873 -4.134 3.757 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 2.375 -3.202 -4.693 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 -5.480 4.445 -11.294 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 4.045 -17.046 -9.424 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 -9.710 0.947 -10.100 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 -25.217 6.486 6.399 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 -23.040 -9.217 -27.606 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 -4.955 7.990 -0.957 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 27.109 7.486 -13.625 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 -13.597 10.728 -25.436 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 2.470 1.976 -2.931 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 -4.894 -13.145 -1.349 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 12.404 3.608 9.195 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 -3.007 3.672 4.768 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 -3.489 -1.755 -13.214 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 -8.525 -0.645 14.461 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 2.125 1.137 -5.711 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 3.972 7.920 -8.736 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 2.478 -4.239 14.090 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 0.655 -5.734 3.298 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 3.989 6.939 4.315 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 7.923 -2.490 2.486 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 5.171 -7.214 3.806 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 -2.165 5.443 5.945 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 -2.089 -5.282 -25.044 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 -6.221 -0.407 -1.022 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 -11.845 -19.568 -14.751 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 -18.940 -6.746 33.728 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 -0.102 2.436 2.392 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 6.307 -0.186 22.834 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 -11.234 -7.515 0.561 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 4.299 -0.096 -9.816 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 5.148 5.060 28.379 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 6.639 2.440 -0.437 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 3.824 -0.005 1.092 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 2.950 -5.758 0.879 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 3.962 1.420 7.176 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 -4.843 2.729 0.992 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 2.741 12.218 -4.351 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 8.481 16.422 -2.304 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 1.212 -1.180 2.184 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 5.014 -2.226 1.369 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 -0.845 -4.310 2.475 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 4.014 1.579 4.021 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 6.442 1.987 1.572 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 6.282 2.050 1.444 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 4.894 5.560 -0.842 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 1.205 -12.722 11.247 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 2.135 -9.205 8.794 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 6.310 0.650 -1.667 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 -8.730 -1.926 -21.302 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 -9.406 2.841 15.188 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 3.641 3.749 -2.596 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 10.055 -3.385 5.345 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 -27.381 -15.548 17.065 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 4.140 2.959 3.267 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 -5.534 -16.754 -3.907 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 -7.169 -12.572 -1.951 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 3.687 -5.296 -0.685 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 1.743 -8.206 5.295 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 10.726 5.702 0.513 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 -3.521 -0.507 4.827 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 -10.023 5.683 -2.118 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 8.570 -5.296 14.759 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 -0.274 -1.644 -1.712 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 -10.562 -3.722 -14.114 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 1.093 15.025 -0.314 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 -0.515 -5.070 -0.492 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 11.763 -4.193 10.722 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 -6.233 -2.174 -6.291 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 -1.819 1.102 -3.363 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 27.336 0.147 -17.012 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 -6.859 2.329 0.042 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 2.842 -2.671 -0.766 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 -5.408 -12.131 11.588 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 -4.018 -11.409 -20.745 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 7.478 0.134 9.788 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 3.999 -9.812 15.506 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 1.804 4.760 17.832 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 -4.301 0.331 -4.234 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 -0.707 10.891 18.385 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 1.548 11.713 -18.996 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 -3.315 5.209 0.507 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 -8.889 0.195 2.856 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 4.642 6.259 10.000 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 1.917 0.490 5.229 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 -3.967 -11.364 -11.629 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 -5.431 -8.223 -3.849 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 4.200 0.116 2.041 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 0.245 -13.906 10.121 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 -4.903 11.459 9.174 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 -0.003 3.988 -2.834 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 9.477 -14.798 24.411 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 -6.407 -10.306 15.080 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 0.874 0.367 -0.626 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 -24.350 13.597 19.297 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 2.715 2.496 1.619 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 -0.448 6.115 6.542 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 15.185 1.976 11.373 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 -8.182 5.741 -8.685 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 -4.974 0.613 -8.287 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 -12.752 -0.172 0.149 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 -0.199 1.400 -18.981 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 -3.118 5.248 -5.075 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 15.547 -17.681 7.775 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 4.179 17.322 14.869 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 -3.652 6.168 -1.287 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 -2.074 -20.054 -4.975 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 5.875 -6.769 -5.604 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 4.951 -4.865 -1.600 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 4.555 3.032 -10.434 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 6.542 -18.743 13.669 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 -1.464 -2.615 0.463 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 -1.534 4.590 -5.498 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 -11.089 -2.019 19.332 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 3.019 7.381 1.152 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 2.342 -8.779 7.405 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 -12.177 8.756 -4.885 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 1.871 1.353 -5.234 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 -11.524 -0.361 -21.587 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 26.359 -3.924 -14.207 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 -2.051 0.288 -3.849 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 3.365 -6.810 -8.840 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 -17.252 -24.415 19.908 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 6.638 2.354 -1.840 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 -4.091 -2.978 -3.620 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 -2.532 0.322 -3.040 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 -0.240 1.618 -0.553 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 14.891 -14.635 -14.407 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 5.518 -1.931 -17.326 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 -1.666 0.815 2.182 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 -7.218 7.555 4.900 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 11.371 0.688 9.772 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 -3.788 2.077 0.765 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 -23.503 -10.060 17.629 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 -7.985 24.783 -0.758 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 -3.445 3.139 -8.234 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 -11.132 0.948 -12.579 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 -7.900 4.267 -10.399 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 0.864 -2.460 0.187 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 -1.878 -1.362 -8.813 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 1.710 -8.882 0.206 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 0.889 -2.375 5.613 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 1.754 5.777 -5.125 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 9.315 -15.047 0.751 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 -0.454 -7.021 -4.965 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 -0.785 0.064 -8.503 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 -5.804 -13.584 -15.499 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 -1.096 6.810 -4.029 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 -11.852 10.332 -12.805 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 -0.789 8.857 0.732 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 -3.487 -3.302 9.820 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 -12.455 0.408 -6.470 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 4.669 11.745 14.226 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 0.489 0.771 1.221 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 -2.962 0.163 8.865 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 6.691 -15.984 -6.289 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 -4.949 2.937 0.685 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 -4.256 2.601 -0.019 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 -17.141 -9.982 16.856 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 3.871 1.969 0.346 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 4.614 -8.950 9.228 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 3.342 27.081 -30.279 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 -3.830 -1.541 -5.103 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 -4.298 23.491 -5.844 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 1.289 12.234 -10.297 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 3.900 7.335 -1.945 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 -6.575 -23.982 9.378 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 8.328 9.909 -1.566 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 1.410 1.506 1.605 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 -6.213 -3.535 20.150 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 0.173 0.094 7.304 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 -2.494 -0.454 -1.695 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 19.170 -8.302 9.456 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 -14.717 -9.513 -3.240 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 3.185 -0.193 4.912 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 5.574 -4.482 -0.500 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 -0.391 3.775 4.188 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 -0.088 -1.098 -3.033 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 -22.685 -6.181 -6.026 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 -24.106 -15.743 -11.662 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 5.046 3.266 5.247 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 -14.303 5.355 -1.360 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 11.475 -12.685 -5.367 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 1.132 -4.333 -4.602 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 6.981 7.668 -21.842 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 -5.125 9.611 12.402 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 -5.363 -4.404 -1.899 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 -5.282 1.528 -9.773 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 -6.293 -6.480 -3.064 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 0.679 -1.022 4.458 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 -11.230 -11.727 -8.360 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 16.584 -34.390 -11.769 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 2.426 1.138 -1.527 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 0.540 3.813 -11.230 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 -2.349 6.439 -23.167 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 3.089 0.930 -1.157 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 5.021 0.254 19.929 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 0.563 1.816 0.507 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 -5.554 -6.677 -6.899 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 -12.348 -1.107 5.052 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 -1.896 -8.455 -9.164 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 -10.064 -3.928 2.224 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 0.128 -8.292 -1.712 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 -13.257 5.382 -0.825 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 0.795 -0.115 -8.027 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 19.629 9.530 1.566 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 -7.413 16.214 -20.984 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 2.171 -5.389 -2.587 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 -23.209 13.791 -19.500 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 14.299 12.444 -11.390 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 4.858 -0.885 -2.789 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 5.680 2.629 -0.604 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 1.857 -20.738 -9.743 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 1.297 0.413 -0.076 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -3.368 -11.398 -12.259 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 -0.655 2.183 0.766 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 3.528 4.932 4.239 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 11.087 11.809 -1.915 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 0.886 3.211 -1.794 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 0.688 -1.275 1.862 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 -6.387 6.645 8.130 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 -0.549 -5.584 -6.350 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 -0.084 -9.097 7.103 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 -2.859 30.059 15.874 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 -1.854 17.150 3.770 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 3.185 3.357 -6.821 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 -12.914 9.745 -9.216 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 -4.421 12.393 13.484 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 -6.171 2.558 6.594 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 1.778 16.316 -2.996 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 3.919 4.906 -3.997 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 -2.738 2.001 5.415 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 1.291 3.819 -23.715 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 4.170 -6.099 10.910 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 -2.448 4.472 -0.807 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 7.756 -6.053 -6.891 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 -5.423 0.961 0.685 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 5.177 -3.969 -1.515 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 13.980 -7.550 0.267 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 6.409 8.086 2.951 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 2.099 2.054 -4.952 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 -1.357 3.574 0.274 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 3.980 10.191 -17.559 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 7.211 -5.835 2.991 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 13.942 6.300 5.137 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 3.611 -6.937 3.919 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 1.405 1.727 3.489 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 23.344 3.844 -3.720 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 -6.520 -8.118 -9.112 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 -1.431 5.322 2.307 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 -3.996 3.092 -20.883 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 -9.731 -20.660 0.925 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 -6.108 5.272 0.095 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 6.192 6.986 4.259 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 -15.161 -9.699 -0.301 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 -1.975 -4.435 2.752 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 -3.528 -10.841 17.204 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 9.439 4.971 -12.130 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 1.372 -6.479 0.819 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 -28.313 -16.414 -17.399 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 28.140 -14.055 -20.682 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 -8.875 -8.041 1.060 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 -10.273 -4.733 29.820 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 -12.545 -11.763 7.226 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 -5.409 3.552 -2.546 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 -6.315 0.090 -4.458 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 -7.414 5.514 -0.320 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 -3.501 11.016 8.373 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 10.479 9.676 26.244 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 2.399 15.425 -2.630 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 -5.602 5.078 4.127 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 21.668 -18.104 8.671 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 -17.457 29.250 11.074 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 8.629 -2.088 -0.298 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 6.860 -5.414 12.885 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 5.622 6.895 -1.445 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 -2.215 0.865 1.363 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 8.652 5.014 -1.756 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 -8.273 -11.710 -1.002 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 -4.513 6.329 -0.748 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 0.086 -10.104 -4.215 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 -3.266 13.452 2.728 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 -0.367 -2.444 2.674 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 13.367 -8.300 -12.879 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 -10.441 -4.877 6.283 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 -1.399 0.714 1.094 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 18.193 10.363 -2.084 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 -3.863 3.260 21.390 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 -3.521 -10.229 -3.383 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 3.785 26.830 10.220 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 -7.512 -3.236 -4.179 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 2.060 2.700 4.968 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 9.801 8.398 -1.734 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 -1.200 3.192 9.394 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 -1.281 -1.697 -0.730 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 -7.932 -4.706 -0.846 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 -27.372 11.586 -21.359 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 -2.121 -4.908 -7.250 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 -4.869 -3.333 -8.378 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 27.157 -41.109 -2.033 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 -2.187 6.112 2.660 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 -11.870 28.454 8.192 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 -32.428 -23.712 14.509 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 -1.161 -3.520 4.568 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 -10.047 15.669 -13.057 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 27.363 -11.405 -4.815 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 -0.516 6.364 -0.808 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 9.819 -11.249 35.466 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 -6.756 16.936 2.957 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 -6.970 1.123 -0.099 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 3.854 4.008 16.693 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 4.638 8.310 -12.931 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 4.306 6.197 -0.718 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 -0.955 -6.707 7.479 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 1.488 3.062 -16.016 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 -1.577 2.228 0.392 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 12.007 0.651 -33.517 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 -8.112 -12.427 9.146 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 0.311 -4.610 1.783 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 -3.997 -5.586 -2.592 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 -11.944 -1.592 -23.046 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 5.551 4.773 -1.241 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 7.856 10.077 -2.079 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 -20.134 15.234 0.665 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 -2.627 -0.522 1.054 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 3.629 36.585 -9.868 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 0.401 -9.226 2.826 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 -1.046 -0.261 2.411 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 2.698 -7.885 1.438 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 -6.764 9.660 7.295 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 1.330 -0.549 0.079 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 0.263 11.726 7.931 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 -12.434 -18.518 1.437 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 4.664 -0.489 -10.390 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 -6.128 2.970 -0.846 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 -3.461 4.270 -13.258 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 -1.537 1.324 -3.427 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 -7.021 -8.575 0.431 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 4.065 0.199 -8.989 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 -5.217 0.125 3.724 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 23.336 14.263 -2.881 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 -8.499 -2.652 26.468 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 0.593 -3.318 -2.306 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 -12.186 -12.906 -8.487 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 8.169 1.512 9.110 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 0.611 -0.175 -3.070 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 -1.055 -0.402 -15.749 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 14.050 -1.277 10.431 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 -7.057 2.054 -2.365 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 -24.183 20.125 -14.605 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 -15.230 -1.601 5.730 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 1.593 3.184 2.197 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 1.463 5.295 -9.884 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 -3.933 -17.049 -1.939 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 -3.621 -5.415 2.771 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 3.688 -8.548 -6.248 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 10.924 -4.588 1.616 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 1.788 -0.804 1.416 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 -4.328 3.939 5.348 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 5.705 -7.474 -10.451 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 2.740 -0.290 0.236 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 10.198 5.657 -11.564 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 4.876 3.543 -12.896 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 -2.403 -4.146 -2.387 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 1.572 -8.891 14.595 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 13.224 -6.816 -11.124 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 2.790 -6.151 0.076 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 -2.263 -2.683 -2.547 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 2.646 -11.395 -5.067 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 5.315 -0.761 2.540 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 -7.745 -14.011 -1.436 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 17.112 -10.857 -1.282 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 -8.840 0.540 -2.475 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 -15.405 -3.677 0.444 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 -8.612 1.918 -8.729 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 -5.702 8.167 -2.402 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 -7.821 11.529 -3.706 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 24.197 9.542 9.851 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 -1.179 5.591 5.397 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 5.694 0.431 6.821 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 -17.942 -11.508 -21.894 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 -1.862 5.299 -6.624 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 -12.641 8.075 -3.523 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 12.480 -8.947 -12.934 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 -1.807 0.671 -2.148 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 -0.787 -1.801 19.001 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 -14.747 10.238 -23.992 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 -11.561 4.004 6.327 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 -3.977 6.347 7.517 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 -25.171 -0.091 7.830 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 0.305 0.524 -1.973 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 6.298 8.735 9.729 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 -10.640 -9.290 4.215 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 3.597 1.825 -1.185 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 -8.258 -2.755 10.031 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 -0.144 -11.067 -0.135 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 0.129 -0.531 -1.779 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 -9.145 0.873 16.966 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 4.330 11.269 -29.580 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 -6.256 -6.991 -0.771 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 -4.265 -10.900 0.791 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 8.438 -0.472 3.598 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 0.079 -0.946 3.779 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 6.629 -4.366 -2.498 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 10.312 -4.782 -21.992 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 -1.252 1.337 1.241 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 -5.362 -13.168 -3.333 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 8.881 -2.985 -10.447 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 0.366 8.273 -2.388 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 3.350 -6.690 -0.785 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 5.821 -3.164 -2.673 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 1.794 4.256 -1.625 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 -3.314 4.655 -17.792 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 20.288 2.002 -4.509 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 0.915 6.483 0.651 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 3.733 -0.523 -2.957 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 -12.227 7.206 -10.583 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 -4.199 3.010 3.192 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 -10.902 -0.043 -3.712 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 -7.156 4.779 -1.719 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 1.197 -0.546 -0.661 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 20.956 -18.881 -10.282 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 -8.792 4.080 -0.838 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 4.687 -0.442 3.155 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 5.173 2.566 4.296 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 -3.222 -20.628 -9.996 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 0.708 -3.980 1.704 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 -19.055 13.974 -22.187 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 10.456 -3.974 4.312 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 7.608 -1.791 -8.147 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 -10.339 16.706 -15.293 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 -0.223 -18.456 11.260 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 4.235 -2.489 -3.172 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 14.650 -17.435 -6.638 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 1.583 -21.767 -3.639 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 8.685 2.532 5.290 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 10.026 -20.373 -1.345 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 9.559 13.314 -15.204 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 -0.260 0.437 -0.465 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 1.209 30.307 -8.860 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 -1.819 -27.415 8.656 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 1.495 6.329 -7.473 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 22.421 11.331 -9.264 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 31.363 16.149 -9.421 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 -1.390 -0.009 -1.524 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 -5.773 -8.949 -6.860 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 3.446 13.469 -6.166 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 -5.069 -0.842 -1.249 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 -7.463 5.314 -4.077 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 8.149 -36.407 13.048 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 3.406 0.019 -2.622 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 26.852 -10.921 7.576 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 2.178 0.776 -6.564 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 4.354 -2.967 5.024 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 8.319 2.878 3.837 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 -8.375 -19.416 7.734 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 0.453 4.838 -0.353 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 9.486 10.423 5.564 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 7.275 7.176 9.144 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 2.750 -2.019 3.570 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 24.743 6.082 -39.570 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 4.042 -1.156 -1.016 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 1.076 -2.072 3.058 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 -10.978 -5.610 4.717 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 30.848 6.170 -0.276 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 -7.426 -3.686 3.314 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 -13.534 -9.580 1.887 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 6.029 -13.238 2.533 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 -1.264 5.157 -3.418 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 8.886 17.689 8.811 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 -7.068 35.578 -2.231 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 -0.539 -2.265 4.809 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 -1.625 7.105 -5.997 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 8.254 9.049 -27.163 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 -2.241 6.029 1.056 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 -22.520 7.867 -2.515 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 -16.120 4.021 -3.215 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 1.421 -6.425 -2.036 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 -7.365 -11.541 2.359 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 12.297 -8.760 1.381 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 2.685 0.576 -2.175 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 10.303 -18.096 -23.286 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 10.895 -4.617 -2.599 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 -5.397 0.842 -8.026 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 -10.126 -6.891 4.552 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 -6.814 -1.837 -11.921 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 -2.193 -5.487 -3.225 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 -3.990 -11.182 21.108 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 -0.188 -2.845 -17.900 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 3.544 -6.212 -0.212 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 -13.694 -21.658 -21.953 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 -8.025 20.681 -6.906 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 0.592 -4.803 -4.000 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 4.656 -5.511 -6.217 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 3.929 -6.643 -7.060 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 -3.312 2.474 -0.852 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 2.165 -0.405 26.058 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 2.354 -4.104 -27.157 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 2.985 3.236 1.867 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 10.993 3.240 2.299 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 6.289 8.215 -2.641 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 -4.496 4.228 -2.444 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 3.902 -7.112 7.427 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 -13.924 -6.000 -13.561 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 0.129 0.544 -0.652 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 -6.888 7.057 3.797 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 -1.522 4.896 -0.102 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 0.397 -4.373 -1.208 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 8.303 2.399 1.221 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 -8.593 -2.459 -2.938 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 4.358 -2.071 4.589 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 22.036 -14.321 -10.494 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 11.132 -20.992 12.030 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 -7.432 -1.416 1.523 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 13.650 7.620 3.234 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 -14.546 -8.809 0.887 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 -7.063 -3.593 7.391 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 12.520 -13.717 16.705 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 -13.131 3.485 13.302 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 -5.387 -4.825 3.418 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 -13.158 -8.653 2.893 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 -5.001 -6.770 4.705 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 13.079 1.219 -8.451 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 5.083 -14.639 7.690 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 28.020 7.503 -4.490 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 1.484 -7.681 7.134 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 3.708 -10.245 13.190 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 18.564 -13.587 1.494 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 2.147 -4.403 2.102 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 13.945 5.117 -3.409 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 -4.187 6.788 2.725 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 1.455 7.189 -2.253 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 4.850 10.488 -7.423 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 -12.715 23.240 -5.862 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 3.393 -2.292 2.082 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 17.486 -20.767 0.547 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 38.023 8.924 -12.142 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 -2.959 8.165 -3.886 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 9.190 28.072 -11.903 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 -5.849 -5.907 17.299 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 -6.072 1.737 -4.274 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 -1.359 9.628 -0.652 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 -3.437 -14.753 -6.282 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 1.019 -5.985 2.141 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 -9.199 13.025 -6.723 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 21.713 -4.972 23.470 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 -0.898 -4.231 1.544 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 -16.558 6.323 -5.697 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 -14.646 3.831 -0.186 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 -2.177 1.068 -0.277 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 0.742 -13.825 -4.243 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 -18.340 -2.733 6.175 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 1.060 -2.899 3.792 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 5.754 -14.590 0.262 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 10.171 5.964 -18.031 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 -6.258 -4.488 -1.488 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 16.089 -4.953 -23.361 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 6.301 10.866 22.492 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 -6.710 -2.779 -3.268 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 -5.450 0.162 3.274 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 -15.433 -11.879 -4.336 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 2.225 -0.968 -0.862 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 -8.920 -5.629 26.599 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 24.672 -5.886 -13.544 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 3.382 -3.219 -3.429 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 6.507 3.529 -1.194 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 20.360 11.634 -22.824 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 -5.415 -1.212 -6.460 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 -5.129 -1.135 -4.625 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 8.993 1.011 -3.472 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 2.191 -8.828 -5.129 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 -6.872 -32.187 -4.972 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 1.219 -32.721 32.891 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 0.598 6.614 -0.044 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 8.524 -0.413 4.717 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 -7.415 5.128 5.172 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 2.964 3.664 -8.748 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 -4.042 4.010 -14.300 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 27.187 2.386 -39.918 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 -2.369 -3.361 -3.830 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 -21.505 -10.650 -13.068 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 -12.649 -0.175 12.167 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 -4.293 -2.766 5.254 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 -32.383 40.185 20.471 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 8.405 -24.201 -2.354 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 -1.035 -5.534 -0.608 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 21.827 -1.003 -24.706 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 -15.136 22.051 19.850 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 0.857 -2.317 2.730 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 -1.297 0.803 5.085 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 -7.930 -9.499 14.752 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 -4.474 7.365 -3.966 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 -5.145 12.962 1.616 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 -5.381 9.530 14.322 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 0.232 -4.548 3.534 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 9.465 19.209 -33.960 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 12.094 3.723 15.011 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 0.077 -1.569 5.227 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 0.529 18.378 -19.881 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 -5.159 -10.397 18.644 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 -3.797 3.677 1.586 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 -15.830 -6.822 7.671 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 7.475 5.602 -29.927 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 -5.862 -3.636 2.071 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 6.828 -0.451 22.570 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 5.590 -21.126 6.817 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 4.449 -0.071 3.130 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 -8.524 6.203 9.822 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 19.999 -8.516 13.271 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 5.965 -3.051 -8.104 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 -4.047 12.727 -14.714 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 -4.935 -10.859 -22.252 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 4.750 -5.269 8.274 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 3.985 -22.526 -1.938 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 10.920 8.049 14.523 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 -3.085 -0.451 2.080 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 2.445 11.904 4.056 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 -5.175 -5.160 1.398 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 -10.131 0.448 2.200 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 11.134 -11.209 9.949 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 -6.341 13.006 -4.564 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 1.988 1.700 -2.891 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 14.051 -1.424 11.167 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 4.752 -0.894 -9.984 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 0.185 -1.023 -0.328 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 -9.635 0.971 -5.345 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 13.792 29.469 -11.140 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 -2.621 -6.128 -3.001 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 -7.449 -7.866 -2.338 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 -14.010 -10.795 -2.385 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 0.779 0.435 -0.552 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 -12.056 6.965 3.020 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 0.865 -0.464 12.465 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 2.484 -3.008 -5.136 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 17.804 2.853 -5.987 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 -2.849 5.419 -7.215 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 3.457 6.347 1.691 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 -7.026 -0.118 -1.397 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 -9.242 1.306 13.654 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 -0.918 4.845 -0.987 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 -3.049 1.174 -6.425 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 -6.918 4.945 2.128 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 0.487 0.534 5.573 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 12.139 16.464 -20.228 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 0.062 7.651 -32.685 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 5.359 -1.929 -5.304 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 4.881 4.376 4.626 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 -3.407 0.517 -11.536 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 3.322 -1.531 1.911 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 0.382 -2.132 -0.717 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 -8.485 -2.727 -9.043 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 1.065 -0.870 -7.873 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 4.657 3.242 -3.890 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 -2.617 -4.859 -10.432 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 -5.806 3.358 5.640 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 -13.762 -6.112 -17.581 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 -5.077 -3.927 11.945 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 2.888 1.603 0.516 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 1.955 -20.893 16.694 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 4.614 16.487 -9.277 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 -3.195 9.673 -1.407 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 1.073 2.043 -27.953 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 7.297 26.029 -5.622 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 4.975 5.756 4.212 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 16.323 15.598 8.330 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 5.054 8.488 8.661 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 2.627 4.954 -1.148 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 -1.461 3.351 -5.106 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 -0.393 3.975 -12.749 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 -4.428 0.155 3.444 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 -4.096 -0.712 1.980 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 -6.059 2.379 7.255 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 -4.149 1.343 4.534 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 -0.916 -9.803 6.027 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 7.169 -2.610 2.370 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 -0.153 2.803 -3.863 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 0.556 -0.945 -35.073 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 3.218 21.023 27.028 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 1.084 3.849 0.763 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 -4.562 4.803 -20.805 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 -0.562 10.337 6.484 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 2.378 7.275 -5.275 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 3.271 13.244 -6.182 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 4.136 9.653 -6.308 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 -0.272 -0.230 -2.377 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 -2.860 -1.587 2.649 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 -0.694 -0.801 -2.978 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 2.861 -5.470 0.328 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 11.618 6.962 -3.466 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 4.172 12.112 -2.963 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 -1.267 -3.091 2.156 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 11.861 -2.833 -18.694 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 -10.501 -6.388 18.426 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 -2.385 0.387 -0.830 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 -3.997 -0.805 5.850 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 -15.329 -7.207 11.290 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 -1.301 -4.272 -1.655 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 -8.528 -29.960 -3.306 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 -8.257 9.321 -0.225 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 0.809 -5.105 -0.589 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 3.851 -7.134 4.485 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 -2.471 -2.924 -5.716 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 7.002 3.480 -0.408 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 11.302 -5.240 -8.296 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 16.945 0.606 7.597 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 -0.884 -1.242 -2.763 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 6.611 10.334 2.797 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 -9.173 2.903 2.404 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 0.241 -4.703 4.917 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 27.743 15.186 9.421 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 20.262 12.147 -2.316 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 1.084 3.438 4.920 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 -18.457 -30.052 0.077 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 -8.518 -11.222 2.125 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -4.287 -0.102 -2.470 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 -6.463 7.197 -9.302 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 -32.982 7.945 5.933 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 0.383 -3.545 3.145 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 23.634 7.166 -1.743 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 20.894 -11.991 30.335 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 0.612 -3.840 9.059 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 -3.977 -8.780 0.418 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 3.606 11.723 -0.313 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 -2.254 1.132 1.109 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 -3.006 11.802 11.992 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 -8.262 -7.902 -13.764 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 -0.621 -12.222 0.816 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 1.226 -15.392 -5.570 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 -15.872 -19.948 2.356 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 1.782 0.628 -4.844 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 -20.230 24.757 -20.208 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 -2.398 6.141 -9.898 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 0.391 8.206 0.386 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 16.287 -11.332 -20.345 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 9.976 -1.516 28.097 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 -1.591 -0.792 2.257 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 3.124 -8.728 22.432 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 7.989 -2.706 0.003 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 1.836 6.958 -3.652 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 -5.300 2.486 34.229 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 1.740 9.083 21.198 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 -5.908 -1.344 -12.461 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 -6.586 1.892 -13.499 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 -3.634 0.829 -9.764 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 -2.561 1.208 3.715 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 -11.844 -7.116 17.724 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 8.842 24.030 -17.133 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 0.591 6.817 -2.081 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 -20.645 -3.006 11.646 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 4.340 3.414 -1.716 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 -2.464 -3.639 -1.012 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 -1.951 -1.929 -9.035 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 -7.952 -3.852 -1.629 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 -0.350 7.894 0.210 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 0.188 -13.915 7.667 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 -12.715 1.795 -6.641 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 0.601 6.834 3.026 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 2.607 -7.691 0.662 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 -8.967 11.609 -8.361 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 -4.949 -0.497 2.525 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 -4.008 4.275 -4.255 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 0.750 -4.760 15.200 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 -3.611 -4.771 -0.353 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 -6.399 -2.437 -4.333 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 -8.814 0.113 1.485 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 7.190 -3.924 -2.369 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 10.573 17.134 17.149 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 -40.638 -40.194 -22.543 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 -2.060 -2.545 -0.855 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 1.600 -0.572 -2.799 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 7.014 -10.838 8.456 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 0.289 -1.187 4.901 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 -8.317 -8.256 11.214 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 -1.196 -10.378 1.511 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 -0.296 6.661 2.501 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 17.342 6.132 -4.147 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 15.723 1.527 -0.748 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 4.348 3.796 -3.686 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 -16.990 8.521 13.938 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 13.458 18.719 1.827 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 3.745 -2.081 -6.662 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 -16.298 -11.015 15.609 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 16.172 -33.679 9.574 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 2.740 -3.911 -1.343 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 9.717 -9.042 12.726 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 12.525 -3.354 -15.358 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 3.894 -3.046 -2.102 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 -3.590 0.635 -14.189 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 6.672 -14.642 6.778 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 -0.659 1.479 0.442 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 -10.087 -8.721 6.194 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 -11.661 -9.533 17.550 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 2.728 -2.600 0.252 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 -6.234 10.870 -3.915 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 -18.699 -10.084 -24.616 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 -0.389 -1.310 -0.771 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 15.802 -16.823 3.779 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 -3.088 8.300 19.336 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 -1.466 0.904 0.965 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 -4.686 19.022 -3.084 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 -16.910 -5.309 10.656 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 -3.004 1.759 1.971 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 -12.171 7.387 6.651 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 8.192 -9.213 9.890 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 4.416 -1.944 -2.722 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 10.776 20.681 -8.826 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 21.659 -3.786 -1.350 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 1.914 3.332 -0.373 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 -10.604 -6.872 4.367 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 -1.811 7.482 -10.764 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 0.330 -3.264 6.195 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 -4.491 22.991 8.126 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 -4.464 16.054 3.590 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 -2.178 -6.177 -4.557 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 -0.525 -15.547 -13.141 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 3.281 -9.941 6.832 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 3.473 -3.320 -6.106 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 3.789 1.026 -12.520 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 1.701 -9.324 -9.569 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 -0.289 5.838 5.395 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 2.935 18.719 16.990 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 12.172 1.919 -1.928 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 3.276 -2.541 -1.080 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 -4.439 -13.880 5.561 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 -0.118 -12.718 -21.293 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 3.064 2.085 -0.236 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 12.054 -7.885 2.728 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 3.603 -5.692 10.900 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 -0.171 -2.593 -4.538 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 -1.578 -12.643 -15.246 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 -2.623 -1.906 -1.572 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 5.463 3.754 0.617 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 -8.137 -5.664 -3.775 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 -10.012 -29.344 2.715 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 4.535 -0.153 -2.239 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 -2.495 -15.273 1.302 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 -3.381 -20.691 4.596 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 2.249 -2.084 5.884 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 2.070 -3.345 5.082 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 0.628 6.617 -2.819 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 0.096 -7.842 3.589 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 1.078 -32.699 -24.194 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 -28.079 12.400 -6.747 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 5.381 -2.960 0.437 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 31.113 -4.481 17.796 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 -5.834 12.838 11.997 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 -5.904 1.169 3.390 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 -4.422 -4.439 7.198 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 -8.429 2.944 0.226 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 0.078 -0.885 -2.574 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 -15.943 -4.031 12.567 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 1.968 21.988 -1.906 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 -0.366 7.002 -3.329 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 -6.215 1.390 -9.644 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 3.813 10.892 -12.487 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 4.222 -0.276 -2.169 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 -11.482 22.019 -15.207 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 -13.717 4.324 8.244 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 2.714 -0.470 -2.298 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 -0.196 10.136 -8.836 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 -0.217 -11.726 -15.447 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 1.760 5.278 5.700 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 -1.208 20.209 6.341 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 -5.170 -9.972 -12.733 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 2.830 1.754 3.410 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 6.493 4.743 -2.681 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 -18.699 -1.407 14.834 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 -0.802 -1.713 0.900 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 -15.722 4.051 -16.397 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 -1.021 -11.861 -11.488 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 -0.579 -1.438 -5.821 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 -1.471 -1.363 -6.064 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 -7.014 5.472 -17.523 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 -3.621 -0.596 -0.836 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 -4.434 -16.388 -10.533 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 2.514 14.168 0.138 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 -1.188 -4.315 -6.440 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 -11.378 -10.133 15.115 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 10.257 -27.795 -9.518 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 4.817 0.897 2.936 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 -5.088 4.062 -6.883 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 2.642 10.205 7.159 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 0.303 -2.398 4.790 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 7.270 -24.640 19.679 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 13.534 -19.978 14.224 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 -1.478 4.524 -1.884 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 -4.308 3.245 -11.787 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 5.085 16.346 2.364 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 -8.722 -4.836 -0.960 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 2.539 -8.625 2.981 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 -4.627 -9.458 4.068 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 5.650 5.381 0.509 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 -2.106 2.279 0.599 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 0.189 -17.052 13.568 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 -4.072 -3.701 3.211 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 9.924 1.419 12.516 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 -7.679 -5.236 -26.942 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 -3.938 1.526 -9.139 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 -13.243 1.266 -12.846 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 2.418 7.342 -14.544 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 -0.399 -2.347 6.234 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 -16.309 -1.458 -10.681 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 -8.409 -3.980 6.989 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 4.884 -3.309 -1.529 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 7.656 -3.361 -3.106 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 5.717 -4.409 0.124 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 -3.687 2.669 -1.201 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 10.990 9.278 3.038 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 -9.310 -4.234 16.049 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 -1.343 0.049 -5.727 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 -5.114 27.297 4.502 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 19.083 4.590 -11.198 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 -6.888 3.723 -1.931 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 2.782 22.572 -15.066 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 -8.631 2.407 0.157 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 -1.366 -3.833 2.513 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 24.676 3.901 -25.444 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 15.414 -10.242 8.063 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 0.527 -1.853 -5.188 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 2.791 13.691 12.097 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 0.950 -8.877 -9.812 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 -3.815 -5.689 -4.085 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 7.281 34.057 1.997 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 16.153 -34.307 -25.335 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 2.579 -5.920 4.512 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 2.513 -14.353 0.119 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 -8.959 -8.005 0.155 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 3.579 -0.509 -2.961 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 22.959 -4.067 -7.244 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 -2.830 -0.367 -12.036 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 4.763 1.756 2.442 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 19.739 -13.338 3.741 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 19.786 0.814 -15.555 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 -3.075 -1.571 0.403 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 -0.341 6.503 -19.932 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 10.030 5.178 -10.502 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 -6.596 1.132 -0.773 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 -15.423 -9.385 11.170 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 7.563 -3.046 -10.044 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 1.687 3.133 -2.731 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 -3.543 -1.761 3.197 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 -0.523 2.236 13.875 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 1.114 0.912 10.355 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 4.512 -12.827 7.260 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 7.706 10.402 2.719 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 -1.481 5.694 -2.661 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 -20.281 4.926 -3.551 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 19.355 15.479 0.662 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 3.769 3.965 1.742 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 1.676 16.571 14.955 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 7.918 1.755 5.243 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 -5.344 2.854 -4.245 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 -30.882 5.321 0.586 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 1.917 -5.953 -8.446 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 -3.097 1.012 -2.784 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 13.218 -32.594 2.049 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 -5.992 11.484 -1.849 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 -0.889 -0.207 6.270 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 -7.906 -1.082 -9.460 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 15.581 -8.020 9.828 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 3.759 0.311 -1.947 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 -1.611 -9.810 -14.605 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 -15.246 -18.512 -2.876 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 -1.307 3.828 -0.024 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 -18.555 2.825 -2.252 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 12.968 0.002 22.935 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 -1.277 -3.750 -1.042 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 21.792 -10.375 -14.785 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 -3.906 0.076 1.894 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 3.285 0.602 9.024 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 3.922 -0.719 30.307 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 -7.452 17.982 2.710 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 -1.188 -3.166 0.094 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 4.218 -10.790 13.022 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 21.989 0.927 -4.386 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 1.174 -2.093 -0.932 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 0.563 -25.041 -2.623 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 4.653 14.256 4.364 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 1.107 -1.204 -0.731 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 -3.500 -3.590 11.172 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 -6.968 -1.915 0.534 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 1.591 5.077 -2.235 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 -6.049 24.084 -6.390 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 -14.460 -6.126 0.744 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 -2.481 3.853 -5.628 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 -2.050 5.364 -3.170 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 1.552 -0.978 -7.411 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 10.455 1.836 -3.703 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 12.250 -17.146 -5.736 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 20.337 15.722 -2.255 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 5.595 -2.612 3.519 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 -10.051 -5.896 2.552 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 5.621 -13.658 28.346 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 2.175 5.722 -5.838 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 18.359 1.534 6.307 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 -1.872 -1.004 16.190 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 4.744 -6.330 -1.814 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 5.327 -20.147 -4.387 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 4.399 2.712 0.906 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 -0.130 3.406 -4.909 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 4.554 2.922 -19.441 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 8.399 -2.397 -10.799 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 -0.091 1.627 -2.552 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 3.937 -6.964 4.234 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 -13.715 -4.943 -3.383 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 -2.558 -7.911 2.992 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 -4.538 -0.243 8.185 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 29.900 1.827 5.039 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 2.157 5.096 1.093 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 -0.349 11.663 4.620 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 1.285 -14.127 -7.701 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 -3.898 -6.936 -0.992 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 -16.643 12.922 -8.016 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 -4.400 6.984 6.758 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 2.761 -0.237 6.469 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 -0.060 7.358 12.787 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 13.548 11.336 10.229 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 -6.503 -1.270 -6.030 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 -5.685 5.725 -18.907 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 7.184 17.903 4.562 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 -5.674 -0.845 1.195 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 1.557 6.380 -16.384 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 2.157 10.910 5.504 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 2.627 -4.991 -5.220 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 16.544 3.849 8.639 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 8.425 -0.734 1.542 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 -1.480 3.344 0.643 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 14.122 -2.498 10.345 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 -16.820 1.568 15.041 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 1.989 -6.992 5.347 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 1.730 -3.115 9.745 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 -2.877 -4.658 0.134 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 1.756 -6.124 2.043 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 -13.169 -10.653 -13.126 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 28.003 -7.155 -5.800 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 -0.634 -3.254 0.079 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 -2.507 -3.221 -4.652 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 -13.177 -6.174 -9.470 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 -1.514 4.109 3.379 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 9.102 0.363 9.108 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 -1.751 4.330 -14.407 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 0.502 4.333 -5.763 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 -29.562 -1.560 -7.741 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 -7.303 29.648 -10.047 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 1.757 1.575 -9.698 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 -0.687 10.230 -12.858 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 1.999 2.692 -26.504 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 0.530 5.573 -3.917 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 -5.464 -4.032 9.588 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 2.900 14.865 -2.677 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 -1.013 -1.335 3.238 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 -16.025 0.747 -17.476 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 -17.674 9.301 -12.336 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 -2.639 -2.977 -0.666 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 -5.545 -6.715 -6.491 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 -11.923 -8.848 -10.213 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 -0.340 2.341 8.206 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 -0.543 3.235 6.198 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 -0.053 13.606 5.842 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 3.020 -4.460 -2.950 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 -2.518 2.024 4.780 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 52.269 -4.015 -30.159 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 -2.810 -1.539 0.939 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 14.634 -7.661 -13.052 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 -4.688 -9.952 5.844 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 -8.284 -4.920 -1.381 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 -24.594 9.007 -20.503 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 7.077 4.681 -12.180 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 -0.713 -1.970 -5.207 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 2.177 -14.511 -18.755 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 -27.842 -8.120 3.279 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 1.202 6.012 -1.698 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 17.400 24.424 -0.673 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 -19.225 -21.823 22.517 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 -1.651 7.395 4.113 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 10.973 5.589 -8.147 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 -13.553 13.946 -12.187 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 -5.388 3.630 2.979 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 -6.048 1.619 15.130 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 9.762 -0.851 -15.392 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 -3.214 4.114 -6.070 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 -1.273 1.945 -4.113 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 -2.944 11.256 -11.916 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 -3.383 -2.307 1.885 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 -0.465 11.202 16.364 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 12.471 -12.257 -2.913 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 6.044 2.509 1.479 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 12.317 -7.933 -10.110 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 18.729 10.516 -3.029 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 -2.888 3.712 5.070 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 -8.908 -7.222 -0.899 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 -9.946 15.857 0.035 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 1.584 -2.452 0.910 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 -13.858 14.708 -10.393 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 3.423 -4.151 4.417 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 1.492 -0.009 -2.266 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 -3.091 -3.635 7.938 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 6.525 17.164 6.700 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 -2.901 -1.425 -1.968 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 -11.967 0.937 -1.626 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 -13.196 23.763 -1.346 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 -1.544 -2.058 2.087 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 -2.905 -0.985 3.064 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 1.364 -9.621 -2.731 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 -0.453 5.184 -3.736 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 -8.431 9.804 -11.508 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 18.806 8.974 -6.133 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 2.027 2.184 -5.009 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 -1.288 -2.093 10.197 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 2.727 7.053 -11.891 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 7.537 1.676 4.465 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 11.193 -1.541 1.783 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 16.972 1.503 -7.100 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 -1.556 1.543 -2.142 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 5.117 0.861 10.115 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 -3.011 -0.482 -0.768 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 -0.135 -6.305 5.763 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 25.557 -7.608 -4.489 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 -1.156 1.146 28.794 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 -0.109 -3.275 5.000 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 5.113 -18.822 4.773 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 -2.409 -2.523 0.656 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 -0.463 -3.576 2.250 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 -5.893 -10.896 4.266 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 -6.013 -1.810 -2.121 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 -0.005 7.441 0.361 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 -11.740 9.499 -35.154 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 5.769 10.217 -5.405 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 -2.798 4.162 -5.969 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 1.777 14.149 4.437 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 -15.144 -1.434 -0.568 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 0.700 0.163 0.435 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 -2.607 -0.491 -8.438 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 2.363 -3.868 9.739 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 -2.479 2.019 3.565 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 15.592 -6.221 -19.416 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 6.264 -2.420 -7.314 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 2.854 -4.172 1.708 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 11.146 6.563 14.061 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 -3.775 -13.643 2.051 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 1.254 -5.256 -4.683 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 7.910 2.687 -3.103 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 -0.654 -3.581 -9.915 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 3.312 -5.516 -3.224 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 5.423 -11.904 -8.970 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 9.887 -2.165 -0.172 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 -3.268 -0.821 -0.773 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 -18.256 -20.996 -27.329 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 10.893 -9.501 21.704 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 -1.924 -4.956 -3.119 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 -10.017 -5.872 4.702 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 4.622 -4.853 -11.661 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 0.157 3.903 -0.247 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 -1.558 7.008 7.940 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 -0.297 7.020 -7.750 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 -1.462 -5.166 3.127 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 -11.439 14.091 -10.624 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 3.745 -15.445 7.556 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 1.388 -2.759 4.607 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 3.745 -26.866 -21.944 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 -11.237 1.601 -1.195 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 -1.255 -0.400 -1.138 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 -2.002 -0.623 3.241 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 -0.984 -1.074 -0.953 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 -4.234 5.692 5.734 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 1.803 11.279 18.561 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 -11.595 28.980 0.335 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 0.356 1.189 4.774 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 -13.211 -3.169 -4.009 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 7.928 15.565 11.395 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 3.114 -5.921 5.020 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 5.794 -5.398 -15.206 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 19.235 12.035 -6.294 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 0.318 -4.669 5.225 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 -12.300 -32.040 7.021 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 12.135 20.571 4.692 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 0.547 3.099 -6.624 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 2.999 7.561 -6.006 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 -0.483 -3.978 -13.585 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 0.969 1.343 -1.616 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 6.961 1.321 -4.558 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 4.178 3.360 4.110 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 -2.565 -1.439 -0.906 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 -4.691 -0.429 -0.837 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 18.258 -11.702 -3.640 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 2.544 3.151 2.266 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 -13.814 3.307 -22.100 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 -29.613 5.795 20.236 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 1.874 -0.596 5.025 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 11.011 -9.778 0.638 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 11.884 -4.451 23.619 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 -2.193 1.903 -9.163 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 -4.847 6.402 2.319 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 2.039 -11.188 17.109 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 -7.332 -1.404 -1.172 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 -4.836 0.067 3.776 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 -13.054 16.022 0.206 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 4.832 5.918 0.947 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 8.869 22.416 0.655 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 4.471 -25.480 -7.432 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 -0.540 2.869 -2.653 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 -5.544 4.619 -0.804 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 6.615 -0.385 -5.505 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 -9.942 -2.451 3.379 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 -10.045 11.618 3.374 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 4.679 -10.071 12.127 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 -0.132 -3.628 1.814 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 1.187 -8.141 1.037 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 3.132 -0.441 -1.445 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 -2.128 -6.324 -4.049 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 6.278 12.835 6.042 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 0.338 0.227 -1.717 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 4.279 -0.628 8.559 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 16.985 3.693 -6.305 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 -7.374 -14.552 29.999 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 -5.003 -6.470 -4.313 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 1.096 -6.136 -6.916 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 -20.730 4.982 29.469 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 3.029 -4.657 -2.557 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 16.757 4.668 18.435 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 4.264 0.472 1.657 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 1.619 -1.118 3.686 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 12.201 6.248 -3.299 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 9.072 -1.623 -2.360 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 0.101 -6.512 0.879 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 -0.600 -7.527 8.753 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 0.096 5.679 2.609 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 -5.939 9.702 -3.283 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 0.481 13.591 1.584 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 6.395 -4.933 -25.140 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 -7.381 -0.145 -1.052 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 -14.698 -2.814 9.118 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 -7.056 15.162 -0.503 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 4.776 3.510 0.354 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 -2.209 -5.101 5.024 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 -10.780 14.017 10.530 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 -2.481 1.241 4.372 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 -17.798 -4.735 6.191 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 -17.007 1.043 -21.405 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 -0.938 -3.767 4.688 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 7.226 -26.081 -3.973 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 -16.380 14.155 6.718 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 -0.148 2.206 -2.689 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 -30.390 3.135 24.281 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 0.890 -0.836 27.014 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 0.537 1.954 -1.779 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 -1.489 -6.338 -8.447 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 -12.852 -1.939 12.846 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 3.290 1.345 3.625 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 8.145 3.832 22.403 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 -0.583 9.135 -10.582 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 0.187 -1.523 -1.646 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 -4.271 -4.062 -2.015 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 15.717 11.306 1.180 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 -4.360 -0.702 1.732 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 5.604 15.187 -12.575 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 12.739 -10.450 11.784 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 -4.538 4.641 -5.244 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 8.583 -25.812 23.577 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 -1.421 10.867 29.570 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 4.998 -4.201 -1.031 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 -2.677 2.967 17.927 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 18.947 -3.399 -10.879 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 -4.290 5.541 1.233 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 -11.052 1.711 1.754 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 -4.469 11.616 11.144 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 -4.370 13.868 0.365 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 0.309 8.896 -7.198 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 12.605 0.871 -4.695 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 5.652 -1.784 4.703 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 2.845 7.041 -12.324 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 -7.034 3.290 -18.153 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 1.196 -0.975 -2.402 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 0.746 12.564 -32.760 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 10.585 6.596 13.739 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 -2.631 0.441 -2.239 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 -1.823 10.755 -4.722 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 0.119 -5.944 -16.986 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 -1.706 1.807 5.571 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 -6.428 14.609 -8.252 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 -1.118 12.670 25.583 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 2.023 0.962 5.171 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 1.943 7.096 9.697 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 5.894 3.517 1.428 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 -3.463 5.004 1.128 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 -11.631 -0.095 19.016 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 3.403 8.540 -4.737 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 0.313 0.904 -5.733 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 9.488 -4.350 -4.299 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 15.866 -14.175 -10.906 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 2.137 -2.632 8.148 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 4.606 -14.440 -19.875 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 11.641 -1.489 9.051 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 0.213 2.353 4.378 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 -1.573 7.032 -5.578 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 3.862 -3.147 12.476 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 0.219 -4.093 1.203 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 11.175 -3.079 23.202 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 -14.105 4.333 11.918 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 7.939 -1.225 -1.567 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 -11.950 -23.897 -7.762 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 -8.902 11.082 14.367 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 -2.558 2.280 -2.218 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 14.561 11.297 -2.011 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 -5.309 -14.609 -1.391 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 -3.373 -0.424 -0.344 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 7.297 22.334 -13.337 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 -15.915 -9.334 -3.555 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 0.161 1.985 0.572 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 0.005 9.462 4.715 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 10.756 -19.740 -4.102 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 10.342 -1.163 -9.311 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 23.489 -18.881 24.160 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 11.307 -5.172 -9.204 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 -3.992 6.186 5.373 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 8.826 -11.177 -3.201 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 -5.559 9.334 0.750 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 -4.404 -5.416 -2.168 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 -3.641 -5.402 0.575 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 -6.677 -6.022 -5.938 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 -0.277 1.384 -8.964 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 -3.989 -0.774 -2.552 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 -7.418 -4.548 -2.753 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 6.325 -0.259 4.474 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 4.285 8.839 0.335 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 -3.933 5.475 2.659 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 3.714 -6.515 0.369 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 -24.695 7.823 21.724 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 -5.204 -3.275 -13.815 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 -4.086 -6.533 0.536 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 -16.312 -8.995 9.599 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 -8.211 -2.482 12.264 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 -6.023 6.983 -0.487 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 -18.762 -5.646 6.823 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 -3.705 16.579 -1.715 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 1.833 2.974 -3.307 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 -14.305 7.657 -3.188 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 12.691 -1.599 9.003 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 1.863 2.931 -3.863 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 27.848 24.195 13.501 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 10.236 8.206 -1.601 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 2.177 -5.140 -0.745 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 8.100 8.534 3.320 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 6.622 2.732 5.599 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 3.303 -1.093 3.725 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 10.258 1.294 12.525 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 -3.067 -5.855 -9.245 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 -5.601 6.899 -1.651 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 -13.265 9.873 -7.534 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 -3.319 6.417 -0.974 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 3.286 -3.148 2.184 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 -13.016 21.457 14.846 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 -5.526 -6.559 -27.267 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 -7.131 3.426 6.442 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 20.793 11.186 -3.934 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 0.859 9.195 -3.179 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 6.633 -1.447 4.678 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 9.628 -5.150 6.399 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 6.250 10.627 17.012 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 5.340 3.019 -2.356 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 14.160 10.852 -7.908 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 -11.303 3.234 -8.240 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 0.588 -5.281 -3.429 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 8.601 1.821 7.500 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 2.267 9.880 3.312 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 -1.627 -4.996 0.021 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 -11.227 -6.497 -6.676 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 -5.448 -1.835 9.581 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 -4.197 -2.430 3.134 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 -18.703 2.861 -4.109 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 16.751 -7.219 0.299 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 -6.286 -0.985 -1.296 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 -2.178 -17.552 40.290 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 -10.880 -12.889 -25.800 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 0.650 3.318 -1.030 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 -17.212 -1.266 -0.706 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 -13.999 -20.445 9.300 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 -1.817 1.396 -2.099 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 6.649 15.978 10.506 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 2.617 -16.433 -13.585 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 4.855 2.264 6.004 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 8.246 -27.039 -19.033 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 4.303 -0.125 3.967 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 -1.874 1.819 -0.491 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 4.073 17.171 5.241 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 2.639 0.115 -9.834 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 -2.067 1.090 7.566 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 6.032 15.135 0.610 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 9.135 -6.126 18.148 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 0.753 0.535 1.677 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 -1.395 0.203 7.263 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 10.675 10.297 -16.925 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 -6.461 -1.155 2.319 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 -19.348 15.041 -4.279 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 4.236 -22.916 -9.621 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 1.610 4.913 2.360 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 -18.952 11.984 -25.449 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 -36.790 -11.340 -1.326 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 -4.953 2.453 4.196 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 -15.696 -4.828 -0.031 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 4.772 -6.021 15.645 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 -9.214 -3.960 -1.416 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 -10.933 10.330 -24.820 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 -5.007 -7.526 2.069 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 -0.545 -3.365 5.260 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 -3.041 -1.621 10.016 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 -2.050 -7.785 -3.165 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 -0.965 7.893 -3.379 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 1.544 11.444 7.445 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 8.330 2.552 -7.533 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 2.005 -9.428 -5.781 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 4.201 -7.824 9.542 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 -22.783 -9.165 -5.008 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 -5.547 -1.353 -2.670 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 -25.175 5.635 -14.384 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 1.191 12.058 -9.271 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 5.001 0.068 -4.907 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 11.285 14.050 -3.794 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 -14.422 16.118 -12.059 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 3.595 1.581 2.005 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 8.800 -0.565 5.384 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 -1.678 2.988 -1.696 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 -4.739 4.398 -1.876 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 -7.338 5.577 -0.665 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 14.336 5.297 -7.712 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 0.540 0.028 -2.229 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 10.031 -1.558 -17.079 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 18.035 -4.788 -7.346 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 -9.335 -1.902 -4.254 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 4.682 9.910 -47.944 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 -9.441 -14.859 18.836 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 1.517 3.047 9.046 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 6.750 5.063 13.465 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 -0.594 -8.338 10.171 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 -1.806 6.080 -4.660 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 -5.272 -2.945 -11.195 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 3.899 -5.727 4.502 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 8.491 -3.522 -2.566 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 8.869 1.007 -3.758 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 -14.527 -10.338 -10.079 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 -1.229 -2.712 -9.313 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 3.438 -1.583 -5.838 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 -5.102 1.780 -8.781 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 -6.945 1.518 -2.943 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 -8.458 -7.535 1.903 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 9.824 -4.602 0.178 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 -5.539 -1.008 0.954 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 -6.451 1.169 2.303 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 -3.613 -13.387 1.578 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 3.788 4.396 -4.936 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 5.283 6.214 2.929 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 1.126 -3.632 -6.364 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 -1.076 -3.389 -2.750 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 -0.558 -4.791 -2.349 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 0.368 -4.406 10.522 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 7.584 -0.620 -2.750 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 -16.265 -8.659 -11.262 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 -3.160 15.436 7.597 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 6.639 2.527 -0.323 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 -5.803 -3.559 12.355 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 4.123 -1.629 12.949 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 6.740 -6.915 4.556 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 21.431 -15.985 -10.294 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 -11.133 -2.238 -8.202 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 -1.159 -1.139 -0.052 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 -2.213 -1.886 -1.136 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 -24.447 11.709 -5.412 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 -9.583 10.799 1.615 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 16.690 -16.636 6.973 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 30.581 36.032 10.362 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 -1.550 -1.161 -6.607 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 -10.273 7.148 -10.787 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 25.443 -7.681 25.879 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 3.343 1.919 0.216 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 -12.747 1.614 11.099 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 -10.699 -3.772 -4.407 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 2.545 3.513 -7.351 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 -8.150 5.826 3.705 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 -14.322 4.081 15.452 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 0.520 2.972 2.795 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 0.361 -5.083 3.266 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 -29.892 -1.795 8.270 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 5.338 -5.391 -1.393 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 -16.799 -16.030 0.718 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 -9.543 2.060 -10.349 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 -1.245 -3.969 -2.879 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 -7.423 -1.417 -12.276 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 -1.039 7.284 -8.178 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 6.454 4.717 -2.967 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 15.325 12.901 0.166 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 10.652 8.125 -22.438 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 -0.265 3.905 0.769 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 6.088 -4.792 -18.070 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 -13.709 1.515 8.073 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 -3.582 -4.705 2.450 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 1.357 -14.068 -2.429 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 3.135 13.935 -3.815 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 -1.578 -1.006 -3.845 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 13.400 -9.348 -12.531 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 6.969 16.517 -5.769 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 4.142 -4.749 5.560 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 25.013 -9.307 9.346 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 13.094 8.901 2.842 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 -2.060 2.448 -2.355 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 -4.367 -6.990 3.150 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 0.782 11.534 2.143 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 9.433 -0.849 -1.485 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 1.003 -1.087 12.731 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 16.528 -0.615 -0.693 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 0.154 -1.210 -4.290 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 0.330 4.577 -5.296 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 0.370 -19.579 -3.151 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 -3.328 -3.156 0.696 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 11.885 8.982 16.231 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 1.957 1.238 4.394 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 3.793 1.022 1.674 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 -6.360 2.033 7.112 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 -3.012 -11.052 -3.443 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 0.501 2.348 8.983 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 11.669 5.016 -10.044 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 8.326 9.383 -4.564 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 1.048 -0.268 -1.361 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 -0.129 14.550 15.329 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 -0.091 -18.033 6.133 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 -1.759 1.005 -2.809 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 4.572 5.524 -2.113 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 -2.148 -1.371 2.712 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 6.097 2.323 0.885 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 18.524 6.232 22.903 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 10.333 -4.398 7.639 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 -3.804 -2.023 1.743 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 -7.189 3.095 21.821 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 12.863 -1.192 2.740 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 -2.487 4.295 -6.226 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 -2.773 12.573 2.554 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 -2.890 5.928 -5.491 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 1.320 -2.816 -4.379 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 2.184 -10.307 2.662 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 0.678 -15.762 9.060 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 3.954 4.032 -2.650 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 0.147 7.597 7.164 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 15.594 -9.729 -25.331 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 -2.292 -2.862 -7.032 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 8.214 2.265 -11.836 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 -5.278 -5.522 -6.003 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 -3.497 -1.697 -0.856 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 -1.966 4.042 -9.980 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 16.197 6.908 -2.170 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 -4.338 -0.298 5.400 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 -0.775 -8.390 18.313 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 4.033 -8.299 15.516 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 -1.245 -2.135 1.206 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 -13.864 -2.002 -15.961 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 35.509 12.841 -12.607 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 -1.615 -0.200 -0.578 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 12.011 -7.094 2.349 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 -10.704 -9.939 3.508 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 -2.760 -1.623 0.359 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 1.021 8.561 -0.352 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 -11.992 -24.738 3.161 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 -0.871 -0.362 -1.876 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 2.575 -0.005 1.972 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 0.537 -5.893 5.619 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 -1.158 5.303 1.471 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 -5.419 8.909 8.347 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 5.173 -0.367 4.874 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 -4.028 -3.158 4.008 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 -2.431 13.430 6.088 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 -11.148 -2.275 4.733 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 -0.608 -1.713 2.579 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 6.083 8.314 -5.236 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 8.107 16.091 -6.328 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 0.552 6.334 -3.166 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 11.091 2.782 6.534 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 6.886 6.386 3.638 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 0.280 3.063 -2.042 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 6.226 -1.753 -12.502 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 14.548 2.738 -2.042 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 -2.172 0.399 2.107 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 -4.170 -11.827 -8.727 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 0.806 3.875 11.195 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 0.347 0.820 9.342 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 -14.741 -8.630 8.803 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 -5.114 9.664 -1.934 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 -0.479 -1.599 0.730 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 0.454 2.230 2.298 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 1.633 3.249 4.354 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 -6.090 2.972 3.967 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 -22.537 16.628 21.710 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 -8.800 -10.187 11.588 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 5.247 6.239 3.261 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 -0.337 11.796 -2.414 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 11.291 3.326 0.381 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 -4.314 3.065 -0.072 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 -9.931 -6.504 23.229 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 -3.883 -8.333 -13.781 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 -1.692 0.723 11.039 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 9.179 -8.741 9.969 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 -16.025 10.226 9.527 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 2.087 -0.928 -2.153 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 -9.545 -12.592 -7.803 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 15.814 -2.715 11.861 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 0.991 -0.820 -3.764 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 -35.027 11.802 -9.967 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 -13.602 5.197 -7.528 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 -0.270 4.030 4.156 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 20.072 17.879 5.133 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 3.869 -13.750 -10.409 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 3.451 -0.210 -4.887 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 -11.806 14.082 10.613 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 -24.871 8.915 -24.549 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 -6.430 5.568 -4.734 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 0.913 14.179 41.339 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 -15.759 17.712 20.431 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 -2.762 1.246 2.004 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 2.275 -11.897 14.832 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 -14.345 -3.859 -7.511 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 -3.946 4.283 5.414 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 -16.476 6.065 -3.819 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 -17.177 1.863 -28.110 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 -1.683 7.484 1.685 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 -2.232 -25.897 -7.725 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 -0.347 22.892 1.969 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 -3.715 -7.577 -1.926 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 1.215 -13.982 6.442 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 3.967 10.687 -7.047 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 -4.131 1.992 -3.453 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 0.871 8.327 -13.971 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 2.923 -7.657 1.512 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 2.150 1.573 2.194 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 -1.965 2.253 12.884 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 -2.269 -4.949 6.531 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 6.328 0.507 4.486 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 -1.386 -10.024 7.717 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 2.462 -4.953 -2.327 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 1.693 -3.280 4.728 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 12.657 -8.724 10.150 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 -0.300 -0.749 0.560 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 -4.039 3.417 1.657 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 -2.887 16.650 -10.848 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 -19.593 -13.324 1.436 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 -0.444 -5.098 3.193 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 18.997 43.622 -10.261 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 -24.955 -1.096 3.770 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 1.441 8.142 1.847 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 -17.331 5.380 3.462 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 14.154 11.731 3.111 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 1.831 -2.699 -4.259 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 -5.802 1.675 -3.307 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 23.755 -14.840 -12.546 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 -2.464 -4.125 0.686 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 8.220 1.993 0.635 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 3.606 -3.041 4.270 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 -1.091 -3.377 3.830 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 10.319 -7.657 2.897 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 -10.784 0.985 1.584 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 3.858 -0.371 4.258 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 4.020 9.920 2.589 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 21.706 -7.430 -2.010 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 -4.085 6.338 2.372 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 3.107 4.524 5.890 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 0.503 9.041 7.559 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 -2.412 -2.013 -0.170 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 -1.800 20.242 16.153 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 -6.221 -15.808 -10.631 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 -1.758 -0.768 0.535 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 4.341 -0.692 3.150 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 -4.667 -0.791 -1.235 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 -10.376 1.479 0.674 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 11.101 -11.158 -6.097 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 -20.400 -17.631 -10.452 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 6.269 -0.036 2.613 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 7.486 -1.441 0.044 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 -1.202 1.749 -1.354 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 0.218 -2.471 -2.976 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 -15.342 17.372 -23.276 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 28.246 -23.117 36.405 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 -5.329 2.920 0.255 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 -9.626 7.570 -9.275 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 31.443 12.451 6.885 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 3.794 4.275 1.728 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 -9.769 3.408 3.127 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 1.320 9.409 -0.165 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 -3.780 2.591 -0.378 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 0.334 6.936 -9.239 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 -2.680 9.011 6.290 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 -1.609 -0.732 -3.794 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 -10.473 4.457 -8.225 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 6.016 -6.829 0.140 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 -3.835 -9.725 -6.285 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 -6.104 6.706 -17.369 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 -10.952 -0.561 -4.189 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 0.583 0.164 -4.331 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 9.389 -5.081 -0.036 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 -3.765 -5.213 -12.511 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 -3.356 -7.168 5.883 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 -7.831 -20.631 23.203 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 0.121 6.892 -4.712 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 -4.098 -5.057 -3.526 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 -3.986 -6.141 -0.354 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 -1.784 -1.837 -2.450 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 4.896 2.167 -6.672 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 7.835 -2.838 -3.551 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 3.323 3.284 -5.951 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 -4.363 9.802 4.719 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 -1.087 0.987 18.808 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 14.575 1.109 17.135 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 5.637 5.944 -8.136 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 6.440 3.375 -12.113 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 21.241 -0.696 -9.907 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 -5.266 -0.295 3.481 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 -10.530 -10.906 -15.040 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 0.977 7.248 11.132 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 -1.004 2.213 1.148 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 22.906 -14.274 -7.242 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 0.628 -3.411 14.495 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 -0.005 -0.189 -4.550 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 23.865 -7.160 -15.923 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 -6.114 17.177 5.015 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 4.990 -3.863 2.451 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 20.855 -9.527 -0.075 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 -4.380 -18.065 -6.437 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 -0.008 1.892 2.012 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 7.513 -28.309 16.304 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 1.436 -13.829 3.618 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 5.444 0.251 8.283 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 -6.871 -3.116 -4.137 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 1.973 -15.454 5.193 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 -3.000 1.876 -1.953 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 -23.748 11.546 12.427 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 15.087 -1.482 15.294 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 -8.587 3.067 -3.677 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 5.448 6.291 0.667 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 -16.981 -0.881 12.563 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 -1.092 0.517 4.817 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 5.311 9.127 0.588 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 12.541 25.323 13.706 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 6.845 0.113 0.673 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 -4.325 6.962 26.150 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 6.266 -25.518 -10.332 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 0.232 1.880 -2.991 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 41.788 12.016 -3.766 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 -6.265 -8.378 5.142 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 -1.848 2.261 0.389 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 19.982 -2.605 -14.492 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 -2.978 1.425 -17.448 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 3.287 -0.796 -4.075 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 -17.513 8.120 -8.686 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 -19.360 -16.078 18.282 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 -9.625 -0.352 2.778 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 -12.915 8.124 1.882 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 5.541 4.085 2.679 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 -1.541 -10.196 -5.173 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 14.255 -1.861 -8.199 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 -10.033 -1.686 21.240 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 10.648 -5.113 3.286 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 5.491 11.835 4.885 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 10.752 1.307 1.870 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 1.871 0.678 0.546 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 15.004 -5.362 -6.887 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 14.112 2.610 -9.364 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 2.107 -6.585 0.321 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 -3.375 4.414 -6.004 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 1.636 -20.715 -10.184 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 -7.171 0.541 2.373 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 3.721 1.691 8.575 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 -7.635 4.026 1.451 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 0.315 4.265 0.964 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 -14.683 -13.477 -19.481 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 -6.026 3.028 0.179 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 -0.524 -3.890 3.629 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 8.920 -10.617 4.044 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 -15.455 4.175 -5.919 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 3.545 -6.399 2.753 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 1.690 -2.566 -1.715 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 -9.026 10.583 9.669 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 2.495 -1.693 -4.318 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 2.152 13.033 -22.734 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 1.463 9.148 -24.823 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 -0.935 -5.199 -0.350 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 6.482 -1.783 0.279 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 2.922 -4.173 3.874 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 5.885 -2.674 -4.285 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 12.592 -4.340 -9.787 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 5.079 13.119 -19.457 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 -2.793 2.454 1.673 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 -44.092 -9.026 -3.576 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 3.929 4.892 16.917 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 -0.629 -4.081 0.787 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 -2.243 -25.011 2.829 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 15.120 -1.824 -13.876 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 -4.523 -4.301 9.448 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 11.268 -3.171 5.773 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 1.713 -9.465 9.944 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 -2.746 -3.880 2.554 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 2.253 -7.973 -29.079 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 -5.507 -1.064 -5.744 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 -4.535 0.572 10.134 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 24.430 15.845 -25.366 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 -10.812 12.994 12.863 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 2.201 1.513 5.484 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 -9.202 -21.266 -4.507 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 7.044 16.237 10.880 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 9.060 -2.338 1.834 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 6.680 -3.178 19.990 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 4.494 -2.186 7.412 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 -2.187 3.170 -0.715 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 -2.467 0.590 1.362 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 -3.702 -2.651 -0.342 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 -2.215 -4.799 -2.879 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 -1.025 -5.004 -10.954 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 2.263 -1.806 -0.142 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 -2.985 3.789 2.028 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 -14.706 25.470 11.717 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 -1.093 19.912 13.795 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 3.129 -2.703 7.147 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 5.718 -3.255 3.570 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 -0.325 -4.539 6.101 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 4.667 4.425 -3.933 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 -3.093 1.448 18.722 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 35.503 -6.574 -0.658 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 7.579 0.694 -8.172 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 -16.707 12.434 -22.148 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 5.459 1.431 -9.517 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 -0.116 1.727 1.716 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 -0.216 7.987 -9.112 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 -23.521 4.917 26.702 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 -1.407 -1.205 4.630 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 -10.073 1.447 13.670 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 2.724 -0.327 3.806 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 8.361 0.516 4.313 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 -27.609 -15.974 8.390 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 -5.536 -18.087 -6.115 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 6.295 2.600 -5.080 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 9.686 10.331 10.111 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 -24.275 1.936 6.248 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 -5.263 -5.527 0.070 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 -8.393 -0.780 4.809 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 -1.482 -10.436 6.012 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 0.569 1.587 -7.480 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 6.510 1.754 -9.731 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 6.054 -0.249 0.327 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 4.532 -0.687 0.907 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 -18.141 3.226 35.272 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 -0.289 -12.831 -8.166 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 4.104 -1.084 3.551 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 -50.578 -11.374 30.278 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 5.981 24.464 2.407 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 -1.314 -0.258 3.629 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 -26.323 5.225 16.671 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 20.780 11.125 -3.987 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 -2.167 -4.150 0.863 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 -17.752 4.896 3.199 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 -4.881 16.869 -23.345 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 -3.691 2.549 0.084 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 0.282 -2.786 15.559 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 1.044 -2.162 28.103 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 -0.383 -11.539 1.756 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 13.021 4.384 7.429 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 -1.670 -10.615 3.587 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 -6.544 -2.181 0.456 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 -22.182 -10.172 5.536 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 -1.838 -6.134 6.256 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 3.105 -6.651 -3.294 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 16.502 -12.458 -6.334 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 0.943 8.697 -13.942 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 -0.257 -1.078 2.567 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 -13.559 10.123 20.024 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 23.551 -11.274 6.887 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 3.554 -6.427 -4.441 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 -9.580 -15.160 13.052 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 1.396 2.112 -10.523 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 3.535 0.188 2.315 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 -10.488 7.023 29.203 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 12.512 -4.844 -15.097 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 0.698 -4.297 4.680 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 10.280 -14.455 -8.903 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 2.977 -10.395 0.774 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 -0.972 -0.104 -0.842 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 1.286 -5.852 1.238 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 7.834 3.990 -19.255 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 -1.083 0.561 5.062 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 32.453 -11.041 -21.543 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 0.042 9.147 10.868 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 7.078 -1.092 1.289 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 14.895 -2.792 3.016 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 3.704 -7.468 -7.101 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 -5.188 -1.905 8.628 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 -14.716 11.364 12.691 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 1.464 -9.477 18.671 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 0.774 -0.836 -7.642 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 4.724 22.482 3.721 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 -26.694 -1.793 -11.087 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 0.495 2.677 0.201 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 1.853 -0.755 6.554 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 3.227 6.818 -3.238 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 -2.376 -2.168 -4.327 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 -17.959 6.533 3.072 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 12.094 -1.168 13.957 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 -5.873 -2.985 8.700 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 -22.053 -49.349 2.811 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 -23.417 0.515 12.235 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 3.899 -2.640 -1.230 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 1.339 1.707 -14.389 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 -5.676 -2.355 -0.548 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 2.505 0.511 1.139 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 1.045 1.609 -6.308 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 -0.496 13.187 0.483 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 -3.794 0.072 -2.682 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 9.741 -4.531 -5.700 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 -23.654 5.525 4.548 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 0.772 -3.431 -2.193 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 1.024 2.231 9.014 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 -0.222 -5.353 -4.834 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 1.708 4.789 3.953 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 16.148 2.852 8.575 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 -7.696 3.456 -0.924 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 2.512 -1.940 -4.283 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 -13.293 -23.116 3.150 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 -0.694 -12.245 -8.487 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 0.728 -0.827 5.491 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 -5.583 4.667 -15.103 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 -7.489 -18.566 23.590 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 0.207 6.324 -1.343 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 -16.237 18.001 -2.987 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 5.469 5.246 -1.607 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 -0.780 4.586 2.857 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 9.695 -4.427 3.876 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 18.809 -8.495 -0.745 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 -5.145 5.942 -2.739 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 -19.140 -2.073 -13.628 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 -13.248 14.990 11.303 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 -6.221 2.228 0.060 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 -26.031 11.503 -14.010 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 -14.461 -4.079 0.035 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 -3.652 -7.598 -3.709 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 -21.988 -7.551 -3.729 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 -6.450 -2.071 18.138 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 6.407 0.765 -2.663 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 5.098 6.355 -6.869 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 -2.067 12.157 -3.315 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 -0.101 2.752 -1.143 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 3.122 19.551 -27.540 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 7.043 12.204 -8.514 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 2.778 -2.924 3.527 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 -27.020 7.820 -19.131 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 11.972 -22.978 3.371 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 -1.081 -0.240 1.785 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 -21.044 8.283 -8.267 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 -9.089 2.499 -2.277 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 5.782 6.249 -0.511 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 4.789 4.414 -2.020 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 7.312 0.996 -1.381 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 4.530 1.743 3.337 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 -0.073 -6.343 3.904 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 -10.354 7.803 -1.462 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 0.471 4.164 0.863 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 6.557 8.109 5.875 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 -5.139 12.821 -2.085 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 0.198 7.161 -1.008 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 6.496 5.092 -9.442 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 12.760 1.447 -2.882 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 4.699 -6.336 6.846 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 22.801 -15.865 -0.565 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 14.737 -8.063 13.494 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 -3.198 -1.538 0.962 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 -25.055 7.610 16.599 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 7.562 -5.690 3.138 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 2.168 -2.532 2.285 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 3.228 7.236 7.383 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 9.691 -22.628 3.787 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 -1.681 8.395 -6.565 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 -7.105 -9.005 -1.409 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 -2.450 16.889 9.057 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 -3.613 -5.775 3.877 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 -2.195 0.164 -2.419 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 -1.960 -1.428 4.697 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 -7.515 -5.579 2.428 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 13.225 -8.462 16.940 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 1.566 2.327 2.096 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 0.223 3.753 -2.815 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 0.888 17.022 4.446 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 -1.386 -1.414 -6.759 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 -2.406 -3.401 3.303 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 -14.062 -8.840 -19.813 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 11.497 3.479 29.520 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 -1.752 1.105 -0.439 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 21.785 -7.238 0.609 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 -10.856 10.950 33.846 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 4.390 3.361 -0.290 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 12.461 -8.353 12.208 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 -12.224 16.479 10.057 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 -0.071 -0.784 0.420 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 6.106 -5.610 -12.211 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 -17.361 -13.598 33.433 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 -1.665 1.541 1.882 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 -0.070 17.379 -13.518 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 -0.890 -13.675 14.185 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 3.704 -2.294 7.185 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 8.186 4.399 3.890 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 4.236 -14.053 9.845 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 -0.130 0.160 -2.435 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 6.297 7.230 6.459 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 -11.580 6.709 -2.295 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 -6.422 4.599 -1.353 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 -3.743 -9.123 12.051 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 -6.695 -3.095 11.929 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 -1.311 0.113 2.750 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 7.746 -3.544 6.787 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 -2.632 2.280 -9.286 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 -1.037 4.752 -9.479 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 -13.498 13.706 -28.650 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 -5.381 -8.831 11.569 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 1.201 0.856 -1.675 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 -1.387 15.337 -16.492 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 14.315 23.325 8.342 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 -0.254 -0.321 -1.338 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 -1.332 -18.155 -7.711 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 -1.861 -4.508 13.738 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 -4.476 2.675 3.552 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 -3.525 1.743 -1.312 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 -3.537 -1.449 -8.938 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 -1.657 -6.231 -2.596 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 -9.246 4.290 -0.586 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 4.972 -7.365 5.809 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 -3.002 3.802 -3.802 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 -1.681 17.726 -8.583 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 0.641 -4.881 -21.633 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 -2.508 2.435 -4.191 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 17.152 -7.051 0.605 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 5.118 -1.764 -10.481 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 -3.026 4.416 2.369 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 8.565 -7.200 1.310 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 23.543 -5.902 15.882 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 1.360 2.658 5.047 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 -17.201 9.937 10.504 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 -28.022 15.895 18.272 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 -1.747 -3.871 1.398 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 -2.906 9.461 -5.956 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 0.717 -13.460 -0.776 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 1.994 2.666 2.738 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 -0.223 2.506 -10.032 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 -3.239 -0.829 9.262 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 -1.666 6.331 5.524 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 -5.891 -11.040 -16.558 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 10.613 13.291 -7.855 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 -5.173 -6.142 -0.284 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 -12.471 -6.117 -15.910 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 19.335 13.920 -18.378 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 1.057 -7.340 -3.278 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 2.969 0.030 -5.410 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 -3.080 -5.087 -2.162 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 3.881 7.207 6.230 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 -19.874 13.564 13.925 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 2.660 -5.732 -9.571 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 -0.332 1.140 1.067 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 13.794 4.802 -1.205 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 -14.484 15.440 -7.387 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 -1.111 -4.271 1.060 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 2.719 1.762 9.422 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 22.227 -2.139 16.967 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 -4.818 2.778 -0.524 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 -6.366 -10.937 20.011 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 17.189 16.108 -10.823 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 -3.049 1.455 3.933 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 -7.167 7.393 4.136 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 -6.685 -2.256 0.716 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 -5.103 -1.046 -1.341 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 18.587 -10.416 -9.030 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 2.416 -5.563 -3.206 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 6.753 -1.483 2.181 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 12.851 -11.214 -17.617 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 -20.725 -12.798 -16.249 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 -2.633 -3.429 -1.427 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 4.650 -6.342 -4.778 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 -11.400 -1.815 2.646 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 8.244 -1.137 0.619 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 -3.165 14.523 12.263 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 5.384 -13.161 11.680 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 3.343 -0.406 1.493 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 1.160 -4.902 12.914 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 -6.120 -12.123 -9.977 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 4.411 3.392 -3.206 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 14.395 18.509 -11.127 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 5.222 7.667 15.852 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 -1.634 -2.251 -0.355 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 13.548 4.575 10.366 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 -0.083 8.055 -18.329 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 -7.392 -0.230 -2.257 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 -18.093 2.140 -13.853 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 -7.734 6.588 -0.908 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 -7.959 3.243 2.996 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 -6.295 -3.649 -4.285 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 -6.590 9.121 -0.659 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 1.968 -3.075 2.296 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 12.244 25.190 -28.532 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 7.462 -19.771 -13.708 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 3.658 -1.652 4.819 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 12.709 20.699 8.850 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 5.290 -10.311 20.842 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 5.782 0.714 -0.319 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 -15.371 -19.666 -7.333 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 -21.686 1.504 -31.286 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 4.370 1.871 -5.047 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 12.808 3.081 6.619 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 7.211 0.850 -7.549 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 -3.551 -3.136 0.030 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 5.888 -12.733 -9.603 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 -11.368 25.745 -2.630 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 0.995 -6.430 -10.438 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 21.534 14.085 22.961 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 7.295 -20.077 -21.136 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 -3.481 6.613 0.670 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 -8.609 11.359 3.311 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 -1.398 4.182 6.950 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 -0.628 2.803 -2.996 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 -3.130 20.809 5.303 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 -0.058 -8.643 -8.546 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 -5.526 4.270 -2.884 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 10.169 11.145 -3.297 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 3.969 10.837 -5.681 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 -4.019 1.071 -0.757 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 -3.260 -6.636 5.757 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 6.282 4.146 -2.032 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 1.130 0.368 -5.752 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 -5.882 -9.563 15.439 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 17.961 -8.987 -2.287 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 1.250 -1.269 -6.409 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 9.050 -8.591 -13.736 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 -1.391 -11.237 -25.892 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 -7.648 3.999 4.761 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 -6.339 -4.970 8.458 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 -3.185 -25.738 16.980 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 -6.178 -0.588 -1.848 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 -1.704 -2.456 3.563 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 -10.020 -16.434 21.381 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 -6.827 -2.143 -4.548 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 8.351 19.169 -12.225 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 -14.964 20.898 -4.507 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 -5.058 -1.935 -4.877 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 6.286 -27.351 -10.121 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 -5.833 -12.715 -0.042 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 1.614 -0.934 -2.406 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 14.907 -5.636 7.054 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 -8.655 -1.094 -14.888 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 -1.747 0.627 0.819 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 6.272 15.816 3.076 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 -6.295 -8.084 0.974 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 -4.428 -0.490 -1.950 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 -11.123 -1.607 1.305 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 -6.880 -0.643 0.852 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 2.336 -7.838 -2.018 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 7.434 -7.456 8.281 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 3.776 -7.188 -0.541 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 -2.987 0.990 -0.033 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 -5.775 2.377 6.639 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 -1.582 -1.076 -2.365 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 -1.605 0.102 0.628 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 -0.974 6.656 -11.548 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 -2.367 26.877 -6.962 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 -1.668 6.352 1.600 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 8.302 -0.317 14.980 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 -12.029 13.440 -12.829 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 0.530 3.669 -0.393 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 1.816 -2.842 1.373 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 13.216 7.819 -7.599 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 -9.927 1.072 1.943 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 -0.087 40.690 22.446 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 -18.618 5.949 -11.319 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 -0.366 0.532 0.926 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 -2.100 15.062 -0.420 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 4.858 -14.936 -0.052 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 -2.029 2.554 -0.527 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 0.230 -0.643 10.078 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 3.856 0.954 -16.376 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 3.875 1.891 -1.323 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 -8.942 11.656 9.135 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 4.262 15.645 -0.369 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 -1.773 7.083 3.573 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 17.747 19.211 13.265 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 5.863 13.561 11.206 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 1.535 -6.765 1.884 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 -11.000 -1.009 28.176 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 -23.273 11.350 -16.171 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 -6.245 -2.548 -0.011 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 -1.416 -1.255 -1.524 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 -1.189 1.796 1.228 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 3.889 5.616 -2.268 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 -1.085 11.242 13.893 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 -9.408 2.890 -11.511 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 5.475 -4.993 -5.391 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 -3.252 -10.839 2.504 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 21.514 -16.252 -6.499 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 7.485 4.192 0.171 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 11.759 -9.922 -17.285 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 15.712 -22.881 7.761 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 -1.546 -2.563 5.067 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 2.906 -15.610 14.373 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 -16.014 5.637 -6.873 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 -3.030 -2.800 6.005 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 -12.617 0.878 6.233 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 16.010 -11.363 5.283 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 0.192 -0.821 -6.516 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 20.788 -10.926 9.075 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 6.122 -7.095 -10.065 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 -4.626 2.725 -1.539 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 1.446 12.096 -1.226 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 -30.115 -23.848 -1.258 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 5.449 7.197 -0.595 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 1.044 5.238 -5.939 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 27.627 -7.568 -29.898 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 5.663 3.653 3.992 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 2.871 10.998 3.803 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 -2.030 -11.133 11.203 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 -3.639 -2.793 1.330 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 2.679 0.083 -0.076 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 -3.170 -6.036 7.381 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 -2.090 -2.077 -2.252 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 9.114 7.553 -15.602 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 -10.163 4.765 -3.738 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 -0.354 -3.722 1.644 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 -2.079 -12.715 8.820 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 -4.308 -22.342 15.918 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 -0.653 -1.972 -6.669 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 -18.169 -0.284 -4.033 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 7.975 -4.570 12.128 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 -7.479 -5.231 3.995 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 3.551 -5.672 -12.659 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 -9.285 -8.320 9.418 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 -4.189 9.516 -0.421 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 8.462 -14.332 16.303 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 -16.778 1.702 -10.735 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 -0.854 -3.070 3.037 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 9.856 -4.777 11.703 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 -2.755 -0.077 -5.915 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 3.032 1.742 2.908 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 14.669 12.630 36.635 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 -10.970 16.353 -13.229 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 0.938 6.291 -2.278 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 -6.082 11.527 14.339 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 6.013 -10.277 0.078 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 -3.562 0.040 -7.550 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 -4.983 11.893 -7.834 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 -10.426 -10.949 7.042 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 -3.315 -0.524 1.633 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 1.951 -12.112 -2.561 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 3.273 3.337 19.537 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 -4.211 -4.612 1.338 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 -4.432 -9.680 8.852 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 -4.381 -4.283 13.230 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 7.407 -6.143 2.441 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 17.855 -14.513 -8.779 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 7.151 -6.288 -2.504 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 -2.105 -1.059 0.763 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 3.339 10.991 -8.132 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 -6.462 -4.122 2.706 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 1.314 -0.544 0.682 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 7.529 13.241 6.731 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 8.392 -4.546 2.424 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 4.131 -0.481 -0.696 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 -1.124 -19.406 2.122 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 10.997 17.542 6.079 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 3.209 3.142 -4.901 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 15.693 18.266 25.898 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 12.684 -8.050 -0.532 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 -0.545 0.459 -0.743 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 -10.829 13.245 1.487 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 -19.032 3.816 7.637 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 1.943 0.323 -5.151 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 9.246 3.777 -1.993 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 0.843 3.037 -3.543 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 -1.119 6.475 10.504 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 14.332 14.242 7.315 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 -8.923 -0.080 1.934 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 -0.484 3.852 1.438 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 -4.864 5.658 6.689 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 9.841 0.327 -4.322 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 1.654 -1.725 -1.267 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 3.074 -24.041 -2.379 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 -14.146 -11.798 5.451 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 5.790 1.058 0.870 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 8.691 0.156 -0.071 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 1.183 -2.198 -4.122 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 4.238 -2.728 -5.486 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 16.121 11.469 -0.498 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 -6.337 -11.566 10.309 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 6.168 0.675 7.043 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 2.996 15.274 5.648 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 7.618 -5.376 0.257 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 -2.485 -2.117 1.141 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 -16.347 7.094 -8.240 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 -5.721 -5.183 7.435 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 1.158 3.203 -8.722 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 2.177 0.994 -1.889 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 1.740 -12.930 9.775 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 8.836 -3.982 2.658 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 26.553 -5.703 9.807 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 -4.026 -14.400 4.930 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 -1.791 1.720 -9.889 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 9.338 1.235 -5.230 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 -2.572 -7.037 -14.240 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 -3.850 -3.663 -0.515 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 16.711 -1.714 12.846 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 -3.300 -7.619 1.241 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 0.400 -3.287 -9.233 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 -5.523 -2.792 -8.517 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 -12.861 9.783 -23.094 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 2.761 -0.333 4.695 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 2.253 -1.531 5.077 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 1.652 -2.127 4.157 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 1.171 1.345 -1.868 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 -8.176 -3.540 -5.659 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 14.221 15.422 17.916 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 1.729 -0.116 1.618 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 8.360 -4.379 4.490 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 4.986 -24.173 9.755 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 -2.772 0.541 -3.880 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 29.268 -12.545 22.572 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 -1.801 5.216 5.164 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 -1.685 5.815 6.504 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 2.369 -9.540 -5.746 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 -9.077 13.965 -13.370 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 -2.140 -2.386 -3.245 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 -4.218 11.599 3.128 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 -4.926 -6.285 -5.582 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 7.342 6.355 -1.987 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 -1.683 12.379 -7.356 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 2.703 10.487 -4.703 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 0.420 2.589 -4.959 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 6.044 -31.317 -13.046 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 0.387 -5.511 -16.001 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 3.287 0.177 4.708 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 7.570 10.357 -4.879 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 0.518 6.761 16.768 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 1.615 -2.705 -0.115 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 -3.394 -23.960 15.333 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 -19.283 1.487 26.393 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 -1.424 3.809 -0.130 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 10.506 -0.973 9.545 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 -6.227 4.793 4.655 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 0.320 -2.875 -3.206 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 -3.621 16.485 8.216 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 0.295 -6.718 -2.628 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 -1.354 -0.266 1.362 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 4.557 -7.646 -10.777 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 16.859 -13.482 0.899 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 -5.168 -0.073 -0.431 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 4.503 0.528 -21.315 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 4.607 3.376 14.968 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 9.616 5.387 -2.939 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 7.358 21.539 -1.599 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 9.680 7.414 -4.836 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 2.177 1.671 4.032 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 9.287 11.240 7.066 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 9.437 -5.500 6.581 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 -1.147 -0.610 -0.527 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 7.355 6.519 9.084 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 14.506 -10.381 9.450 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 2.012 3.639 -2.608 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 10.809 -8.184 -11.653 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 20.680 9.344 -2.787 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 -0.510 4.936 3.652 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 6.251 3.427 -2.614 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 0.486 -4.628 -4.170 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 -1.810 0.182 -0.242 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 -1.594 0.774 5.887 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 0.991 -5.234 -4.083 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 -10.326 -1.840 1.392 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 -5.601 14.629 8.109 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 -4.580 -9.758 -4.315 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 -2.440 0.611 3.698 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 -2.993 -1.299 1.006 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 5.586 11.447 -1.947 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 1.392 -1.611 7.908 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 8.654 8.714 17.001 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 9.578 12.926 15.052 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 -1.815 9.136 6.478 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 -9.247 3.470 -14.077 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 8.924 -27.545 29.820 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 4.813 2.499 -3.331 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 -10.016 4.922 21.192 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 -20.806 -20.929 34.775 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 0.949 -5.509 -5.975 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 1.737 -10.912 -1.786 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 -7.081 -8.925 15.555 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 -3.201 -1.574 -0.112 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 9.365 4.654 -5.332 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 -0.163 -10.924 -3.352 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 3.094 1.212 -4.923 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 2.288 8.589 5.181 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 -1.746 -6.002 11.688 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 7.094 -0.704 5.610 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 28.618 8.132 24.702 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 -9.499 -3.094 -13.608 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 2.906 0.246 -5.870 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 17.837 0.432 -12.632 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 5.473 12.135 1.407 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 2.798 -5.969 1.099 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 -6.045 -15.424 1.411 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 -5.481 -10.163 2.390 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 -0.143 -4.273 4.541 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 14.433 -11.858 0.661 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 21.454 -6.941 0.220 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 -1.315 1.828 3.969 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 4.800 -15.094 -9.583 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 -18.302 -2.995 21.127 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 4.394 -2.248 3.592 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 7.713 -4.354 -3.825 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 1.050 -6.677 13.828 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 -0.104 -5.727 0.945 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 -7.214 9.710 7.098 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 25.420 -12.356 0.703 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 0.245 -1.089 -2.803 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 4.651 -16.820 3.614 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 -2.650 -12.521 -3.139 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 -3.245 -5.620 4.257 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 -6.542 8.151 3.480 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 -3.798 -9.628 16.530 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 3.756 -9.276 1.786 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 -8.862 4.247 -0.661 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 -5.672 -5.073 16.565 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 -1.092 2.194 3.100 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 -25.930 -19.625 19.063 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 6.326 7.638 16.847 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 1.704 -5.000 4.997 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 -22.512 23.288 4.711 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 -11.078 -17.162 -12.818 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 -2.624 4.175 -3.613 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 -8.886 -8.452 -8.160 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 12.654 5.948 8.121 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 -3.975 -1.738 -5.910 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 -16.688 -5.735 -1.347 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 -13.236 -16.083 -5.766 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 2.966 3.403 -3.028 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 2.440 18.053 -3.557 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 -0.847 -7.252 3.832 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 4.724 -3.161 -4.653 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 -17.319 -10.952 -18.443 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 10.377 17.512 15.046 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 4.333 -1.361 -1.787 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 6.644 13.512 -13.317 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 -7.801 17.028 22.009 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 0.081 3.340 -1.542 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 19.942 -14.726 -6.741 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 -6.912 17.047 -0.344 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 -0.968 3.207 -3.100 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 1.037 -0.885 -2.030 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 -5.391 7.479 1.594 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 -2.899 3.372 1.178 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 -0.057 -12.825 -4.639 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 15.008 11.538 -25.389 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 0.090 -5.013 -3.520 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 12.177 -1.087 -6.620 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 -1.108 -4.116 2.420 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 -1.919 1.045 3.154 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 10.460 10.639 3.552 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 -13.712 12.391 7.952 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 7.521 0.214 -1.756 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 -7.667 -8.576 -11.411 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 -20.381 8.662 25.642 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 -2.467 -0.972 2.869 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 -0.107 9.065 2.428 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 -14.104 -7.068 3.805 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 4.275 1.510 0.803 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 0.696 -10.903 -13.402 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 3.474 -16.212 10.733 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 -6.432 11.831 -2.373 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 -6.393 2.555 5.899 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 -5.914 4.043 6.603 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 -3.582 3.702 -5.041 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 -26.256 29.311 11.352 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 11.186 -4.579 -20.334 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 -3.566 2.523 4.218 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 -14.501 9.952 -3.706 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 3.846 -1.173 19.222 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 2.309 3.350 -2.541 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 27.795 0.410 16.897 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 -4.583 6.734 -9.395 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 7.728 1.428 3.268 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 5.375 -11.710 -25.143 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 13.761 20.569 4.053 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 4.596 -1.692 0.285 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 2.696 -2.935 -6.550 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 5.770 9.321 -3.866 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 0.678 1.691 0.729 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 3.356 8.815 1.048 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 3.941 -1.633 -4.849 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 -3.468 0.742 -4.757 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 -12.484 10.536 12.478 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 -6.241 -13.952 14.144 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 3.474 -1.116 4.378 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 0.823 -5.988 11.692 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 29.114 14.887 -38.688 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 -5.031 -5.325 1.665 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 -2.710 -3.144 1.541 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 1.561 1.896 1.502 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 -3.751 1.737 -5.758 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 10.706 18.154 -6.337 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 3.939 -13.154 -17.311 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 -0.724 0.818 0.781 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 -20.764 12.662 18.268 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 18.557 -11.018 17.283 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 -8.825 -0.750 -0.107 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 -13.629 -1.492 -2.131 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 25.371 16.057 15.565 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 -2.394 -0.510 4.451 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 -0.710 -1.561 -0.424 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 13.139 -2.441 -2.008 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 -0.291 0.952 -1.944 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 3.883 8.493 -3.220 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 5.022 7.301 15.514 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 4.520 -4.637 -0.774 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 14.558 -10.831 -6.316 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 -13.599 5.680 20.602 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 -4.356 -2.710 0.498 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 -9.419 -22.756 4.297 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 -2.031 9.018 1.690 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 0.318 -5.264 -0.053 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 -0.642 -6.769 -7.726 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 -5.579 13.668 -9.000 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 4.822 2.263 -0.421 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 -2.768 0.178 -3.550 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 5.697 9.313 -11.085 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 -5.888 2.292 8.170 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 -6.899 4.458 6.152 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 -14.402 20.914 -0.909 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 -1.685 5.076 5.363 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 -21.673 -25.792 20.255 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 -7.469 -2.665 9.020 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 -4.220 7.409 3.089 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 -7.956 16.801 6.064 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 20.698 4.624 -10.575 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 1.218 0.134 -3.019 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 18.932 -14.936 -14.165 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 -28.700 4.654 10.994 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 7.421 -0.037 -0.931 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 -7.574 -17.200 -4.334 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 -0.036 0.336 -9.788 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 1.048 -8.085 0.929 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 7.798 -11.135 -0.551 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 -7.626 -0.184 2.467 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 4.359 1.174 5.049 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 -5.201 -2.696 -2.265 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 -0.036 -7.553 16.807 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 0.967 0.548 -2.187 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 -6.703 5.329 -0.464 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 7.610 7.013 0.738 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 4.887 0.114 12.117 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 6.992 -20.821 15.220 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 -5.691 3.589 -5.758 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 -2.113 3.869 -7.709 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 9.693 5.959 1.102 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 -8.164 -6.919 -7.947 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 -11.323 -0.347 -4.855 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 24.234 2.452 -31.362 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 -20.112 -1.719 -2.825 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 -1.893 0.718 -7.470 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 -0.012 -9.242 -16.964 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 6.838 6.794 -30.451 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 -3.923 -2.974 -8.005 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 8.943 7.151 -0.021 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 13.779 17.606 -6.312 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 2.278 -2.601 -0.469 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 6.446 -6.602 -0.450 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 9.341 -2.937 -14.444 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 1.865 -3.408 3.537 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 -22.436 -1.653 -10.449 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 29.582 -5.646 14.090 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 2.179 -2.256 2.217 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 -7.444 11.554 0.352 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 -0.943 1.952 5.411 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 -2.641 -1.550 -1.485 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 6.259 12.440 6.035 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 -6.486 5.602 -16.391 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 -3.674 -3.927 0.523 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 -2.379 -24.446 21.086 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 4.762 -20.109 -30.690 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 -0.087 2.297 1.991 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 4.637 -16.781 1.856 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 4.696 31.459 9.641 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 3.420 4.673 2.594 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 -0.485 19.797 5.154 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 -14.278 18.640 2.493 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 6.140 5.977 -0.938 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 -1.645 3.751 -7.362 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 -1.751 -3.598 -3.113 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 -1.597 -9.821 6.863 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 9.800 0.283 -5.388 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 -24.393 5.071 11.440 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 3.037 4.379 -3.698 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 16.026 14.242 -19.429 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 -8.342 26.774 -5.358 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 -0.525 -2.519 3.489 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 -0.353 -13.014 11.147 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 -1.231 -8.476 7.020 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 -8.665 -3.835 0.853 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 -23.877 -11.951 6.799 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 -2.485 -34.879 -0.111 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 -4.995 -2.100 8.228 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 -15.669 3.586 -0.255 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 7.778 5.352 6.482 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 0.943 2.224 0.344 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 25.537 4.720 -6.585 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 -35.181 -3.824 14.435 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 -3.510 -2.768 -0.190 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 -0.114 -12.909 -12.914 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 17.620 15.951 21.086 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 1.461 8.302 -3.046 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 -4.870 1.895 5.989 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 -2.620 -3.773 11.607 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 1.956 -1.975 -5.615 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 0.480 1.887 -1.443 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 6.218 -34.643 -32.941 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 0.645 -1.537 0.004 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 -38.037 -7.875 18.610 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 1.357 40.496 -3.492 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 6.327 -6.445 -0.419 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 -0.698 -5.671 20.403 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 1.925 16.261 -3.373 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 -3.448 -8.571 -6.182 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 -8.006 -15.889 5.604 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 -3.659 -12.750 -13.830 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 0.419 -2.095 1.630 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 1.630 -17.102 -5.272 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 0.730 -3.710 0.806 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 0.250 8.649 1.121 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 -39.332 -2.312 16.427 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 10.174 14.205 0.136 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 -5.255 -0.398 2.578 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 0.536 -12.284 6.048 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 -6.780 -12.602 23.270 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 -7.791 0.832 0.740 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 2.129 9.451 3.348 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 -8.431 20.096 -10.755 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 -0.140 3.594 -1.962 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 -2.004 3.729 -7.052 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 -5.030 10.767 -6.644 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 -0.340 -2.111 -2.446 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 -4.721 -11.490 -4.848 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 -22.541 7.897 12.949 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 3.369 1.644 -1.032 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 -8.140 -16.565 -6.856 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 4.059 -2.830 -4.087 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 3.960 -5.747 0.837 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 -1.350 11.936 20.979 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 4.784 -10.921 -4.513 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 -2.479 0.839 -2.907 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 8.828 3.287 8.616 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 -25.284 2.302 -7.388 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 -2.484 0.869 5.388 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 3.371 -8.934 -2.848 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 7.197 10.859 8.987 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 0.793 -5.762 -4.985 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 -2.836 -18.378 -1.718 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 -7.222 1.698 -12.365 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 3.410 5.881 -1.703 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 -11.870 5.676 -3.069 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 16.957 8.374 -0.039 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 -2.819 1.738 1.327 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 -2.171 1.667 -3.079 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 -3.127 4.443 6.005 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 2.655 -0.211 -1.040 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 11.361 -7.499 -13.714 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 -0.325 1.498 5.076 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 -0.503 3.332 -1.830 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 -9.658 11.747 1.935 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 3.715 -0.002 -2.712 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 6.985 0.555 1.457 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 5.272 -22.533 3.903 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 -17.044 -13.636 -12.715 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 0.332 0.814 -0.477 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 -1.384 1.164 -16.299 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 -11.065 -8.165 5.303 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 -5.103 1.334 -2.912 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 -1.051 -5.880 -15.145 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 -0.749 -5.573 4.396 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 -2.856 -4.898 -8.342 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 -13.971 6.981 -12.824 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 -15.879 -11.264 -18.075 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 2.564 -1.081 -1.055 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 13.520 24.379 -5.280 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 -1.821 -13.286 0.957 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 -3.998 -6.959 -2.927 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 -10.827 -4.373 1.395 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 -15.501 1.590 6.835 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 -1.580 4.119 -5.909 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 5.638 -24.949 21.716 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 -12.723 -13.705 15.222 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 3.540 -3.119 -1.065 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 -9.166 -4.729 -6.103 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 7.285 9.560 -3.961 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 0.628 1.669 4.656 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 -0.190 3.833 5.641 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 -8.033 23.520 0.618 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 6.727 5.466 7.959 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 -1.336 -9.353 9.155 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 4.614 -26.077 2.933 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 -7.521 0.197 -1.819 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 -13.340 -14.673 -11.188 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -6.598 20.569 16.679 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 -1.682 -0.520 -9.710 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 21.474 -2.892 18.706 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 4.008 -6.039 -9.086 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 -2.483 -10.129 -0.850 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 -2.212 -22.304 -5.897 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 -1.387 -14.229 -9.063 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 -7.752 -1.966 0.384 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 -3.608 3.467 -11.143 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 3.832 0.926 11.131 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 -2.794 -0.213 6.353 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 -1.563 0.566 4.018 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 -4.609 16.947 15.988 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 4.697 4.683 -7.776 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 22.395 -9.937 -2.693 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 0.067 24.186 -18.112 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 -5.012 -1.575 -5.649 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 4.837 5.918 -6.576 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 -1.751 -8.998 24.461 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 -2.226 -5.137 3.118 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 -9.408 -1.995 6.278 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 -16.997 5.504 1.769 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 4.754 -3.031 -5.544 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 17.814 7.781 4.941 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 15.725 2.377 12.243 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 7.433 2.415 -3.547 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 6.409 8.628 -3.377 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 6.696 -14.170 2.439 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 -4.399 -0.670 -0.601 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 -5.477 3.429 8.498 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 -5.468 -12.751 2.707 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 1.733 3.612 0.175 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 -10.876 -4.769 -9.545 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 -11.807 -2.347 -1.310 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 0.445 -1.678 3.587 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 -0.893 -0.127 18.945 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -13.222 4.253 -5.254 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 -2.631 -2.183 -1.433 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 -8.612 6.549 -4.081 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 16.499 14.825 -14.639 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 -3.592 -1.331 1.386 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 -11.914 22.675 -22.065 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 -4.969 10.890 -8.803 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 -1.131 0.540 4.892 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 22.005 2.850 -7.135 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 1.742 14.033 7.924 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 -7.024 1.379 -0.483 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 -8.543 -2.086 8.589 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 -13.262 -4.405 7.635 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 -4.313 -3.102 5.585 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 -1.141 2.288 1.613 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 -2.035 -3.152 5.427 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 -1.471 0.321 -0.172 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 3.237 -4.464 -9.341 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 2.734 7.388 0.250 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 4.015 -0.144 2.543 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 23.403 3.264 10.465 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 -32.401 0.638 -23.484 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 1.024 -6.288 0.977 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 5.395 -6.664 5.980 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 -0.173 -22.198 -8.532 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 -1.754 -6.003 -8.468 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 -7.577 -17.696 -10.150 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 -0.859 -8.380 -1.354 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 -6.746 3.217 -0.198 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 -22.508 6.582 1.199 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 22.147 -8.584 -7.989 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 1.300 4.734 -1.397 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 6.156 17.229 3.921 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -2.948 -0.712 -1.357 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 6.154 4.805 0.666 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 4.530 4.900 9.733 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 0.136 11.066 10.080 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 2.475 4.096 0.048 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 -10.584 -22.139 14.360 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 -11.453 10.649 -1.478 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 1.301 6.488 5.572 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 2.652 3.763 13.333 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 -4.706 8.687 11.689 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 1.310 -0.122 -3.605 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 6.786 6.521 1.339 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 -1.983 3.943 -18.921 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 -5.734 3.034 -6.502 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 6.374 9.614 -3.010 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 7.183 6.604 4.064 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 4.322 -2.064 -8.025 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 -16.965 16.839 0.019 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 9.395 -8.893 -11.244 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 -0.096 -0.546 4.844 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 -9.633 -9.943 24.665 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 0.424 12.860 -5.541 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 -5.050 6.520 1.534 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 -14.151 -3.056 4.786 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 9.773 12.534 -8.484 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 2.777 -7.516 -1.467 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 16.851 -8.136 13.491 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 -14.702 6.186 0.900 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 4.002 0.697 9.482 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 -0.029 5.030 -13.058 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 23.978 -7.137 -2.053 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 -1.596 -3.493 -0.563 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 -8.205 -1.462 8.407 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 12.326 -0.408 -17.694 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 -3.068 0.065 3.104 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 -8.429 -26.477 6.189 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 1.197 -2.900 -8.159 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 3.399 -3.450 3.417 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 3.696 8.888 10.916 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 -9.126 -1.438 -1.993 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 2.555 -3.624 4.575 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 13.566 -14.939 -22.244 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 11.595 29.465 0.875 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 -0.651 -0.496 -0.380 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 3.970 13.796 1.836 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 -45.329 -11.642 4.683 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 -7.139 -0.673 0.392 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 14.226 4.925 -8.768 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 9.216 12.793 -26.980 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 -4.263 -0.435 -3.992 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 -4.750 -24.713 5.609 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 22.251 -17.977 4.627 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 1.588 -4.786 2.910 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 -15.191 23.958 -2.912 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 -16.965 -25.264 -10.886 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 -0.916 -2.115 4.503 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 0.332 -11.929 -9.438 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 11.593 0.123 9.815 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 1.442 -3.300 -2.213 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 -9.423 11.334 -6.045 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 12.206 -22.373 4.118 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 -0.762 -4.853 -3.747 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 0.256 29.965 6.350 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 5.907 21.782 -2.015 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 -5.379 0.690 -2.815 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 9.081 6.859 -4.138 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 -15.376 -3.574 -2.125 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 2.112 0.808 -6.893 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 16.085 8.279 1.500 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 -6.888 -15.074 13.611 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 -0.546 -5.023 -2.585 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 19.974 -6.277 -8.283 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 4.631 4.074 0.132 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 -5.175 -7.297 -7.468 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 26.383 41.825 17.970 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 6.471 -3.359 -1.759 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 -1.657 1.615 -1.540 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 13.236 13.270 -6.011 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 -5.130 -4.608 2.715 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 1.408 -4.230 -4.972 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 18.645 11.287 -23.604 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 -4.883 -7.073 6.987 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 -1.633 7.256 -13.822 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 7.690 -10.588 8.838 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 -32.720 2.337 -17.365 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 -0.350 2.106 2.770 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 -4.770 3.992 3.063 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 2.970 6.722 3.935 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 -3.003 6.562 2.935 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 -7.646 4.300 0.951 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 -1.893 -17.117 -3.973 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 -3.443 -0.098 -4.306 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 8.876 0.925 14.345 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 8.225 5.001 -9.032 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 -0.933 4.814 -7.307 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 -7.822 21.247 -12.726 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 -1.134 5.512 5.269 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 -2.980 2.356 -5.696 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 15.955 0.939 -5.396 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 -30.350 7.872 -4.748 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 1.771 -5.621 -5.390 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 -10.451 -1.811 -4.409 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 9.301 -9.910 9.940 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 -1.904 -3.581 2.231 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 8.061 -5.570 -3.544 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 13.660 -20.806 -0.192 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 3.692 0.483 -1.746 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 10.196 -11.198 -24.283 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 8.455 -8.344 -22.104 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 -0.200 0.913 -9.743 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 10.834 -2.039 -23.021 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 -4.646 19.003 -16.859 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 -2.148 0.871 -1.723 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 -5.966 -7.853 -0.015 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 21.836 -0.249 12.671 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 0.643 -1.283 -2.520 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 16.035 12.713 -10.088 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 -10.796 -11.070 1.253 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 -3.145 4.650 -2.027 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 -2.161 -2.029 -5.804 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 -1.399 11.627 1.742 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 -2.360 -5.881 -6.661 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 11.154 0.553 6.813 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 0.945 -13.687 2.040 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 -2.595 -4.722 -1.419 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 10.263 3.553 -2.966 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 -2.212 6.610 -12.080 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 -1.281 -6.738 -1.424 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 3.298 -9.494 -8.965 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 13.389 14.329 36.428 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 -1.893 -0.789 -2.122 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 -1.737 2.443 -4.537 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 -3.210 7.650 -2.421 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 -2.049 5.393 -0.174 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 -20.562 17.054 17.856 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 -6.858 6.377 6.087 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 5.967 2.686 -4.600 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 12.157 -3.911 25.601 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 8.629 5.023 -10.133 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 -1.423 1.950 6.422 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 26.103 -8.404 -27.533 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 -29.576 -3.732 17.043 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 -3.843 3.048 -4.157 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 8.087 13.033 15.708 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 -14.224 16.441 4.859 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 -1.104 0.111 -0.870 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 -5.138 -1.983 -3.420 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 -1.410 0.117 -0.764 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 3.479 4.677 4.463 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 22.939 4.215 -10.960 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 -5.102 19.094 1.049 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 -4.742 1.013 -2.389 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 8.169 -5.644 4.656 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 -15.950 -10.116 6.566 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 0.658 -5.750 0.047 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 18.622 -11.465 3.118 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 26.988 -12.646 3.565 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 1.794 -4.126 -1.381 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 1.516 -3.980 -2.759 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 -0.762 -5.521 -12.885 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 -0.481 0.120 3.442 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 -5.032 -12.544 -0.621 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 -7.492 -12.736 -13.159 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 2.322 -0.948 -6.186 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 3.940 -4.341 8.140 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 8.093 -6.854 -7.226 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 -4.138 -0.148 -10.305 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 -4.530 1.544 -11.334 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 -16.383 27.264 -25.809 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 0.338 -2.244 1.939 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 10.163 -12.427 -3.158 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 4.774 -11.843 -0.596 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 3.760 -1.590 -1.616 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 3.469 -12.507 -15.927 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 5.741 9.403 -9.695 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 -0.815 -0.976 3.319 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 7.254 -14.003 23.555 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 0.315 -10.827 -16.015 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 1.649 3.426 -0.721 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 4.539 0.604 -1.826 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 -0.829 -12.721 -19.171 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 -0.038 5.458 0.978 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 -27.256 14.194 -0.724 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 -1.897 -19.931 -12.487 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 -3.826 6.253 -4.336 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 -4.312 0.826 -17.000 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 16.577 0.518 -9.188 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 -0.152 9.109 -1.425 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 -2.004 9.380 -19.025 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 7.899 0.777 -13.886 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 0.597 -3.274 -1.036 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 13.729 -11.547 -6.661 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 -0.432 21.889 -14.656 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 -0.245 -5.067 -0.495 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 8.519 -23.564 -3.695 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 2.137 4.174 -6.461 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 -3.106 -4.520 -2.916 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 7.237 19.770 -12.939 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 1.875 8.479 -9.110 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 -3.023 1.438 -6.520 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 -6.377 1.341 -1.013 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 -13.629 4.835 34.131 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 1.489 7.364 -4.115 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 -3.864 6.254 6.434 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 -20.925 8.664 11.368 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 1.831 1.376 -1.062 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 13.196 -6.421 8.904 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 9.824 -20.714 -20.115 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 4.791 -9.293 -1.751 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 4.949 -10.658 -0.035 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 5.147 -7.285 1.928 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 1.539 -0.463 -3.654 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 -6.854 3.221 -14.196 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 15.650 2.751 -5.260 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 4.429 0.921 2.638 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 -8.237 -0.543 2.349 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 -3.973 0.658 0.087 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 -2.392 -6.694 0.505 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 -16.148 -10.561 1.349 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 0.139 -0.516 -7.670 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 3.448 3.613 0.996 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 -2.215 -1.269 22.808 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 -4.664 17.776 5.584 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 3.793 1.714 -1.424 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 12.358 -9.445 -11.485 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 4.573 -8.460 -17.076 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 -4.821 -0.545 2.334 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 -8.425 17.221 -5.540 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 9.027 4.700 17.717 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 4.343 -3.282 4.163 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 -14.231 -7.538 -0.784 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 -19.542 -3.247 -0.133 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 2.232 0.798 0.042 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 4.731 0.900 -1.457 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 9.025 6.426 -0.126 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 2.358 -4.086 0.999 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 9.646 -16.194 7.539 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 6.770 -9.882 11.171 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 -1.334 -2.740 -5.664 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 -11.204 14.587 -10.929 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 19.166 -0.996 -7.946 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 -5.892 -0.645 1.050 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 -5.723 0.794 0.243 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 3.139 0.166 -8.206 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 1.473 4.207 8.351 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 -29.717 -13.438 -29.615 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 -8.149 -10.569 -15.333 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 4.282 -0.490 -1.713 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 11.736 -1.742 -1.941 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 3.071 0.033 -4.119 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 -4.625 5.566 4.247 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 -15.001 -0.510 -14.858 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 6.695 4.292 -7.077 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 -1.238 -2.585 9.109 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 -22.691 -13.244 11.443 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 22.164 10.437 -3.519 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 0.217 2.889 1.282 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 11.881 15.465 -14.738 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 6.129 -13.140 1.584 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 -0.301 0.765 0.198 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 14.007 -13.260 -2.086 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 6.954 -8.948 6.826 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 -4.685 -0.385 -3.621 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 6.398 -14.794 -23.142 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 24.730 15.975 4.109 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 1.815 -5.560 -3.531 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 5.626 11.669 -13.873 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 -17.840 -5.568 13.010 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 1.545 3.819 -9.002 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 12.607 -30.251 -18.031 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 11.961 3.871 -16.166 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 3.992 -0.454 4.025 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 4.715 -12.833 3.754 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 3.489 11.541 4.013 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 -3.068 -5.648 -7.687 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 -4.709 20.174 3.385 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 17.073 -4.979 -26.831 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 2.096 0.191 -1.065 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 -14.340 -3.936 -19.064 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 3.767 -11.650 1.106 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 5.620 -1.026 -6.292 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 6.220 -1.525 -4.546 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 9.527 0.055 2.917 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 -1.665 -1.162 2.054 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 25.057 -4.523 -6.430 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 8.365 -9.961 19.926 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 7.000 -1.291 -0.117 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 3.683 10.763 11.969 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 6.569 15.743 13.192 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 3.808 3.809 4.351 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 15.947 -3.350 -2.387 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 -4.093 9.175 8.858 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 0.174 -4.442 0.926 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 -4.067 10.130 8.597 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 7.824 2.581 -1.978 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 -5.254 -1.515 4.949 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 -3.874 -4.583 3.806 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 -5.921 -0.763 3.060 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 -1.951 6.114 7.981 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 16.435 10.339 23.821 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 1.080 -29.762 -2.936 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 1.391 -0.925 2.945 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 2.738 5.578 6.822 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 -5.504 -28.586 -7.623 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 -1.765 -0.053 -2.235 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 4.950 -3.351 -1.099 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 -25.488 1.660 19.455 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 -3.781 3.592 -0.190 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 -21.302 12.311 21.547 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 9.523 19.218 15.810 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 -2.534 -3.885 3.634 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 -21.520 -11.558 17.268 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 19.469 8.524 3.849 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 -2.611 -3.682 -0.875 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 -0.757 -7.422 -0.308 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 -23.066 -5.980 13.291 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 -6.721 0.086 -8.415 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 7.770 14.079 8.363 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 8.970 18.227 -1.563 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 -1.876 -0.368 -2.406 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 19.962 0.810 -13.320 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 -14.070 -7.949 -12.457 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 4.577 0.635 4.182 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 -2.454 5.637 -5.134 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 2.045 -7.830 -9.266 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 1.743 1.946 1.444 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 15.868 4.386 6.702 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 -0.346 12.004 6.514 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 -2.896 2.260 -4.908 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 -8.940 3.772 -3.179 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 -5.159 14.625 7.213 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 -1.679 -2.762 -2.433 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 9.044 -17.206 2.071 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 -11.545 -16.384 -7.749 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 -0.520 -6.330 4.332 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 17.654 -43.524 33.005 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 -2.505 -2.949 -0.228 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 -3.386 -7.225 -0.026 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 -1.004 10.210 3.482 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 2.983 -2.401 -3.513 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 -0.747 4.055 2.373 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 -3.719 1.812 -2.978 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 2.707 6.699 7.968 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 -2.637 -0.392 -0.571 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 -11.737 10.579 -2.006 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 6.463 -20.764 0.540 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 3.502 -3.760 0.383 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 -3.050 6.720 -14.030 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 8.572 -18.637 -5.920 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 2.257 4.504 3.969 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 -11.265 -4.193 -6.105 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 -5.308 -6.028 -3.924 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 -9.329 4.946 1.993 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 -9.346 -14.522 -3.237 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 -15.854 4.514 -5.660 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 5.168 2.136 -2.445 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 8.150 -11.600 2.939 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 6.876 -7.280 1.372 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 -2.575 -3.639 8.224 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 -12.040 -6.151 -5.492 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 7.719 -14.415 -11.166 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 -3.121 1.723 -3.162 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 -2.263 -2.520 -6.744 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 -8.002 2.957 -9.511 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 8.638 -4.228 -0.316 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 9.798 -3.062 -2.755 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 9.416 -2.100 -4.182 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 -5.614 5.796 0.989 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 8.562 -7.262 -4.051 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 -20.062 -4.497 11.152 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 -1.862 4.233 -0.906 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 12.341 -21.120 6.264 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 2.333 2.441 10.145 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 6.727 2.237 6.613 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 1.985 -13.107 4.987 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 8.120 20.780 7.335 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 -0.187 1.547 -2.272 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 4.022 -0.221 -0.606 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 -12.627 5.796 -3.347 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 -1.426 -6.396 -0.313 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 7.334 10.253 -7.940 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 -13.594 -4.586 10.681 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 -2.995 2.058 0.042 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 26.447 -33.769 13.170 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 8.731 -4.052 3.743 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 0.686 -6.523 0.799 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 -7.937 -10.495 30.586 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 -4.179 -12.977 17.463 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 -1.013 -3.564 -2.233 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 2.721 -3.846 10.851 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 -1.772 -16.558 -16.680 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 -5.644 7.497 -5.381 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 4.214 9.873 -12.213 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 23.467 6.365 -15.893 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 4.160 -0.023 1.609 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 1.934 -11.310 -6.578 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 -15.271 -1.019 -8.108 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 6.502 -0.928 -0.866 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 9.988 17.726 6.147 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 1.377 -12.439 -4.976 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 10.593 5.306 0.595 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 10.033 2.713 -4.551 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 9.574 7.531 10.402 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 1.592 1.444 -1.941 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 8.212 -16.012 2.441 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 -2.086 15.613 -22.655 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 -7.654 0.812 1.394 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 -9.617 -7.352 4.186 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 -3.116 -17.103 -5.205 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 -2.555 0.782 -0.077 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 -19.449 10.647 4.932 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 13.207 -9.697 -5.942 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 -0.789 -11.414 -0.983 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 2.101 -23.188 -7.306 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 -9.253 8.233 4.737 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 -7.170 -5.163 3.949 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 -6.618 8.688 32.466 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 -6.990 3.233 22.216 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 -5.215 -8.605 -0.922 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 16.598 14.370 -3.738 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 -11.473 4.715 2.517 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 4.520 1.324 -1.761 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 13.078 -2.360 -9.643 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 10.709 -1.193 -6.475 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 1.045 0.015 0.531 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 8.821 -21.185 15.584 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 -1.288 5.651 -3.779 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 -4.990 -0.433 -7.767 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 1.307 -6.832 -23.465 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 4.875 -7.596 5.837 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 3.044 1.302 1.675 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 -0.833 14.665 20.820 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 3.656 1.176 -0.038 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 -2.825 -3.488 -1.373 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 -4.726 -0.997 -24.503 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 8.515 -17.375 20.514 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 2.113 -0.988 3.077 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 -7.699 10.536 9.075 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 -3.812 18.423 -16.124 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 1.125 1.881 -4.361 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 -2.320 3.087 -10.562 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 6.850 -0.892 -4.863 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 6.540 -6.613 3.805 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 0.130 -20.096 4.053 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 12.229 9.376 2.789 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 -1.756 7.113 5.222 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 10.638 -1.023 4.760 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 -7.456 6.679 22.730 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 -0.521 0.102 1.123 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 -16.265 -10.340 25.543 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 -5.030 -3.509 -0.621 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 -6.615 8.550 -2.591 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 -0.846 19.026 1.490 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 -3.153 12.942 -10.484 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 2.224 -0.259 1.472 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 -0.836 21.668 -11.109 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 -13.035 2.730 -12.287 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 -0.775 0.064 7.738 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 31.387 15.057 11.369 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 -20.052 25.122 -10.473 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 -4.201 -2.380 -1.725 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 0.724 7.603 19.568 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 12.652 -18.781 -30.539 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 4.428 1.113 -8.777 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 -5.502 12.716 21.060 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 -1.224 -9.117 21.142 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 3.380 -1.472 -2.382 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 -6.516 -11.060 -41.047 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 -7.663 -31.597 8.733 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 -5.176 7.799 3.425 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 -0.508 15.822 -14.688 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 -8.651 17.781 6.691 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 2.451 -6.465 8.622 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 0.649 -7.380 0.869 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 5.130 -1.897 29.191 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 0.368 4.501 -2.065 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 11.915 11.047 -13.206 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 -5.880 -0.290 4.118 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 3.126 -2.896 -0.767 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 0.426 -13.461 -3.328 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 27.909 -18.398 7.723 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 -7.015 2.846 -1.203 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 -1.178 5.309 18.086 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 -6.480 9.685 -6.826 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 3.547 3.214 2.587 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 38.973 1.584 -16.659 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 3.158 -19.857 7.638 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 4.131 -1.880 3.420 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 -2.266 -3.650 23.360 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 -4.583 1.663 11.806 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 -4.433 4.302 2.837 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 0.642 6.166 0.600 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 7.585 2.756 -1.087 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 -3.492 -6.833 -2.674 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 -18.073 -18.894 -1.076 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 5.455 7.488 2.996 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 1.941 3.724 3.877 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 4.137 -0.356 2.864 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 1.385 2.485 4.392 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 3.485 2.419 -1.776 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 14.701 -11.693 -16.114 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 -14.010 -12.528 2.739 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 2.009 -2.497 2.279 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 15.758 24.262 -9.741 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 0.265 -6.345 -10.517 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 4.225 -2.906 4.481 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 -10.060 2.846 -8.460 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 6.889 1.710 25.385 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 5.191 0.881 -0.687 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 13.537 -11.361 -0.087 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 6.066 -2.316 -7.622 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 1.068 -1.163 -6.801 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 -5.748 -15.964 5.268 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 -1.117 -2.248 14.255 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 0.076 5.199 2.295 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 9.906 18.596 -6.662 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 -4.109 3.182 12.432 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 4.412 0.878 3.466 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 -3.588 -1.792 23.379 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 -8.121 -11.743 -9.728 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 4.411 -0.539 4.769 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 3.493 -4.691 -9.893 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 17.112 8.800 5.960 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 1.541 -3.854 -1.567 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 -1.395 -9.892 -1.854 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 -3.533 0.146 -3.974 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 -4.086 0.662 6.090 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 17.105 -24.658 18.409 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 -0.381 1.830 0.407 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 -2.433 -7.076 4.266 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 -34.266 -22.987 -1.303 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 -13.816 -12.072 5.010 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 -1.013 0.872 5.252 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 -5.121 3.524 -0.043 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 9.785 -4.698 18.448 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 -0.034 -6.662 8.845 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 -21.040 1.433 -36.681 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 -4.399 -5.064 0.085 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 6.899 -3.079 1.043 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 3.355 0.921 4.144 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 2.770 -3.748 -4.667 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 1.542 -2.166 4.958 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 15.958 1.123 24.085 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 -6.049 -11.993 -11.090 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 -2.638 -4.198 1.107 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 5.960 -5.727 -17.447 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 -4.152 -2.366 6.629 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 0.297 5.058 -6.728 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 -2.419 5.050 2.686 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 -1.294 6.463 -20.577 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 -5.940 1.004 2.774 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 1.291 14.158 -21.894 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 9.881 -2.991 -2.717 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 -0.782 1.480 -1.496 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 -21.817 0.733 -6.389 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 -5.740 2.314 20.482 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 3.656 3.648 10.608 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 -1.689 8.719 4.769 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 -14.167 -2.318 10.797 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 1.362 -0.118 3.565 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 -9.960 14.048 3.578 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 -25.429 1.902 10.697 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 0.233 2.529 -0.515 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 37.305 16.248 2.092 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 -10.440 4.403 1.758 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 3.102 0.083 -3.386 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 -0.497 8.398 -1.713 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 4.534 -7.129 -4.758 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 -3.123 -3.786 2.816 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 -1.748 -0.512 1.535 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 -2.577 -6.999 2.384 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 3.012 -1.322 -1.902 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 -2.342 5.809 -10.032 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 -9.314 9.911 7.482 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 5.057 -1.167 3.994 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 13.650 -0.251 -30.214 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 4.763 -1.355 10.899 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 -3.655 -4.775 -7.986 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 1.893 16.497 -5.595 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 -1.565 -3.263 -7.170 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 6.499 -1.611 1.213 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 -10.568 -11.969 -2.247 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 12.463 2.149 -5.856 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 -4.355 2.015 2.323 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 0.106 -6.135 8.944 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 12.921 -24.076 -5.249 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 3.577 -1.649 -3.178 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 5.274 -5.857 -8.192 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 -0.488 8.879 -30.484 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 1.713 -0.640 2.120 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 -9.525 -7.091 11.996 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 11.732 -12.490 -0.910 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 -8.411 2.585 -3.490 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 -10.515 2.498 -3.094 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 -11.601 3.817 -5.991 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 0.406 0.322 -2.546 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 -3.474 -1.560 4.302 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 -1.961 -0.767 0.117 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 3.235 1.061 -0.411 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 -25.209 -22.021 1.903 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 -21.426 -18.387 3.095 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 -5.956 3.947 -3.630 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 3.903 10.882 -20.643 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 1.046 9.854 16.575 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 1.709 2.890 6.509 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 10.731 -8.639 28.017 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 -4.153 -10.551 -17.449 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 0.770 -7.184 4.178 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 1.886 12.790 2.590 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 -9.810 -3.471 17.188 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 -2.989 -4.431 6.775 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 -0.816 9.287 12.034 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 22.929 11.270 25.711 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 3.393 -3.690 -2.504 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 -8.214 -5.922 -3.139 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 17.453 2.295 -1.691 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 -2.432 -1.021 -1.454 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 -5.565 -5.482 1.543 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 -2.426 -2.335 -3.389 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 -0.813 -2.020 -9.485 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 -6.940 13.453 26.530 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 -1.998 2.570 0.289 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 -2.371 -3.570 0.873 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 -5.516 -4.136 -2.705 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 -21.980 8.007 -12.106 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 3.353 0.044 4.027 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 0.956 10.490 25.165 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 2.894 1.323 7.458 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 0.720 -6.758 0.798 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 -0.357 2.828 -14.780 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 -4.091 -19.885 1.389 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 6.388 2.496 -7.339 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 6.281 15.206 17.563 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 6.952 4.895 -3.514 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 0.294 -2.583 4.092 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 0.804 -4.302 1.099 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 0.169 1.760 14.105 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 -2.860 2.997 -0.460 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 -2.777 8.133 -7.948 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 -10.453 -1.889 -2.091 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 -0.928 3.435 0.671 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 2.706 12.727 -4.009 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 -3.131 -0.466 4.174 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 4.229 1.866 -5.856 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 7.588 1.222 17.102 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 1.788 11.857 0.373 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 1.323 -0.588 1.635 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 3.789 -4.351 -4.110 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 5.039 0.396 -1.535 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 5.065 -2.235 0.814 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 4.638 -5.391 -4.645 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 3.110 2.406 -3.386 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 -6.584 0.346 -0.418 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 16.334 -11.487 -9.427 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 12.165 -33.345 -23.332 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 -0.393 2.078 0.194 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 4.513 1.646 3.421 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 -12.711 12.468 -0.067 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 -1.731 0.618 2.236 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 -6.534 -9.396 0.112 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 9.568 -2.463 5.225 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 -5.255 -2.612 -4.213 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 -6.220 -1.855 -4.800 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 1.851 -8.066 -1.516 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 -5.598 2.562 -0.518 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 -2.264 16.528 -6.352 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 0.839 9.710 -5.350 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 -0.239 -3.804 -2.215 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 -11.243 3.826 -2.472 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 -12.747 -3.127 17.732 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 2.564 7.216 -2.983 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 16.781 -14.528 13.645 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 -13.436 14.703 -4.414 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 -4.728 -2.098 0.487 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 8.292 7.379 -8.003 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 -13.012 -7.763 3.728 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 -8.535 -1.713 -8.473 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 -9.162 7.749 -8.677 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 -2.199 -9.731 -9.937 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 3.361 2.999 -4.052 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 5.877 6.341 -3.827 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 3.619 -3.642 -5.308 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 -1.938 -3.504 4.935 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 26.817 19.630 1.701 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 -24.205 -1.935 -5.596 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 -0.820 -0.326 -1.827 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 8.916 -11.080 -4.368 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 -2.364 2.789 -2.071 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 -1.529 4.080 4.343 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 -9.314 -3.988 7.767 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 -2.928 14.521 6.726 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 4.908 5.084 -1.223 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 2.136 17.498 -13.844 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 -8.573 -12.018 16.288 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 0.143 0.713 -3.083 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 17.623 -1.910 0.320 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 -4.923 5.849 10.628 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 -1.606 -1.163 -5.984 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 23.703 -5.531 6.996 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 -4.667 1.115 -3.584 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 5.467 1.895 -2.375 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 -12.177 4.640 -10.897 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 3.574 -0.437 -3.052 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 -2.227 -1.060 -0.549 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 -15.380 -13.312 1.602 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 4.161 7.042 -3.059 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 2.086 -2.360 0.273 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 5.001 1.184 -0.552 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 -15.959 0.510 -5.525 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 3.325 -3.486 -1.975 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 9.843 -4.456 8.152 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 -4.947 -8.684 -1.158 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 -5.697 0.151 -3.582 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 -3.928 -2.917 -4.435 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 28.851 7.306 2.501 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 0.456 6.386 8.683 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 -11.917 5.718 7.602 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 27.798 11.390 -4.545 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 3.180 -1.922 -4.070 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 6.915 7.687 -1.699 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 6.762 3.192 3.633 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 -3.952 -1.592 -1.488 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 -3.621 -7.436 4.314 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 -16.978 -2.856 0.617 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 2.575 -3.159 0.126 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 -6.951 2.782 3.907 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 -22.163 -7.650 16.615 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 0.557 0.583 7.881 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 -0.668 -3.817 15.384 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 -0.679 4.419 -1.690 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 -1.593 7.572 -0.698 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 9.235 -3.993 4.695 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 -4.541 3.013 11.478 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 -6.809 3.485 -3.375 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 -19.606 -2.944 -20.265 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 9.674 10.795 -11.764 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 1.926 3.855 4.551 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 -6.327 -5.390 -14.948 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 -13.731 -9.925 1.412 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 1.037 1.166 -0.783 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 6.433 3.883 -8.124 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 -4.394 22.089 -9.922 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 2.702 -1.968 2.780 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 8.544 4.509 14.924 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 -9.048 5.098 -7.078 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 3.665 3.402 0.447 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 18.855 14.251 15.114 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 -4.848 -8.635 15.466 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 1.196 -0.573 -0.984 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 27.510 4.077 23.548 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 1.311 5.477 -8.652 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 -2.610 -0.349 -10.230 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 -7.096 16.789 -7.834 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 -16.154 10.592 5.749 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 -2.581 6.794 3.515 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 -6.331 11.134 -0.945 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 -5.564 5.671 14.438 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 4.213 6.305 3.051 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 7.638 10.787 -13.991 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 31.915 -8.224 2.843 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 -0.062 1.449 0.903 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 -7.820 -2.913 -12.554 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 3.256 -19.306 6.750 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 -0.580 3.101 2.570 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 -5.272 -23.418 7.701 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 -4.127 15.379 11.127 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 3.566 1.785 -3.662 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 6.938 30.007 21.014 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 -5.901 10.740 -5.259 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 -3.433 5.389 -2.468 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 -12.110 3.266 -22.430 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 -20.038 8.071 -37.968 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 -0.946 -0.630 -6.327 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 -18.321 -2.178 -7.359 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 16.080 -6.607 -26.617 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 1.328 -3.463 -6.776 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 22.671 24.320 -10.693 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 5.950 13.348 -2.281 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 0.736 0.091 0.972 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 -11.684 7.173 8.971 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 4.940 -13.097 3.368 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 -1.818 9.744 -5.118 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 -1.735 -2.454 -5.492 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 10.722 6.449 10.580 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 -2.772 3.288 1.597 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 -6.078 5.681 7.431 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 -3.938 -3.459 2.511 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 -4.605 -0.721 3.200 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 -21.880 -5.489 8.736 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 23.612 6.428 -4.659 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 -1.204 -0.902 -1.360 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 7.706 -4.006 -0.950 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 7.994 -3.048 4.687 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 3.308 2.501 1.687 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 -7.289 -4.801 11.256 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 0.311 -5.735 10.317 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 2.314 -1.338 -3.418 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 14.204 -4.948 -3.000 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 13.170 -0.084 13.684 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 1.533 2.438 -3.350 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 -10.983 12.628 -10.218 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 -17.142 19.823 -10.680 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 -2.472 5.201 1.704 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 -0.256 17.243 5.608 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 -4.057 -9.821 -1.006 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 -2.443 4.884 -2.899 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 7.710 7.261 7.809 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 1.456 -4.567 13.726 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 -6.051 7.202 -4.531 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 -6.983 -19.136 -1.001 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 -22.305 20.234 -2.995 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 -3.823 1.297 -0.690 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 -6.966 -12.664 -8.173 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 14.318 2.508 -1.158 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 -3.736 3.683 3.117 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 -21.714 -4.023 3.963 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 3.685 -2.470 35.208 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 -3.148 12.712 5.375 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 0.566 8.299 5.128 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 12.632 -25.508 12.076 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 -3.325 0.005 3.335 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 -3.018 1.825 -3.261 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 3.436 8.734 -24.384 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 7.788 2.630 1.627 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 -20.066 -6.539 -10.266 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 -15.238 -42.364 -8.521 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 0.426 -2.023 -2.063 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 -3.484 1.136 -0.746 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 2.629 3.686 -9.673 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 -1.486 -0.044 2.022 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 -0.846 -1.349 2.305 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 -0.683 -1.482 2.288 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 3.913 -0.167 1.622 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 21.063 -4.101 4.518 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 1.736 -9.916 -7.738 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 7.160 1.659 -1.497 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 -2.563 2.858 -9.049 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 14.291 12.475 19.594 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 0.038 -1.338 4.416 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 -2.787 0.266 9.940 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 -3.908 0.977 14.313 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 -2.771 1.874 6.266 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 16.897 -0.283 7.666 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 4.519 -20.425 0.154 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 -3.620 0.958 2.706 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 -6.488 -11.658 0.381 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 -2.139 8.989 -10.456 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 2.371 5.721 -3.104 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 20.153 16.307 3.414 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 31.065 2.442 1.384 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 3.030 -4.218 -0.117 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 20.180 14.416 11.057 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 16.957 14.015 1.561 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 0.306 3.239 2.730 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 -3.082 2.485 30.828 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 -16.031 -1.875 -15.588 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 3.102 1.361 -0.725 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 4.248 -12.595 -14.329 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 -5.529 9.518 15.482 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 -2.237 -1.114 -1.119 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 2.271 -0.262 -11.678 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 -0.991 4.951 -6.046 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 -0.589 -0.289 2.173 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 7.362 17.698 14.253 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 -19.534 -3.203 -3.979 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 -2.619 0.670 -2.169 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 11.027 -9.394 -11.472 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 12.557 -10.345 -9.792 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 -4.713 -6.236 -0.400 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 -0.514 8.168 -4.345 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 5.271 1.088 15.723 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 -2.909 2.912 -4.411 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 -7.480 19.714 0.581 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 8.907 -2.630 7.610 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 1.781 -0.290 -2.041 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 13.150 24.542 -6.160 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 -1.442 -3.724 -2.304 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 -0.741 -0.943 2.849 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 0.480 -3.947 -19.189 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 -1.438 -0.351 20.598 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 6.347 -6.569 -0.976 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 21.001 -4.558 -1.005 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 0.174 7.615 0.716 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 -3.057 2.333 3.902 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 -0.274 -0.698 -1.477 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 -11.145 8.086 20.394 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 -3.549 -1.899 -0.384 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 25.670 9.252 -14.629 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 30.726 -14.740 34.002 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 2.398 -7.534 -0.333 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 -5.268 -4.292 -8.035 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 -5.852 -14.219 4.640 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 0.983 -2.277 -6.708 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 -18.642 -4.657 -8.511 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 24.632 29.143 0.644 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 -0.766 -3.267 -7.264 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 11.130 10.162 -20.199 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 -2.241 -2.853 -5.145 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 -3.798 -4.546 -4.813 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 -12.079 24.071 -10.484 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 10.499 -13.216 7.887 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 2.156 -6.074 1.884 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 -26.338 -20.721 -5.229 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 -23.019 19.756 -22.402 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 -2.892 -5.285 -3.017 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 -7.219 -2.263 -4.149 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 8.269 -4.514 12.897 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 3.512 -4.830 1.965 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 -8.179 -0.014 11.371 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 12.687 -15.706 5.057 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 -1.141 0.657 -0.124 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 -1.538 -3.692 8.109 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 -3.308 -3.914 7.759 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 3.652 -0.230 -1.412 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 0.876 15.268 -7.786 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 -0.894 0.290 -8.726 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 1.747 1.776 -3.957 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 -2.340 -1.307 -1.023 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 2.507 -9.902 -24.976 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 5.994 0.501 -2.947 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 -4.061 7.891 -17.173 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 -27.291 -2.300 -27.085 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 -7.871 -0.233 -0.253 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 5.056 -8.504 11.445 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 2.152 -4.729 7.450 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 -6.635 1.533 3.917 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 -3.516 10.903 -14.194 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 -10.960 -5.486 28.042 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 0.480 -1.191 2.079 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 35.938 18.158 -15.219 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 6.291 -7.773 -10.921 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 5.197 4.179 5.257 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 -13.731 25.574 21.732 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 -16.397 27.563 17.102 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 4.101 -2.806 -3.898 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 -7.238 -13.681 3.060 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 6.849 -6.251 5.840 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 -0.566 1.028 1.329 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 -2.140 10.336 6.181 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 -0.128 -3.225 3.710 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 4.727 1.878 5.056 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 4.210 23.269 21.519 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 7.049 31.121 -17.085 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 -0.198 1.313 3.067 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 0.521 10.541 20.005 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 -7.173 6.240 -7.735 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 1.158 -5.549 -0.983 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 25.692 -13.438 5.774 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 9.354 3.284 3.910 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 -1.843 3.694 -1.596 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 10.167 2.695 10.548 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 -13.060 4.029 -12.031 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 3.437 0.180 -6.465 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 13.398 -7.467 3.326 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 9.055 18.419 6.622 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 3.163 -4.686 -2.655 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 5.195 -13.016 -10.884 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 12.247 2.379 -24.822 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 -4.132 2.111 -4.455 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 7.920 -5.639 17.503 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 17.044 -15.075 45.092 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 3.493 -4.027 0.270 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 0.851 3.739 -0.364 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 3.332 0.215 5.429 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 6.032 -1.970 1.800 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 -10.967 -8.924 12.002 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 5.687 18.758 -7.845 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 1.578 -1.949 0.314 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 1.859 -6.697 0.879 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 1.229 2.183 0.738 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 -0.667 6.065 5.820 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 -5.123 -20.408 11.406 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 -5.099 13.398 -3.591 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 2.016 -6.425 -5.003 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 2.220 -8.903 -3.501 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 4.700 -4.883 -3.585 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 5.489 -4.961 -4.268 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 28.863 -5.486 0.487 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 -4.573 -13.823 5.558 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 4.997 4.644 0.079 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 -5.758 12.616 -2.321 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 52.857 -1.576 28.859 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 -1.230 -5.400 -2.630 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 -13.903 15.039 8.048 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 19.758 4.741 5.809 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 1.828 -1.868 3.787 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 4.728 0.960 4.270 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 4.895 -10.467 5.307 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 -3.455 -6.159 -2.686 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 -0.136 -2.153 3.659 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 1.413 -11.658 -4.868 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 0.053 3.039 -9.587 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 8.045 4.807 -12.586 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 -15.702 3.770 -7.166 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 0.653 -0.801 -1.999 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 4.650 -1.463 -11.076 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 8.852 -1.461 -13.671 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 3.280 -7.510 -5.517 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 -9.089 -14.478 4.454 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 -1.427 -10.074 -2.519 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 1.264 -0.280 -0.774 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 -5.969 12.283 18.379 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 6.668 -9.863 -12.741 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 4.571 -3.244 4.262 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 -4.210 -3.050 5.499 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 5.917 -2.827 1.844 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 -0.297 -1.439 0.118 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 -6.144 -32.451 1.797 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 -4.410 37.620 3.249 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 1.649 -4.935 2.094 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 25.099 2.221 8.922 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 -5.824 -10.987 -18.516 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 3.625 -0.956 -0.518 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 -5.175 9.347 -8.724 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 -0.327 5.617 22.578 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 4.418 -0.402 7.124 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 -6.544 -32.086 -1.940 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 -17.611 31.491 15.118 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 -0.271 0.173 0.011 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 -1.465 2.288 -1.206 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 -11.893 14.391 -15.187 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 1.748 4.863 -0.675 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 2.641 -6.214 -2.807 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 -6.518 13.573 -8.936 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 -4.241 -1.109 -0.277 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 -17.182 16.395 4.100 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 -15.585 -19.387 1.586 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 2.306 -4.848 4.039 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 7.316 -16.513 3.439 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 -6.717 14.317 1.595 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 6.377 0.425 1.163 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 1.713 12.248 14.611 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 10.974 0.759 -10.536 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 4.948 -4.979 -6.543 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 4.426 -5.495 -8.643 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 3.426 -5.805 -18.904 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 8.884 3.742 0.459 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 15.202 -8.070 10.784 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 19.106 13.580 6.321 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 7.084 1.897 -0.167 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 2.774 6.437 -3.044 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 13.982 -6.002 4.275 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 -4.573 -1.447 8.274 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 -21.119 15.036 7.675 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 -4.687 2.629 9.104 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 4.124 0.004 0.615 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 -9.432 -7.951 -4.385 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 -15.851 -3.602 -4.140 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 5.217 1.363 2.720 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 7.896 8.903 -10.439 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 -13.908 4.985 -9.070 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 3.088 -0.502 -0.494 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 10.084 5.436 14.985 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 -2.281 -20.367 -10.015 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 0.207 0.962 -2.017 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 -16.946 3.033 -28.087 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 30.624 15.674 35.854 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 -2.936 -3.005 2.821 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 -4.652 5.519 -10.833 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 -15.145 -18.653 -6.876 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 -2.851 -3.173 -5.390 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 12.349 -20.193 -10.646 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 -18.429 19.743 8.753 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 -0.790 1.184 -5.236 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 10.273 -6.752 2.051 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 -3.293 14.542 6.221 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 -1.071 6.358 -5.209 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 -9.000 -1.348 0.727 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 20.089 35.811 -4.078 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 6.029 4.756 -1.291 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 -8.000 23.407 -2.194 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 8.109 9.912 -16.410 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 6.190 -0.230 1.428 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 -22.095 -4.392 -19.470 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 17.626 10.490 1.243 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 3.421 2.670 6.159 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 -2.866 8.462 5.640 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 1.350 -3.104 8.800 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 4.137 -7.340 1.303 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 9.811 9.612 6.739 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 15.844 -1.402 8.923 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 -6.334 6.705 6.066 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 5.508 0.020 10.622 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 -16.625 12.047 10.353 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 -4.669 0.338 -5.094 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 31.327 -14.580 -5.592 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 -14.718 1.399 -9.933 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 0.074 -3.628 3.506 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 5.761 -3.103 20.120 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 -8.656 -3.199 2.925 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 -0.064 10.289 1.670 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 -23.566 25.645 -3.955 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 3.170 12.915 29.680 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 1.154 0.110 1.527 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 -16.829 -6.668 -16.047 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 -7.332 8.101 3.126 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 -8.935 2.805 -9.686 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 -1.697 -3.992 -1.941 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 -1.855 3.637 -8.421 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 -1.175 -6.334 -6.680 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 3.540 -8.467 3.426 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 6.436 -19.385 -10.152 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 -3.886 0.705 -2.747 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 4.874 -14.025 13.174 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 -20.812 -11.112 17.221 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 -5.297 2.451 1.811 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 -5.226 -6.085 19.336 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 -3.830 11.624 0.557 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 0.399 10.546 -0.714 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 -5.089 -8.759 -10.567 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 4.281 -11.321 -9.379 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 -1.059 -1.083 0.683 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 -8.387 -2.134 -1.963 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 -12.678 -0.339 -2.101 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 4.441 -0.407 1.968 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 10.796 2.987 0.927 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 8.403 -7.445 -4.427 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 2.959 -0.218 4.915 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 -10.763 -13.644 -6.146 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 -0.005 -0.152 6.686 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 -1.702 1.442 -0.573 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 1.569 22.492 6.063 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 -9.926 3.938 17.778 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 -1.952 -1.012 3.415 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 2.682 0.282 3.129 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 2.069 0.935 17.319 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 -0.115 1.707 -2.555 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 -0.411 -4.300 -4.156 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 0.293 4.512 -1.604 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 -4.324 0.925 6.525 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 -21.243 -6.569 -12.099 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 -10.176 -16.904 16.076 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 -6.826 4.006 -0.152 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 -3.874 -3.048 3.871 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 -1.104 5.043 -4.147 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 -2.408 -2.864 -0.571 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 -6.124 10.818 -14.793 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 15.364 0.350 5.305 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 5.696 5.657 3.909 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 12.952 -5.220 -5.086 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 17.896 26.203 -5.505 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 3.582 -1.845 -2.187 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 5.555 -8.984 -1.549 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 0.656 3.796 10.690 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 -3.370 4.014 1.000 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 -14.480 0.746 -13.164 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 9.113 17.328 -5.847 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 0.101 3.222 0.692 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 5.817 -8.192 2.592 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 -27.955 -11.855 0.408 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 10.681 -6.683 0.272 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 9.153 0.940 -5.138 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 5.099 6.713 -23.752 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 1.680 -3.919 -0.333 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 1.664 -10.439 -8.089 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 4.365 -14.007 -7.932 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 -2.127 -1.510 5.954 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 -3.375 3.563 1.434 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 -3.156 0.802 5.815 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 -5.124 0.177 3.044 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 -16.055 0.621 -3.355 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 -9.781 -3.410 -8.822 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 3.116 4.087 -5.771 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 33.586 11.836 9.987 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 5.264 2.953 -5.841 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 -7.033 8.248 1.951 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 -19.664 12.780 8.608 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 12.127 -2.718 -9.245 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 -5.912 4.230 -1.226 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 -14.059 -5.622 26.092 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 -2.842 1.943 -3.188 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 3.023 -6.488 0.126 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 1.678 -4.911 12.678 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 0.965 -7.169 9.048 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 1.243 -7.542 -0.537 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 -3.017 1.272 10.251 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 -19.424 -22.390 -6.828 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 0.406 4.235 1.719 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 8.563 3.218 -20.378 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 7.435 12.101 -3.920 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 -1.274 -0.624 5.204 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 4.444 -1.839 6.730 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 -3.641 -0.298 6.496 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 1.196 -3.087 -1.980 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 -2.953 -0.243 -0.233 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 13.916 -11.448 14.745 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 2.830 -0.179 -7.966 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 -8.911 10.899 -2.682 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 2.851 0.168 -20.068 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 -4.138 2.154 8.328 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 -7.585 18.413 4.877 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 2.456 7.229 2.951 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 4.614 2.492 3.845 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 9.677 0.572 17.537 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 -5.898 6.220 -6.949 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 -2.217 3.822 0.974 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 -20.587 5.385 8.305 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 -4.962 -0.148 0.673 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 -0.365 -3.339 -3.958 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 22.295 2.128 -13.541 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 14.788 0.536 -19.371 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 0.050 4.692 -0.681 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 -12.467 7.467 -11.979 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 -7.535 7.282 17.946 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 -1.096 -0.913 2.784 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 -2.972 -2.013 2.202 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 -21.525 -1.510 -0.719 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 1.589 1.796 1.882 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 2.672 3.426 -0.347 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 -0.606 -0.681 9.229 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 0.172 3.215 2.954 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 -5.686 8.538 -3.541 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 -13.390 20.270 -13.569 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 -0.085 -0.968 2.985 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 0.817 -1.832 4.925 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 -10.726 -16.735 -7.571 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 0.256 -8.864 -2.637 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 3.058 -0.847 2.383 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 2.709 -1.045 1.809 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 -5.189 -2.471 -1.561 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 -3.571 -8.689 -0.094 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 8.872 13.787 -3.177 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 0.230 -1.935 -1.601 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 21.622 -12.453 8.584 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 -3.947 19.477 12.993 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 -0.280 -3.469 10.830 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 2.313 -17.705 5.125 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 9.902 -9.149 -2.359 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 -2.438 -1.048 -0.478 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 4.278 5.737 34.243 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 10.324 4.656 8.017 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 0.432 0.948 -0.907 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 -4.898 -25.993 -38.317 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 -2.011 -4.247 -13.601 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 5.835 -4.155 -2.918 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 5.234 13.859 5.478 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 -15.387 -24.657 -15.646 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 -4.400 -1.351 0.158 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 8.432 -5.755 11.630 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 8.886 -1.048 -6.281 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 0.318 -0.183 -0.696 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 -5.483 -10.527 -14.264 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 -11.484 26.341 16.165 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 0.566 1.934 -1.641 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 1.519 -6.954 13.081 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 -5.015 -8.577 18.425 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 -3.552 -2.365 -2.265 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 -15.355 8.276 32.726 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 11.616 -10.138 -0.299 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 -4.056 -6.949 -0.472 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 -22.165 8.798 10.737 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 1.611 14.475 -5.234 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 0.925 1.447 -0.139 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 -35.477 -5.817 29.008 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 22.433 -23.968 -16.166 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 -0.916 -3.525 -4.364 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 21.749 7.608 -3.179 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 -25.064 -1.021 14.497 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 2.951 1.651 -0.464 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 12.232 8.837 -1.281 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 18.063 -11.726 15.498 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 -1.911 2.836 -2.324 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 9.659 -1.302 8.755 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 9.853 -2.339 39.766 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 1.619 6.756 1.085 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 -2.094 19.219 5.180 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 -0.943 17.893 5.188 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 -3.988 -2.788 -5.166 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 -6.292 -22.982 15.503 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 -2.871 -0.739 -6.659 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 3.421 3.930 1.972 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 -5.198 -2.624 -5.033 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 0.653 9.126 0.665 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 -2.926 -1.895 0.778 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 -2.309 -8.371 0.420 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 4.062 13.459 20.978 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 4.326 2.474 4.072 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 28.762 5.924 23.452 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 15.112 -3.460 -3.173 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 0.133 -6.020 1.394 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 -0.309 -2.985 4.479 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 0.502 -7.916 5.902 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 -5.149 -4.149 0.877 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 -6.829 -11.297 2.129 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 2.239 -0.964 6.475 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 -4.124 -7.502 2.868 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 -7.603 -7.053 -1.559 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 1.842 -13.797 -10.489 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 -2.491 -0.626 -4.208 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 -8.011 -6.694 -1.680 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 -2.175 -6.473 3.504 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 -4.281 -4.012 -2.668 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 13.550 -11.739 38.878 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 4.417 -22.718 10.742 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 -2.921 4.093 -3.707 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 -26.595 7.612 -23.535 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 -1.335 30.906 5.122 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 1.327 6.651 -1.195 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 -4.392 5.396 -18.516 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 0.248 12.806 28.143 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 -0.188 1.165 -3.374 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 6.603 6.457 -17.276 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 11.162 15.342 -24.291 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 2.549 -4.057 0.165 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 10.797 -29.890 -5.357 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 -1.813 8.485 -5.851 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 8.382 0.514 -7.127 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 10.126 -1.585 -7.068 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 10.446 1.631 -8.449 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 3.432 0.198 -2.616 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 4.745 26.606 11.409 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 -5.593 -28.900 -13.523 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 5.336 0.691 3.276 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 12.799 -17.974 32.319 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 -4.152 -26.767 -10.877 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 -3.630 -5.599 5.118 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 -10.239 -4.800 -35.274 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 0.408 -5.486 7.611 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 2.857 6.812 -3.926 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 6.373 4.379 -23.383 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 -9.873 10.416 9.339 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 0.130 -2.800 -1.003 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 5.584 -20.495 -1.177 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 -8.056 7.193 4.337 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 -3.150 3.671 1.491 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 -0.803 6.264 7.368 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 -18.974 0.163 -14.411 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 5.025 -3.438 6.173 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 -9.441 -24.238 -4.803 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 -15.419 6.208 21.907 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 0.982 3.055 -1.119 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 13.785 15.919 14.375 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 5.882 6.899 1.710 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 -5.960 -7.182 -1.129 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 1.185 -12.608 23.772 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 -10.368 2.369 -14.233 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 1.878 -2.676 9.030 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 -14.510 -0.556 2.429 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 6.032 13.638 16.652 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 0.522 -2.657 -2.081 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 9.568 10.602 30.670 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 -15.828 -11.013 0.096 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 2.866 -0.112 3.867 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 8.585 -19.038 9.293 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 -16.075 14.412 12.642 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 -3.538 0.094 -4.202 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 -14.327 2.577 -1.472 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 -8.001 1.720 -2.060 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 -6.131 2.037 1.089 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 -38.018 -5.441 -1.837 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 13.036 8.230 10.307 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 -9.107 -1.044 -0.209 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 -15.350 8.205 -2.539 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 -16.661 1.249 -7.243 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 6.136 -3.308 5.085 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 -11.514 -5.310 2.944 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 12.612 6.935 15.608 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 -2.157 0.871 1.433 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 8.674 14.477 6.299 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 6.281 -11.847 -6.189 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 0.071 -0.587 6.657 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 1.841 -12.081 3.322 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 5.256 -7.411 14.102 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 -4.602 5.233 1.199 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 -7.494 -10.509 12.999 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 -6.939 12.444 -3.886 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 -2.595 2.467 -0.681 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 6.545 -6.641 -7.849 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 -2.389 2.226 0.390 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 -0.616 4.302 -3.517 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 -13.236 -15.392 1.131 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 2.862 8.285 -3.000 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 0.567 -2.723 6.540 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 -1.515 19.203 21.560 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 0.311 -1.177 7.142 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 -2.074 -5.696 1.627 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 -24.244 -4.646 1.140 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 6.819 -16.792 5.411 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 -0.132 -0.546 -5.011 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 -7.679 -12.258 16.626 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 -6.834 2.773 -0.452 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 -2.041 -5.308 -3.349 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 7.465 -4.730 -1.601 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 -5.852 -1.505 -11.943 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 -3.788 3.319 -1.013 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 -3.345 1.435 -0.222 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 7.648 28.148 -14.505 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 -0.066 -1.407 -1.238 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 -2.565 2.303 -2.157 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 2.892 -6.221 0.179 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 3.858 4.425 0.714 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 16.872 5.122 -2.283 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 -1.626 -4.563 -2.760 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 -1.582 7.944 5.747 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 15.827 36.078 -0.958 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 6.150 6.969 -8.454 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 -4.799 -0.118 1.513 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 11.849 13.379 -4.759 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 17.275 17.099 -6.500 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 1.704 -0.915 0.076 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 -3.037 10.798 -0.420 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 2.410 -4.786 9.654 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 5.399 2.379 3.651 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 2.274 7.027 6.144 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 3.145 6.737 -2.735 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 0.403 1.514 -7.071 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 3.056 -1.798 -8.044 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 0.653 5.067 -10.168 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 -5.764 0.957 6.564 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 -3.197 -27.626 -4.349 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 9.922 10.877 3.760 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 -8.605 5.042 6.020 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 -2.147 -1.342 2.320 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 -20.108 9.602 -2.052 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 -4.454 -3.149 1.649 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 -9.290 -1.902 6.502 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 -3.914 2.184 2.519 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 1.620 8.059 -5.019 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 10.203 28.083 -5.830 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 3.306 9.934 1.490 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 0.367 4.514 2.631 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 20.531 19.968 12.244 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 12.717 3.289 -9.761 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 6.767 -2.172 -2.464 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 -5.375 1.292 -2.614 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 -18.217 30.469 1.369 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 -2.024 2.689 -8.318 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 -8.797 -7.439 -3.482 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 6.787 9.741 -4.520 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 1.617 -5.128 -0.900 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 8.548 -2.707 -7.672 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 -0.112 -21.211 16.645 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 1.639 -5.098 2.910 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 1.850 6.968 -6.763 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 8.741 -0.176 20.644 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 -4.631 -3.120 1.530 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 15.620 12.876 7.564 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 -25.666 13.966 18.091 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 9.737 -1.597 0.910 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 -7.989 -2.332 -5.920 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 9.489 -16.435 9.056 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 2.272 -0.793 -5.589 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 -6.810 6.157 -30.761 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 18.214 0.320 -15.625 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 -4.785 -6.575 -1.422 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 14.420 12.429 -25.790 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 -5.388 11.861 16.465 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 3.690 -0.144 -5.951 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 17.495 -14.077 -14.387 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 -11.056 -9.763 -5.067 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 3.834 -5.074 -0.371 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 -30.756 -19.030 3.038 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 -6.712 -19.235 -24.252 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 -0.471 4.867 -0.035 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 -4.485 6.438 -4.220 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 21.882 3.187 -1.532 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 0.491 -0.048 -1.315 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 20.767 8.696 -5.047 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 1.654 1.706 -7.598 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 -0.209 1.039 -2.096 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 6.493 7.691 15.014 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 25.251 -14.551 -29.223 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 -4.795 -3.863 0.622 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 12.628 -2.425 -9.819 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 -0.685 -24.248 12.515 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 3.717 2.795 4.110 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 -1.489 2.903 -0.924 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 1.297 0.107 8.390 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 -4.800 -4.198 -3.797 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 -14.000 -1.802 0.201 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 -19.589 6.756 4.689 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 -0.664 -2.459 -3.148 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 -0.326 2.541 -15.356 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 -1.106 5.441 -22.669 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 -2.666 -10.452 2.515 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 17.394 19.159 -12.183 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 23.388 -3.628 -4.494 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 0.545 -0.757 -2.864 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 13.349 6.243 -3.391 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 21.963 -12.647 4.955 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 -1.467 2.687 1.809 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 -4.077 24.915 2.838 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 -9.369 -11.094 1.592 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 -1.898 1.071 3.073 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 2.045 6.701 -13.030 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 -4.216 -4.270 13.039 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 4.314 4.512 -1.868 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 15.030 -9.992 -2.724 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 10.525 -20.169 -6.809 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 4.007 -0.206 1.816 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 6.463 -13.175 16.207 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 3.789 4.130 4.233 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 -1.433 4.655 0.033 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 15.148 -9.400 27.219 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 4.466 0.204 8.646 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 -3.329 -3.416 -1.927 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 -3.938 -0.717 2.219 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 -6.177 6.236 13.158 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 2.075 -0.003 -2.386 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 19.021 0.575 23.124 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 -17.475 24.893 5.413 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 0.006 -1.176 -0.232 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 -10.750 5.025 8.760 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 -12.154 25.567 1.605 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 1.965 3.101 -1.096 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 -2.786 -0.072 -9.746 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 -6.405 5.365 -2.069 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 9.567 -3.024 -0.180 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 -25.979 3.686 -2.526 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 -6.567 -5.586 -11.588 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 1.552 -0.175 3.025 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 1.664 -10.958 -7.054 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 3.944 1.935 4.636 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 5.072 -1.237 -2.585 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 2.968 -7.293 0.029 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 11.049 -1.895 -5.189 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 -2.056 3.618 1.471 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 -17.141 8.834 17.059 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 1.453 1.246 -4.886 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 1.116 5.060 -6.586 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 -11.070 9.963 -4.698 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 8.311 26.675 6.128 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 2.636 7.123 3.961 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 0.831 6.941 2.172 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 3.096 5.779 5.142 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 1.703 3.955 6.273 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 28.521 -2.195 11.876 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 -8.290 21.123 -20.319 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 0.254 -5.404 1.803 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 -0.094 -3.625 2.669 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 21.727 -9.832 -13.957 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 -1.564 -2.128 -1.227 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 -2.561 2.834 20.120 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 -4.902 -13.457 13.898 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 1.489 2.740 7.659 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 8.346 -6.477 0.791 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 8.509 -4.385 1.703 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 4.411 -1.622 -2.510 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 10.200 1.867 19.399 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 11.084 -10.863 22.363 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 -4.066 -1.057 2.797 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 -8.777 -8.814 1.895 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 -8.467 -3.418 3.966 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 5.876 0.408 0.381 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 1.167 -1.254 -1.036 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 8.227 3.506 20.083 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 -2.017 -0.571 5.885 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 8.479 8.133 -8.753 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 -2.237 4.826 30.531 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 -7.151 1.954 -2.143 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 -2.402 21.836 6.345 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 -33.377 4.967 -35.238 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 -1.591 2.351 1.673 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 0.097 24.006 7.111 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 5.471 4.715 4.653 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 0.977 -5.630 5.066 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 -8.924 -10.824 -21.415 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 11.152 -7.430 14.747 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 5.271 -0.041 -0.532 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 -3.941 -8.261 -8.270 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 18.637 -12.228 2.646 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 3.520 0.435 2.965 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 -12.358 3.057 14.296 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 14.464 3.292 3.918 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 5.522 1.234 2.667 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 -4.541 8.802 -6.173 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 -0.591 4.604 14.343 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 0.251 0.385 -2.124 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 -3.126 -8.780 -1.787 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 5.602 12.691 -2.580 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 3.483 4.218 5.647 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 3.947 3.158 2.147 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 8.450 -6.732 12.030 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 -2.506 0.506 -0.146 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 15.094 8.042 -6.269 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 9.365 -11.442 1.845 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 -5.012 2.773 -1.606 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 5.135 2.881 12.756 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 -6.703 0.492 -3.773 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 -2.116 -3.357 -6.869 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 0.911 14.869 13.685 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 16.562 1.547 2.930 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 3.817 2.416 4.434 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 -6.585 8.994 -13.750 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 0.006 8.919 11.834 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 1.197 2.840 -6.956 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 -16.455 14.458 -11.104 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 9.450 0.872 -3.060 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 0.441 -3.640 3.522 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 -3.615 -3.452 3.813 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 -3.964 -3.234 4.353 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 -4.745 4.122 5.932 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 12.312 -6.733 8.009 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 -1.366 -1.681 3.232 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 -3.241 -1.441 1.606 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 -2.148 -2.860 19.916 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 6.708 -3.614 -11.566 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 -4.948 -5.926 -5.562 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 -3.880 -8.188 7.043 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 -4.232 -6.338 -3.021 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 2.622 2.978 4.831 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 -10.437 15.090 -12.376 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 0.174 -4.337 1.607 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 -9.097 0.773 -5.004 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 16.299 21.394 12.003 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 -19.063 2.475 -15.703 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 -4.778 2.455 -2.283 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 10.352 5.522 -16.102 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 -11.409 -7.342 15.683 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 1.632 -7.706 4.662 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 13.710 23.318 2.332 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 20.985 -10.729 4.663 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 -3.524 0.026 3.032 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 -21.630 -6.377 0.775 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 13.252 5.413 13.122 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 -0.340 -2.129 -1.306 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 -5.653 -5.906 2.758 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 5.255 -12.676 -6.075 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 -4.825 4.469 -0.250 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 -18.511 1.641 -14.393 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 -15.195 8.536 14.090 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 2.968 -0.365 -0.093 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 1.877 -1.164 -0.559 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 -8.690 -8.789 -4.583 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 -0.789 -1.236 -3.054 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 -3.851 16.484 -24.806 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 3.218 -1.111 7.220 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 1.442 1.388 0.646 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 -0.242 5.496 -3.746 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 -0.664 7.696 -6.172 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 0.001 3.938 4.591 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 -20.526 -16.781 6.075 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 0.721 21.860 -14.194 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 1.422 -0.375 -0.765 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 -14.280 -15.034 14.118 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 19.232 4.106 0.340 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 -5.528 -5.508 -1.995 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 0.832 -5.495 -1.576 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 -2.794 -5.251 -2.542 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 9.446 -2.534 2.869 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 9.252 -10.380 8.079 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 11.369 4.468 7.920 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 -2.653 2.825 0.494 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 -2.783 1.607 -1.478 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 -0.404 9.926 -18.739 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 7.344 0.020 2.218 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 4.821 -6.365 5.784 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 -4.864 10.027 4.493 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 -3.885 1.559 4.184 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 -10.417 -21.867 -8.293 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 15.620 0.893 7.890 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 -2.745 4.214 2.066 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 12.635 -8.128 -1.701 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 -14.846 12.711 -11.277 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 -3.223 3.635 6.747 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 -51.041 9.937 0.959 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 -6.383 16.400 -13.810 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 -3.946 -0.150 -5.573 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 4.958 2.081 -15.678 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 -17.310 -1.342 -5.088 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 -2.890 -4.766 -0.343 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 -14.468 2.025 7.825 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 -7.201 -3.421 -18.264 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 -1.460 -4.118 -0.131 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 12.706 -8.820 4.158 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 -0.806 -3.293 -0.835 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 -2.073 3.153 0.016 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 -0.718 3.381 8.697 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 -0.152 9.843 20.434 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 3.928 -1.628 -0.777 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 -17.727 10.964 -15.985 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 -12.011 -14.175 -16.705 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 -1.760 5.093 -3.871 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 3.290 12.398 1.340 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 6.461 -0.440 2.401 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 -4.278 -1.134 1.820 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 -4.426 -1.140 1.014 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 -6.143 7.039 14.193 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 1.945 0.626 -4.324 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 9.667 12.422 16.507 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 2.319 14.667 -13.382 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 3.887 -3.203 4.920 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 9.137 0.433 8.416 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 6.085 -16.860 11.986 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 8.902 -3.435 4.081 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 5.981 -2.643 4.979 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 26.415 -7.334 1.618 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 -3.385 7.411 -1.921 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 -0.832 -17.513 -17.509 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 -10.642 14.483 5.488 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 1.970 -4.625 5.170 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 7.298 15.783 -3.651 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 11.334 -0.476 -13.291 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 -4.171 4.049 0.600 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 17.346 -5.619 -19.292 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 24.106 3.667 6.537 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 2.016 -0.206 2.059 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 0.449 -27.727 -19.379 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 -10.344 -2.163 -17.571 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 2.361 3.625 -1.233 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 3.064 16.528 -5.469 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 -0.081 -11.144 -5.672 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 -2.736 5.429 4.012 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 0.343 7.352 -1.128 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 -1.369 -2.078 -1.371 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 -4.134 -1.722 5.012 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 -7.041 1.780 18.101 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 -4.111 1.352 -1.730 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 4.234 -11.244 -5.648 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 -4.064 10.157 -10.733 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 2.878 -9.440 -4.131 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 1.421 1.702 2.360 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 10.508 -5.494 -2.238 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 -0.395 10.644 -11.379 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 -8.515 2.457 1.461 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 -0.320 -9.392 2.479 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 7.097 -10.785 -0.778 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 1.577 -3.364 -2.936 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 -23.355 4.598 -7.020 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 -2.260 -18.634 18.145 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 -0.330 1.280 1.145 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 -15.567 1.004 -24.285 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 -2.040 -13.387 12.168 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 3.037 1.336 -1.479 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 14.620 13.278 -7.084 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 4.386 -6.421 -6.914 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 8.781 4.926 -3.743 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 44.960 7.767 -11.421 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 -24.030 -0.025 3.790 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 -0.882 1.818 -1.714 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 -20.948 -19.956 9.528 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 -8.009 -5.356 1.151 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 -5.107 -3.807 2.469 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 -1.610 -29.694 7.305 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 -13.513 -15.912 2.537 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 -4.591 -4.119 0.603 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 -0.021 1.992 9.379 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 -5.896 13.385 19.802 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 0.445 -0.411 2.490 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 -1.021 0.583 14.219 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 2.334 8.452 6.189 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 -1.745 0.778 2.045 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 3.077 -19.741 9.663 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 3.528 -16.109 12.498 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 2.226 -0.904 2.970 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 11.185 2.657 -7.435 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 43.992 -2.110 10.957 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 -3.175 -5.323 -6.356 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 -16.021 -3.928 -0.472 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 27.536 1.224 30.036 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 0.205 1.234 -2.854 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 -8.994 -5.751 3.359 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 -12.401 -2.833 9.550 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 -1.606 1.624 -0.964 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 -7.303 -2.139 -7.655 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 -3.329 10.047 2.352 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 0.665 11.974 -1.284 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 -21.755 20.311 2.074 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 23.111 -8.296 10.870 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 4.318 5.095 -0.002 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 -3.204 13.378 3.052 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 10.447 -9.490 6.977 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 -1.419 1.053 1.274 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 4.485 -0.293 4.143 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 6.346 10.682 14.381 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 2.671 -1.037 8.010 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 5.852 -1.911 7.826 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 -4.719 -10.967 3.550 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 1.995 -1.028 -3.431 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 29.620 -14.090 11.312 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 -6.331 -9.287 -4.980 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 0.932 2.417 2.642 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 -6.457 -5.678 7.661 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 7.194 0.710 15.381 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 -5.281 -7.193 -1.011 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 -13.466 9.345 -3.465 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 -11.717 7.146 6.919 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 1.633 -1.689 5.165 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 -9.238 -13.160 2.300 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 18.513 9.374 10.003 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 2.603 4.460 1.156 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 -9.697 20.769 12.819 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 4.537 18.303 -18.502 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 2.966 -0.476 -0.519 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 -10.182 1.442 -1.509 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 13.578 9.672 4.636 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 -1.061 -0.243 -0.396 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 -19.745 -4.759 0.854 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 5.524 15.315 6.196 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 3.806 0.538 -3.730 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 19.770 10.812 -0.297 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 3.947 -10.613 5.343 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 0.738 -5.789 7.308 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 8.723 2.852 6.651 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 10.375 -11.834 8.933 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 -5.768 0.956 0.823 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 9.809 -10.257 7.137 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 5.155 5.035 -12.949 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 -2.516 1.584 -2.350 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 4.947 10.509 1.357 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 -8.240 5.719 -9.307 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 -4.046 0.717 3.874 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 -14.631 -4.378 12.807 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 2.004 11.085 -7.149 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 -2.192 1.425 -1.269 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 -20.718 -2.182 -19.312 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 -8.179 20.934 13.911 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 0.963 -0.894 3.545 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 10.814 -4.809 1.398 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 15.695 -7.646 -0.147 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 -3.997 -2.938 0.180 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 23.252 20.121 -8.821 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 -14.042 5.274 -7.541 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 -8.220 2.860 3.772 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 -23.178 7.178 -9.582 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 0.896 10.797 12.079 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 -1.741 -2.500 2.210 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 2.242 -53.167 -6.344 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 -2.346 9.902 4.503 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 7.752 -2.686 6.409 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 8.369 -12.746 5.254 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 -28.364 3.845 1.065 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 1.656 -2.977 2.061 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 8.288 -24.410 -9.844 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 -23.333 -0.986 -0.205 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 -4.319 -4.389 5.728 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 -11.937 -2.930 7.543 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 1.420 1.960 15.685 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 -1.986 8.041 -8.739 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 23.651 12.870 23.685 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 20.945 -10.570 -27.820 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 5.012 0.140 2.949 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 -16.024 7.862 -9.500 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 1.408 -1.873 24.274 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 -5.311 -1.914 3.716 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 -2.609 -5.526 8.696 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 -22.292 14.272 -21.513 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 -0.393 4.955 3.972 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 -22.065 27.252 10.662 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 2.632 -0.376 6.795 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 -0.523 -5.833 -6.081 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 -6.149 3.428 -0.375 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 -4.310 5.494 4.713 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 9.513 1.429 3.026 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 -20.297 -0.976 -20.104 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 -7.306 15.326 -0.747 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 -1.676 -6.737 5.983 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 -11.036 -3.351 -3.661 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 -20.009 -7.288 7.259 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 -3.179 -2.136 4.669 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 8.750 -12.170 -8.746 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 1.177 -5.827 -14.058 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 5.488 -4.204 -0.093 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 -3.656 9.996 -6.101 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 -38.120 7.908 17.050 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 -3.979 -0.415 -9.184 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 1.151 3.931 13.304 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 -4.877 -5.035 -26.545 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 0.114 9.719 4.610 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 -16.995 27.286 -8.175 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 -7.044 8.715 -14.014 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 -5.265 -2.255 4.262 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 22.221 6.882 -31.560 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 -15.050 18.107 -12.738 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 -0.562 4.554 -1.843 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 -5.590 12.351 -13.483 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 5.046 -17.789 17.333 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 -9.366 -0.385 2.983 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 -16.846 -9.924 4.056 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 -3.201 -5.347 -1.263 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 3.487 -3.647 1.366 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 7.848 11.575 0.705 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 -5.137 -4.046 4.107 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 6.998 -1.803 -1.188 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 10.202 1.002 -6.552 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 4.656 -27.365 -11.958 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 -1.945 1.490 10.506 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 -6.133 2.258 14.472 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 6.933 0.231 -5.297 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 -3.632 5.001 0.791 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 -4.014 6.540 -2.738 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 12.084 -10.314 -4.713 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 -0.719 3.511 0.816 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 -1.304 -3.295 15.973 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 11.036 -3.805 -10.235 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 -2.705 1.838 -3.900 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 2.736 16.789 -6.947 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 -9.946 4.061 -1.056 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 -1.551 -1.459 -8.910 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 -7.820 -1.853 -30.562 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 -0.571 16.255 5.323 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 -2.740 -6.094 6.003 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 -12.108 -7.933 4.661 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 -0.984 -5.461 12.192 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 4.694 -2.780 -2.528 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 2.185 16.980 -4.628 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 3.135 16.867 -6.057 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 -0.719 -0.868 -3.010 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 4.546 -16.212 -15.826 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 -9.215 11.328 16.663 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 6.435 1.878 3.552 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 7.267 2.518 7.329 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 1.727 -13.703 -20.619 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 -3.796 1.749 4.846 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 2.426 -1.915 1.588 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 -19.739 -3.875 -9.527 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 3.910 -0.028 -5.589 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 -0.227 -0.905 -6.453 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 -1.755 -3.114 -11.026 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 2.242 1.269 -4.009 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 -1.482 17.019 -11.893 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 0.045 9.987 -19.112 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 2.359 1.657 0.032 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 -16.062 -5.918 -6.920 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 -2.851 0.063 -0.376 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 -4.872 -1.509 -3.065 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 -5.563 2.112 -17.695 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 -0.313 5.366 -7.817 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 1.375 -2.277 4.241 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 22.647 -31.345 -12.161 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 0.635 23.969 -18.072 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 0.947 0.603 3.078 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 -7.498 0.332 3.941 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 8.438 0.917 -1.972 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 -1.783 -2.948 -5.213 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 -13.691 -13.530 13.477 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 -8.231 -7.515 3.122 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 4.481 0.866 1.688 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 -12.469 8.648 15.290 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 4.748 -4.378 8.276 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 -7.095 3.888 -2.044 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 -8.876 6.175 -2.319 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 12.338 8.625 -10.904 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 2.237 -3.552 4.302 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 -4.495 -4.710 -2.135 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 6.506 0.821 12.195 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 4.416 5.325 -0.908 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 -15.582 -7.276 18.715 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 -1.557 2.876 -8.099 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 -0.499 3.364 0.449 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 -0.608 1.965 1.329 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 -4.619 -6.019 5.638 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 2.134 -2.121 6.774 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 3.972 10.609 -3.994 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 17.323 -0.253 19.894 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 3.907 -0.080 0.102 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 5.919 5.850 -4.751 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 -10.635 17.677 2.991 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 9.428 -0.042 -0.143 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 13.333 -0.648 2.026 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 8.960 -1.767 -1.607 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 3.335 4.555 -3.084 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 -4.080 15.069 -3.113 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 -11.041 7.515 -2.482 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 3.961 -2.242 -2.431 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 20.192 0.366 7.013 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 -1.014 -0.203 -5.099 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 -2.620 -1.912 -1.096 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 22.516 -13.132 -46.274 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 22.029 -34.285 -8.701 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 -0.926 -4.828 2.757 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 -5.022 -1.601 7.625 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 2.772 3.879 9.531 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 -1.004 0.021 4.251 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 4.468 -1.260 6.824 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 2.981 16.153 4.206 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 0.949 -1.615 -3.428 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 8.103 -9.553 -5.076 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 0.529 -1.522 -4.575 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 -0.427 -1.173 6.047 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 21.725 -1.516 2.535 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 -31.392 -11.511 -14.231 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 7.711 5.154 -7.925 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 10.011 27.979 -13.631 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 20.731 0.966 -2.560 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 5.279 3.025 0.119 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 -2.376 -0.033 1.997 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 8.972 8.927 -3.130 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 2.086 1.210 -0.835 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 17.508 1.908 -10.233 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 -9.862 -7.942 -11.465 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 -0.184 6.640 -7.871 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 7.948 -1.978 -5.746 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 -4.657 11.065 1.885 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 -1.050 -11.650 0.499 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 -11.744 -25.406 -4.568 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 1.998 -15.293 13.809 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 -2.169 -3.792 -2.108 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 8.494 -5.328 -9.934 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 -5.748 -5.304 -8.381 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 -1.255 6.405 -2.000 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 -5.319 1.903 -9.070 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 -13.191 2.146 -11.350 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 0.964 4.837 1.574 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 -21.841 16.362 2.829 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 -6.552 -2.473 23.125 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 2.962 -5.010 2.954 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 -20.500 9.325 -13.757 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 0.194 3.407 -4.982 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 2.947 1.090 -0.179 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 -5.773 -1.772 -4.044 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 9.175 7.410 11.631 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 5.283 1.391 -3.574 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 10.778 -21.926 1.014 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 -7.787 6.162 6.055 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 -2.680 -3.302 6.548 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 -3.133 -2.411 6.632 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 12.318 -20.996 11.370 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 -1.350 5.883 6.145 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 -8.569 1.176 15.109 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 14.501 13.846 7.410 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 -2.592 0.854 0.921 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 3.805 1.661 -9.714 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 3.102 -2.289 -9.439 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 -2.751 0.743 -1.768 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 -6.597 -9.665 -13.220 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 5.009 10.736 -0.586 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 -1.966 3.186 2.800 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 -14.100 9.370 30.162 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 0.954 -2.143 -4.534 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 -3.275 0.074 5.000 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 -13.204 2.158 8.745 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 6.501 -15.183 3.743 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 5.365 -2.337 2.425 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 10.357 -7.094 7.624 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 7.126 -6.573 5.489 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 1.095 1.762 6.288 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 5.104 -1.005 6.815 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 4.226 -9.273 2.689 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 -4.053 1.490 -2.888 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 -0.475 -25.374 -18.887 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 1.625 -12.617 -18.506 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 -9.553 2.132 -3.895 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 -24.649 -1.074 -3.662 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 -9.966 -2.013 -7.332 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 -2.042 2.242 -4.285 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 1.932 -2.130 11.571 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 -0.302 3.710 -0.011 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 -2.081 1.510 1.915 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 -4.543 3.657 5.259 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 -4.532 3.163 0.859 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 -0.467 2.523 -0.624 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 -7.881 2.988 -6.746 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 11.234 6.719 3.260 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 -0.860 -3.806 -4.648 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 5.073 -4.794 33.166 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 25.616 4.757 -7.580 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 -5.246 2.196 1.195 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 -18.817 0.125 -5.118 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 4.905 -7.095 -27.088 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 -1.355 0.983 -4.746 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 -6.009 -2.088 -4.896 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 -2.531 3.058 -3.483 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 5.965 -3.026 2.982 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 0.134 -15.278 1.669 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 -13.897 -0.457 -20.078 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 2.013 6.911 3.930 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 10.428 18.726 -5.147 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 -3.543 13.396 9.756 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 3.811 5.523 -6.786 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 -8.707 7.205 -18.155 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 -8.164 10.158 -18.029 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 -14.822 3.698 2.823 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 -15.175 4.698 0.029 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 -15.854 13.806 24.650 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 -5.373 1.753 1.295 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 -17.051 36.832 -1.062 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 -27.019 -1.816 -5.951 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 -1.583 -8.316 1.741 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 -2.120 -7.662 -13.132 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 0.732 -6.832 -1.201 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 0.500 -1.079 2.321 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 15.009 2.974 5.998 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 -0.899 -11.777 9.489 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 -1.324 5.971 -2.464 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 -1.507 7.267 5.132 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 -2.119 7.179 16.671 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 6.357 3.659 -1.332 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 -0.362 23.875 3.094 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 -7.322 -11.924 0.639 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 -6.829 4.104 3.044 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 9.935 10.136 5.760 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 -17.345 0.130 3.883 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 0.817 2.995 -1.022 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 -0.427 0.714 9.044 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 -1.081 1.364 -0.131 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 1.667 -1.076 1.536 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 -0.872 -20.411 -3.602 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 3.107 26.689 12.377 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 3.587 -3.152 3.055 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 -4.499 -4.919 4.106 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 9.818 -11.924 9.627 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 -3.421 -0.661 -0.098 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 -40.703 -15.014 -7.148 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 -6.963 3.631 -4.263 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 -3.090 0.112 -3.928 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 -15.568 8.102 -1.461 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 2.676 -1.323 -8.880 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 0.480 9.285 -0.576 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 19.482 3.743 -33.824 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 -11.589 -21.709 -17.692 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 -3.495 6.263 3.449 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 -2.413 9.603 3.958 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 0.318 1.529 -0.250 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 -2.265 -0.781 -3.832 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 3.735 16.619 -11.218 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 -15.374 -1.319 -13.526 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 -4.140 -0.136 5.690 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 9.322 17.200 -0.001 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 4.051 14.466 -4.776 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 2.068 6.088 3.146 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -17.440 4.231 -0.587 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 0.951 -0.615 -3.774 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 -3.521 -8.967 -1.761 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 -25.029 -0.651 -9.060 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 -52.042 10.745 -2.511 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 -2.753 -4.616 11.056 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 -4.885 1.883 4.756 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 -5.185 -12.476 8.607 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 -1.278 1.935 1.647 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 2.633 -10.492 1.149 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 11.359 8.869 -1.536 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 2.756 5.203 1.827 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 3.460 -17.329 0.865 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 3.068 24.175 2.448 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 5.285 -5.308 -3.287 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 -8.651 -7.938 13.721 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 -9.721 -5.772 9.971 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 -4.761 8.699 -0.265 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 0.636 10.534 4.797 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 -7.491 14.544 -5.103 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 -2.086 -6.694 -0.730 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 -7.221 9.529 13.927 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 6.867 2.254 31.656 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 1.691 -1.953 -0.619 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 -3.799 8.493 8.644 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 -5.073 -4.163 -11.141 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 5.995 6.123 0.904 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 7.188 6.533 -3.338 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 -7.918 14.383 -10.756 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 9.480 4.366 -0.714 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 -4.271 27.338 4.557 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 -7.849 1.321 1.809 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 2.933 0.740 -4.477 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 2.551 0.843 0.684 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 2.215 1.091 -10.998 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 -2.375 2.566 1.845 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 -0.995 -3.803 -0.362 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 -6.840 -21.863 -15.747 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 -0.684 2.266 -4.334 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 0.638 -5.332 -4.932 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 2.784 -14.775 -5.518 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 3.962 -4.334 -7.252 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 -7.277 -29.263 -35.696 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 -4.924 -2.632 9.131 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 -2.339 2.049 -6.138 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 -12.277 4.910 -3.294 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 10.315 6.631 4.258 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 -0.142 -0.740 -6.154 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 12.747 8.187 -1.026 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 -3.117 -3.123 -25.698 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 -0.452 0.048 -4.874 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 -2.250 -2.684 -6.347 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 11.550 16.733 3.916 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 -0.603 -2.014 -3.060 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 -8.765 -4.776 0.542 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 -5.789 -2.992 6.080 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 -4.561 -2.389 -3.832 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 -5.286 -0.923 -11.123 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 4.519 -0.852 -6.959 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 -7.554 6.095 -0.212 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 2.624 -3.821 23.251 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 13.169 16.914 11.513 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 2.465 -6.088 -3.066 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 -5.869 -7.248 -10.209 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 5.639 -1.011 -5.488 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 -5.670 0.949 -1.824 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 -20.738 -16.851 -3.635 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 -5.664 12.719 12.041 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 1.735 2.543 -3.813 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 25.583 -12.813 -9.406 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 0.577 -5.734 -6.031 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 0.040 -6.677 1.033 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 -1.819 -4.901 0.741 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 1.547 -5.477 1.373 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 -6.087 2.622 -2.064 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 -15.307 9.816 -16.325 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 -14.871 9.416 12.343 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 -7.624 1.603 1.195 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 -7.064 6.993 2.868 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 -4.187 -0.959 3.592 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 3.411 1.931 -3.976 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 -5.212 -5.689 -17.493 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 8.126 6.567 2.831 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 -3.772 -0.063 -3.272 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 -9.388 -0.833 -7.859 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 -5.633 -0.263 -7.816 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 2.033 -4.512 3.327 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 0.965 -4.950 -39.338 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 9.257 -8.545 8.075 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 -2.302 -1.065 -4.655 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 -17.102 -5.898 -24.414 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 -24.878 15.617 19.104 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 -0.619 7.368 -1.067 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 -19.066 5.534 -3.405 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 -14.350 8.229 0.332 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 4.141 1.188 -2.656 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 28.237 -12.367 -6.460 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 7.582 -6.988 1.401 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 2.107 5.334 -9.061 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 10.248 -23.668 -10.096 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 12.730 12.998 20.520 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 5.583 -1.694 -0.581 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 -10.840 18.810 18.527 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 12.047 5.432 -14.878 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 -5.407 2.041 -0.457 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 -12.348 6.890 -1.369 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 -11.105 -4.004 10.966 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 0.025 0.289 -1.700 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 16.006 1.951 9.106 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 -3.516 -0.800 -5.674 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 -5.243 1.818 4.360 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 13.398 4.929 10.987 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 -7.472 27.934 -2.871 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 -2.380 -0.407 -0.696 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 -5.675 5.111 5.262 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 2.123 -6.806 7.598 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 3.787 -0.290 -5.486 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 1.247 6.613 -3.083 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 13.477 -15.348 -10.735 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 3.757 5.924 -2.521 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 -1.800 7.558 -11.030 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 -10.379 16.558 22.220 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 -0.953 -3.837 -2.134 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 11.140 -12.372 31.695 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 13.896 -10.689 -28.274 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 -6.855 -1.307 4.341 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 2.913 6.088 -18.328 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 10.647 -3.177 26.294 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 3.752 4.315 -1.418 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 0.972 -15.815 10.499 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 4.972 1.281 -15.060 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 0.122 0.544 -0.081 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 2.811 -0.729 -1.634 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 7.261 0.314 9.181 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 0.084 1.610 0.479 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 0.275 0.037 10.864 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 -1.592 -4.162 -29.142 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 -2.575 -3.314 -4.097 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 14.496 -0.871 -9.665 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 -9.956 10.502 -16.474 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 2.804 -2.095 -4.993 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 1.842 15.893 -19.569 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 12.421 6.525 -12.124 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 3.973 -0.398 1.325 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 8.606 -0.758 9.074 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 -24.778 -4.477 10.233 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 -1.965 -2.017 -3.820 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 5.431 -0.294 -6.059 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 -0.375 -7.855 -5.947 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 -2.009 -9.995 10.991 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 12.521 -7.805 -8.039 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 -17.960 -16.976 7.135 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 1.306 -0.513 -0.869 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 17.663 9.968 4.836 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 -9.659 -21.077 -37.096 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 -1.488 -0.201 -0.386 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 2.714 2.156 -4.504 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 -5.845 1.742 2.655 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 2.005 1.748 3.371 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 4.598 32.658 -1.870 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 -14.464 -24.669 -3.517 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 1.909 3.415 0.478 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 -22.242 2.752 2.801 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 15.864 0.751 19.673 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 -3.774 -4.706 2.240 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 0.071 -1.772 -6.226 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 9.162 -23.543 20.628 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 -2.458 2.221 -1.121 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 1.260 -13.365 -19.068 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 -17.757 15.566 1.423 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 1.930 0.616 0.563 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 1.376 9.778 -3.710 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 1.245 -1.062 8.556 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 -5.174 -2.568 4.307 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 1.993 1.437 3.900 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 -8.833 -9.144 2.491 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 6.142 1.586 -11.316 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 0.769 1.083 -11.405 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 2.927 2.945 -11.813 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 4.202 2.743 -3.872 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 5.199 3.301 -0.615 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 1.091 3.114 -10.029 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 1.667 1.094 0.453 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 2.460 1.221 -17.444 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 -8.413 -2.167 -3.403 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 1.480 -0.816 7.290 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 0.846 18.851 21.980 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 2.292 -8.182 2.327 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 5.739 -0.148 4.088 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 10.063 -6.870 9.378 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 0.575 -8.055 -1.552 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 1.846 -1.077 -2.361 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 0.630 -12.350 -4.867 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 -0.890 15.420 -7.952 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 -3.753 -0.856 -0.594 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 -7.843 4.186 2.015 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 -9.769 6.283 -10.795 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 1.617 -3.645 -0.134 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 -10.322 -14.334 0.993 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 2.311 4.451 0.080 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 -1.124 2.594 0.078 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 -14.705 -1.292 -12.582 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 -23.534 13.928 20.576 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 -1.227 -1.011 -5.029 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 -1.745 -5.675 1.419 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 -0.128 6.772 -2.277 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 1.750 -0.061 3.364 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 7.734 -1.585 7.292 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 -6.349 -4.787 -6.033 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 1.559 0.505 -2.404 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 -7.709 25.625 10.351 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 7.120 -21.228 9.405 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 -3.383 6.281 -3.932 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 -12.353 7.028 -6.511 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 -10.031 11.135 0.352 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 0.190 -1.832 -1.661 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 -34.984 -14.661 -14.391 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 -14.581 7.989 -20.453 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 2.677 1.995 -1.387 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 3.455 16.613 1.554 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 -1.467 3.780 -2.709 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 2.696 1.061 7.984 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 3.315 -8.051 5.544 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 -17.704 -15.387 -27.760 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 2.524 1.848 -1.337 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 -0.006 -3.940 11.892 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 -5.313 -6.280 23.486 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 1.277 -2.593 -3.064 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 -21.151 -6.446 -7.797 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 21.410 2.040 0.284 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 -1.898 0.930 4.220 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 3.702 -3.660 -2.126 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 3.382 -0.798 14.066 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 -0.273 4.275 -1.607 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 12.718 3.867 -9.623 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 2.281 -14.322 -16.819 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 0.695 0.561 -1.253 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 3.335 -5.022 7.131 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 -1.871 17.505 5.751 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 3.087 -1.460 -8.323 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 -10.790 1.776 -5.941 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 -21.097 8.646 -7.946 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 0.446 -2.566 1.579 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 -19.535 5.584 14.330 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 -6.138 -11.325 -17.986 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 -3.415 -4.224 -2.198 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 -8.758 -3.035 3.058 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 -35.894 -22.300 15.431 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 1.571 -8.057 -2.851 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 -18.345 14.466 9.640 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 -5.554 13.607 -12.397 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 2.225 -1.173 3.992 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 -3.062 1.681 1.322 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 -8.157 9.616 -0.240 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 2.007 2.576 4.216 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 15.496 18.298 -13.348 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 7.713 21.192 11.359 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 0.090 1.206 -3.224 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 -14.496 7.317 17.734 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 2.297 0.540 -11.495 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 -3.073 -0.239 0.831 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 5.223 -11.364 -27.496 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 7.779 -24.986 6.129 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 -7.584 4.006 1.441 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 -7.222 -9.628 -9.267 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 -1.047 -10.237 6.414 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 0.736 -2.555 -3.980 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 5.289 -5.596 -2.491 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 -13.101 3.683 -9.045 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 -3.236 -1.393 3.125 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 -7.091 -4.837 -30.437 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 18.168 -0.862 4.580 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 0.335 -1.524 -2.934 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 0.682 1.287 3.525 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 4.948 -5.275 -3.852 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 -0.267 2.784 -0.186 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 -13.569 -26.263 -15.459 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 -6.674 -7.254 -1.677 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 0.469 -10.138 4.600 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 -0.013 -10.390 5.005 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 -6.433 -4.398 10.484 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 2.040 1.836 6.996 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 4.984 -4.604 22.408 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 -6.427 6.128 -20.617 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 -5.519 -4.272 0.606 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 -17.695 16.271 6.216 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 4.645 -1.498 -8.572 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 4.259 3.813 3.425 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 -2.205 -6.587 4.957 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 -0.931 7.264 -3.474 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 1.851 -4.402 -3.361 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 2.481 -3.775 -6.230 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 3.508 -1.531 -18.515 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 2.768 -1.019 7.900 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 0.139 4.756 3.496 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 4.446 -3.579 3.989 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 4.869 0.312 -1.218 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 4.433 -4.197 -5.409 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 4.030 -9.905 -13.229 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 -1.363 -1.639 -0.060 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 -1.582 -3.671 -2.971 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 3.790 -13.367 -9.683 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 2.216 -1.223 1.621 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -5.717 -4.401 14.695 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 5.210 -19.136 -3.804 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 -4.496 0.006 -0.127 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 14.540 38.435 -38.554 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 19.281 -8.769 17.379 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 -6.749 -1.495 4.965 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 20.233 -9.763 2.678 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 0.727 -1.579 5.181 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 3.603 -0.591 3.861 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 1.019 2.276 2.714 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 6.428 2.064 2.127 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 -8.265 -2.475 -0.387 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 -9.922 -19.641 4.054 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 -8.770 5.337 -7.737 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 2.960 -5.103 -3.682 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 -9.637 -34.180 -29.168 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 2.774 -9.580 -15.985 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 4.301 5.502 2.767 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 -2.197 -1.836 -12.658 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 6.537 18.442 10.499 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 -0.120 -0.894 -2.126 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 0.611 -3.771 -5.011 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 3.968 -23.665 -18.821 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 1.271 -2.063 4.223 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 7.655 5.824 3.627 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 29.194 -1.071 22.795 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 0.725 -2.054 -3.907 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 0.521 -8.110 -0.099 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 1.997 3.912 -9.250 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 -6.324 2.617 3.375 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 -5.349 4.129 2.203 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 -7.689 3.737 4.821 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 5.530 0.360 -1.379 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 -15.230 5.225 -12.290 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 -22.897 6.154 -11.597 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 -1.402 4.192 9.264 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 12.790 -0.744 2.365 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 -13.430 10.894 -3.538 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 -0.612 -10.045 6.613 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 4.590 -31.187 26.048 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 18.340 -15.428 -20.015 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 2.213 -4.788 -0.925 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 -9.656 -9.965 -15.288 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 23.588 5.949 22.394 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 0.776 -0.678 6.828 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 -2.513 -29.745 -1.502 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 2.613 14.682 18.068 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 0.729 0.134 -0.160 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 -8.579 -1.553 -18.436 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 -6.393 -4.661 24.362 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 -5.403 -1.476 4.627 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 -3.532 14.256 12.051 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 2.538 -0.827 5.569 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 3.771 3.135 6.729 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 7.627 20.425 0.654 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 -0.202 2.388 7.121 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 3.716 -10.552 -2.908 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 -9.871 1.871 8.736 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 -18.593 7.415 -5.758 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 0.852 0.582 -5.974 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 13.508 -14.217 30.251 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 -7.589 21.265 15.293 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 0.201 0.455 2.763 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 -18.626 14.635 12.180 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 6.040 -8.899 4.372 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 0.750 -2.944 2.635 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 0.995 -3.503 1.910 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 -1.467 -2.837 2.215 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 -4.735 2.200 5.772 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 -3.700 23.889 0.770 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 12.825 -3.830 11.029 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 1.655 -1.735 -2.612 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 15.834 9.031 3.786 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 11.209 -6.845 -9.702 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 2.586 1.531 -1.040 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 15.297 -13.337 1.897 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 -23.090 2.207 -0.709 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 -0.247 -3.625 3.353 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 -1.734 -10.661 0.245 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 7.104 6.258 7.180 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 5.992 2.197 -0.662 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 -0.504 13.279 -6.874 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 8.719 -1.209 3.252 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 0.655 0.723 -2.636 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 17.391 11.711 -19.469 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 -0.114 5.655 4.398 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 -2.615 -3.784 -2.417 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 -3.899 -1.673 6.374 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 -13.794 4.858 4.122 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 2.013 1.537 -3.669 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 9.310 8.275 13.968 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 15.839 21.807 -4.174 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 -0.330 -0.941 -3.911 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 0.651 6.724 3.700 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 22.769 7.326 18.239 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 -0.188 1.476 -2.246 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 -0.441 -3.779 -7.211 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 -13.748 -23.055 4.507 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 -1.743 -1.226 -0.281 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 -8.254 -0.512 3.435 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 -0.507 -3.014 -5.431 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 -3.208 3.446 -7.119 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 3.216 1.339 8.414 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 -2.528 0.633 -17.385 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 -3.034 -0.773 4.904 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 -8.262 2.581 6.840 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 -5.912 -16.409 11.887 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 -0.598 -4.614 -1.974 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 -24.763 -10.708 -9.045 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 -2.745 -1.857 4.065 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 -3.583 -0.188 -1.881 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 -4.340 1.290 1.382 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 0.640 4.114 -2.321 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 -4.476 2.225 1.539 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 -11.903 -17.052 2.714 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 -0.352 0.727 -1.592 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 -1.443 4.480 -0.771 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 2.433 -3.675 3.864 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 2.886 -2.588 13.033 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 -0.729 5.060 -1.117 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 14.177 6.004 -5.828 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 -5.110 1.294 -1.417 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 -6.585 -4.366 1.487 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 6.008 -3.481 -6.059 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 -7.796 12.765 3.465 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 0.800 1.459 2.454 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 3.237 4.106 17.410 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 9.347 11.760 -5.194 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 9.454 4.254 3.032 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 -13.855 -7.320 4.110 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 22.278 38.771 31.704 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 0.924 1.056 -3.204 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 -10.621 12.637 2.884 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 -10.716 8.240 32.389 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 -3.485 4.719 -3.583 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 -6.237 -8.001 -0.131 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 -18.758 -12.322 -5.319 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 -4.729 -0.455 1.618 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 11.185 15.483 16.952 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 -21.306 -14.577 -11.493 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 1.269 1.923 4.558 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 7.326 38.851 -3.866 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 1.941 -15.337 -1.410 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 1.447 -5.039 2.485 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 0.175 -10.139 -7.469 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 0.790 -3.967 8.203 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 -2.146 -6.477 0.632 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 25.808 -8.341 -1.064 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 -7.098 -2.212 -5.259 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 3.735 -3.006 6.653 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 21.283 3.658 14.466 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 2.351 -10.044 -15.712 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 -1.468 -6.537 -2.956 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 10.659 -1.171 -7.134 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 3.578 -6.556 -5.009 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 3.933 7.723 6.141 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 13.667 -7.003 -6.837 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 -14.199 7.677 12.936 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 -1.164 -0.544 -0.935 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 4.779 -2.595 12.753 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 -6.267 -24.622 -6.460 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 -3.966 -2.570 -5.210 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 22.853 -15.710 18.476 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 1.933 0.322 -16.308 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 -0.320 3.394 -3.810 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 16.904 9.188 -18.793 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 -9.133 -12.070 -14.678 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 -4.812 -1.726 -6.159 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 -7.268 3.188 -4.888 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 14.794 -5.496 -5.558 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 -4.629 0.626 1.122 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 -9.045 5.507 6.051 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 19.674 9.482 9.303 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 -0.253 -3.565 2.889 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 6.785 8.821 0.348 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 -22.707 0.248 7.092 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 -0.990 -3.795 1.778 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 2.877 1.727 -7.319 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 0.833 -10.030 31.405 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 -5.793 1.330 -6.218 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 -20.440 5.764 1.153 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 -19.204 5.778 2.781 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 4.595 -1.029 0.461 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 -9.011 8.275 15.810 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 -5.897 -12.375 -18.306 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 3.034 5.118 1.544 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 -7.903 -2.926 -0.223 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 -36.683 24.432 10.633 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 1.086 2.783 3.762 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 -10.590 -15.628 19.855 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 12.918 -43.527 0.901 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 -2.117 6.264 1.150 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 -9.624 -15.401 14.989 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 -22.895 6.795 -19.538 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 3.303 -4.395 -1.171 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 20.074 17.584 1.553 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 6.191 -7.118 -11.723 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 4.169 0.329 -3.149 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 4.932 -2.458 -6.920 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 0.404 4.786 6.681 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 3.338 1.790 -3.845 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 4.773 -0.098 14.878 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 18.728 36.052 6.524 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 -0.401 10.993 -5.292 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 2.981 1.360 -8.985 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 -7.787 17.952 -15.155 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 -0.685 -1.114 -3.585 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 11.816 9.796 -6.447 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 -7.944 -14.019 1.667 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 1.739 -4.329 -12.103 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 5.725 -8.961 -10.208 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 27.883 15.153 -25.043 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 3.204 0.503 0.691 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 -9.999 -0.559 -1.796 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 0.745 -6.926 -3.355 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 -4.152 -4.812 -0.337 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 -3.115 13.199 20.622 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 27.612 16.063 24.290 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 -1.886 8.332 -0.795 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 -15.104 10.792 8.906 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 -4.820 17.224 0.137 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 -1.331 2.618 -1.655 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 11.772 1.240 -14.005 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 2.538 3.940 -15.243 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 -0.078 -2.707 -3.500 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 4.413 4.393 -5.024 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 3.291 -14.828 23.420 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 -3.632 -4.439 -4.577 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 7.824 3.568 -15.402 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 -14.246 -4.869 -0.293 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 -4.320 2.868 -11.486 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 -13.583 2.082 -23.241 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 7.720 -11.218 -15.696 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 -1.567 6.478 -9.798 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 -3.883 23.285 4.710 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 -15.309 10.655 -18.626 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 2.750 3.552 1.141 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 1.381 -5.111 -4.327 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 4.537 19.847 0.194 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 -0.313 5.197 2.517 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 10.140 -10.342 2.692 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 -0.789 18.485 -11.967 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 -6.990 2.880 -0.604 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 -3.026 7.858 -6.131 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 -14.935 -7.136 11.671 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 6.920 0.565 0.940 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 4.567 10.162 -5.714 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 2.896 -10.672 2.659 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 -0.838 5.156 1.574 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 -27.667 -23.009 10.575 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 -15.163 31.957 8.591 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 2.214 4.888 -2.142 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 1.279 10.417 -4.800 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 1.128 4.143 2.878 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 -2.652 -0.666 5.012 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 -6.276 -8.930 11.562 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 -2.374 -0.824 -9.661 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 -5.195 4.800 -4.208 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 -30.197 5.747 -14.740 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 14.629 -9.017 -3.850 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 4.138 1.018 7.340 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 -8.706 7.173 -23.950 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 -14.531 13.231 -38.892 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 -7.794 2.591 1.062 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 -11.952 -12.392 -0.217 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 -4.129 2.965 20.074 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 1.122 3.055 4.585 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 4.462 -10.606 1.611 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 -12.958 18.334 10.343 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 -6.742 -4.359 -5.147 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 0.480 1.193 -13.927 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 -1.084 -20.796 -2.883 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 -1.793 -2.448 -6.024 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 3.072 -19.229 -18.716 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 -11.039 5.303 -16.623 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 -2.181 0.207 0.858 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 -0.369 16.869 -1.935 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 -4.910 -30.375 5.648 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 -3.273 6.715 -3.807 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 -11.623 -3.698 14.774 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 14.934 -3.214 -3.688 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 -3.314 -5.068 3.065 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 -5.111 -12.654 6.365 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 2.999 24.299 -3.965 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 -4.663 4.880 2.701 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 8.710 -12.635 -9.195 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 -25.494 13.886 -2.083 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 -2.635 -4.081 -5.164 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 3.210 -5.959 -3.348 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 -4.423 -1.025 -3.456 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 -1.201 -0.491 -0.097 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 15.102 -5.309 9.086 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 8.511 -8.833 8.788 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 5.128 0.464 -0.143 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 -7.050 -6.444 5.103 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 5.070 21.212 0.578 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 -7.008 -4.804 9.445 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 -20.706 -4.461 20.700 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 5.862 35.460 -11.735 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 4.046 -9.786 -0.088 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 -25.542 -17.876 1.467 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 -15.544 3.896 -4.770 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 -7.620 -0.547 4.630 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 -9.835 2.962 1.264 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 -7.712 -2.124 12.958 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 -5.573 -4.619 0.354 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 3.901 -11.249 5.953 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 -20.997 0.056 -0.349 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 0.637 -8.671 0.685 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 14.726 -19.482 7.415 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 -3.806 9.500 18.327 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 0.975 0.417 -0.581 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 3.523 0.427 -2.993 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 -1.430 0.698 -1.867 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 2.766 5.043 -4.064 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 -4.071 13.821 -2.319 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 4.973 2.312 -4.810 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 -3.164 -2.062 1.682 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 4.481 9.716 -2.504 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 17.675 34.184 -17.096 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 6.614 -1.928 -3.680 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 -0.141 -9.992 3.864 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 2.060 8.285 -6.650 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 0.133 1.634 5.420 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 1.438 9.934 -22.692 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 4.452 9.851 -22.620 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 3.735 2.983 -7.353 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 -15.978 3.639 -15.442 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 -2.987 -10.660 15.319 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 -3.180 10.509 1.869 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 -6.608 14.108 9.915 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 -25.849 18.234 -13.360 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 3.067 4.666 3.557 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 7.717 -3.826 26.061 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 6.797 -2.253 22.264 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 1.441 -5.004 1.285 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 4.659 -45.894 -43.919 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 -23.847 -25.415 5.242 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 0.281 -0.315 -0.398 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 -3.928 -10.339 4.035 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 0.704 -26.096 -6.732 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 6.208 0.670 -0.098 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 0.919 -6.794 6.425 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 14.910 -13.928 -15.194 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 1.555 5.372 5.431 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 5.775 -9.780 2.016 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 -7.108 -11.514 6.466 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 -0.019 6.656 0.831 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 20.092 2.162 4.246 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 -1.943 15.581 -14.173 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 -7.536 1.735 6.294 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 0.547 -13.054 -15.012 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 1.479 -18.750 29.182 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 0.798 5.418 -2.058 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 0.662 11.063 -16.243 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 6.124 -0.136 -16.841 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 -1.857 -5.799 -0.769 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 -7.486 11.062 16.085 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 -7.542 -26.018 -2.855 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 -0.781 8.556 -2.817 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 14.609 8.586 -13.410 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 -3.324 8.437 0.074 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 0.243 -5.220 0.532 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 -0.662 -0.978 15.141 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 0.608 7.331 9.452 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 4.761 4.048 -1.455 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 16.469 -10.335 -29.157 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 -0.482 14.533 9.419 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 -3.668 -5.695 4.367 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 -0.524 -5.581 -1.949 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 -4.296 -7.072 4.358 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 3.021 -0.822 5.165 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 10.376 9.433 -13.099 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 -6.671 -9.360 8.601 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 3.281 1.356 -4.088 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 -3.566 13.390 -7.714 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 4.102 8.759 -4.152 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 -2.952 4.629 3.394 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 -1.264 -5.840 11.797 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 -10.547 13.372 17.969 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 -7.569 5.823 -7.018 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 -14.832 11.045 -22.551 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 18.765 -15.922 2.347 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 4.558 -1.341 5.879 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 2.861 -0.714 22.422 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 11.371 3.025 -15.540 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 0.950 -2.714 1.562 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 2.634 10.019 3.577 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 16.213 -11.765 14.974 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 -2.896 2.519 0.167 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 -16.247 13.095 2.846 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 -6.860 -10.552 9.114 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 -4.650 -4.540 -3.590 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 2.598 7.753 -8.151 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 -13.107 -3.691 -3.101 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 -5.123 5.191 -8.690 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 8.784 -3.729 15.072 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 -20.205 -6.395 -16.495 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 4.332 0.807 8.190 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 2.488 -22.838 20.604 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 23.614 -0.948 -1.307 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 -6.288 1.992 -1.286 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 0.127 0.811 -7.827 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 -3.869 0.701 10.176 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 3.005 2.408 -5.900 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 -3.402 -6.009 4.338 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 -17.476 -14.934 -17.313 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 0.961 -3.413 2.896 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 -31.385 10.838 -7.386 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 10.398 -8.113 9.480 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 1.404 7.936 3.342 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 6.960 0.379 0.434 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 -1.911 21.714 11.373 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 1.295 -2.165 13.778 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 -11.124 -10.439 0.013 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 9.868 -17.716 37.156 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 6.268 -0.752 5.296 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 -11.039 -0.141 13.864 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 -0.114 -7.395 1.966 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 2.681 -5.176 -7.706 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 -1.220 -3.078 -15.614 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 -19.775 -2.481 -7.622 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 4.410 -0.196 -1.435 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 7.811 3.428 4.186 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 -1.432 4.213 -3.613 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 8.018 2.094 0.715 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 4.627 14.553 -0.110 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 7.857 -18.386 3.498 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 -0.275 0.593 -3.615 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 -7.306 -3.941 -9.459 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 -5.063 0.372 2.164 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 1.738 1.497 0.642 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 -1.443 3.068 5.134 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 -3.954 -2.872 3.123 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 1.577 -3.921 6.480 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 8.475 -6.809 8.144 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 3.448 -4.736 6.754 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 -0.770 -6.254 -0.228 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 14.026 -0.483 22.602 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 -3.233 -23.832 2.437 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 3.532 2.921 -0.423 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 -4.928 7.664 -6.665 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 3.504 3.199 -13.187 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 3.205 -5.885 0.931 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 -0.009 -0.297 -3.120 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 -1.935 -3.551 -0.482 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 2.041 -1.838 -3.758 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 2.895 -4.508 -2.876 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 3.187 -22.807 -20.979 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 -2.375 4.196 1.607 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 -0.609 3.851 1.701 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 -37.451 -17.169 -1.330 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 -0.141 -6.751 9.081 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 7.326 -18.411 -6.028 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 -12.585 11.282 4.145 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 -1.023 2.483 -1.824 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 -37.361 -0.731 14.099 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 22.064 2.784 -14.889 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 -0.759 -1.638 9.001 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 19.608 -19.524 -10.330 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 8.815 36.381 -19.015 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 0.494 5.903 4.187 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 -14.824 16.176 -12.160 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 -7.922 8.401 -0.984 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 1.483 -5.756 -2.686 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 -8.608 -7.850 22.765 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 3.073 3.402 -11.463 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 8.667 -5.292 2.703 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 -1.764 15.871 -16.057 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 1.783 2.678 -5.459 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 4.365 -5.651 -0.852 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 13.477 0.066 4.898 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 -15.128 -2.350 12.888 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 0.887 1.915 7.174 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 5.781 -2.459 5.458 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 9.184 -1.112 -1.765 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 6.148 3.832 -1.112 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 21.261 -8.779 0.865 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 -4.588 14.294 0.418 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 1.481 0.383 1.237 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 2.696 13.723 15.748 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 28.158 -18.186 -22.924 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 -3.513 2.931 -0.045 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 -7.965 -9.869 -0.879 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 -0.360 -1.242 5.862 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 0.333 0.995 -1.810 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 -7.038 -34.833 -8.378 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 19.457 -10.185 -8.416 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 2.986 3.377 1.503 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 3.834 -16.719 9.934 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 9.555 5.799 -2.569 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 1.981 -4.217 -0.985 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 6.823 12.160 11.035 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 12.798 -0.430 4.524 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 -9.270 2.015 2.458 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 14.451 -2.669 6.700 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 10.021 1.813 6.761 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 -3.143 1.665 0.731 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 -0.724 0.334 -4.887 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 -0.572 16.399 10.096 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 1.227 1.709 -0.766 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 3.311 -4.496 -4.737 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 7.265 -29.278 12.038 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 8.044 3.206 0.029 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 31.882 -4.830 -21.286 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 0.322 -4.156 16.620 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 4.604 -0.721 3.632 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 -4.760 -1.406 6.098 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 6.489 2.649 15.558 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 -0.002 3.607 0.164 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 20.050 -6.707 28.895 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 -23.116 5.226 -26.478 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 0.375 0.945 1.110 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 -2.541 2.709 -19.496 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 1.570 -0.928 9.115 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 -3.447 1.822 -2.884 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 8.842 -15.916 16.779 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 21.591 -5.895 13.227 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 -5.751 10.183 4.789 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 -11.125 7.542 29.103 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 -8.874 -1.946 7.575 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 -0.547 0.562 -3.358 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 5.086 17.879 -9.191 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 9.778 -17.239 -14.258 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 -3.714 -1.449 -5.552 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 9.509 -12.922 -6.527 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 -0.396 12.724 -1.572 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 -1.749 -5.516 3.108 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 4.850 -16.831 1.263 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 7.750 35.055 1.450 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 0.422 2.367 -2.440 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 4.974 14.589 -13.755 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 4.504 0.690 -12.831 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 2.453 3.649 3.380 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 -13.663 21.416 18.445 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 2.117 0.660 4.633 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 -4.913 -1.941 -2.476 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 -13.447 -11.498 21.275 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 -19.022 -8.536 -24.156 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 3.497 -2.366 4.934 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 7.801 5.223 -26.207 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 1.144 0.876 -33.301 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 -0.980 -2.232 -2.003 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 8.368 3.045 -1.155 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 3.927 11.841 -1.027 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 -2.573 0.406 0.920 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 -4.555 -0.984 -0.672 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 -8.001 -7.089 -2.188 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 4.737 0.626 -4.917 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 -15.536 19.023 0.572 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 -8.134 7.811 -1.899 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 -1.910 0.170 2.418 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 -17.993 3.934 8.367 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 2.024 15.182 -17.027 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 0.107 -0.566 -0.201 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 -16.773 1.649 -14.188 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 9.620 8.772 15.365 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 -5.338 -5.372 -2.424 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 -12.901 -16.741 -3.205 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 -9.383 0.429 -15.453 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 0.098 1.528 1.270 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 -10.823 -3.989 9.616 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 20.412 -0.927 -22.116 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 -1.389 -5.481 2.199 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 -3.214 -3.442 4.528 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 -13.417 2.418 10.219 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 -3.971 -4.633 -3.396 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 -8.565 -6.316 -7.797 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 -21.588 -24.205 21.273 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 2.796 6.084 -3.643 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 -3.675 0.455 3.600 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 11.963 -28.960 -7.518 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 -0.895 -5.142 -2.901 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 -2.423 -8.928 -4.261 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 9.398 -8.185 -9.367 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 1.393 0.535 -7.622 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 0.662 2.395 -13.267 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 6.448 -4.223 9.241 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 -0.138 0.921 0.416 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 -5.989 20.069 -17.960 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 -7.936 13.173 -1.451 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 -1.472 -0.533 -1.399 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 7.811 11.762 -16.521 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 -6.419 2.185 -5.673 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 0.733 -5.690 1.038 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 -9.681 -6.605 -7.259 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 12.131 -5.953 -6.503 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 1.675 1.094 -3.822 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 10.716 0.245 -24.782 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 -13.436 9.687 -14.820 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 0.307 -0.492 3.519 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 12.338 -8.529 10.196 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 8.924 9.159 -3.293 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 -0.694 -2.909 -3.018 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 -1.354 -6.079 1.395 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 2.308 -0.901 -4.765 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 -1.755 -0.285 0.134 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 -15.788 -0.341 19.742 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 2.449 -23.986 -3.765 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 -5.291 -2.252 -4.503 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 -4.770 -9.110 -14.051 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 -5.264 7.175 2.781 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 2.304 4.418 -6.537 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 -4.690 14.740 -11.811 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 -12.070 7.450 4.084 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 0.057 2.004 1.709 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 -12.447 -11.095 -23.269 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 20.609 -7.125 -15.072 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 -2.488 -1.096 -2.650 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 12.566 -0.314 9.883 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 -22.759 16.531 -0.526 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 0.559 -4.075 -5.719 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 3.808 -8.707 -4.055 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 -8.855 -11.291 -2.889 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 -4.534 2.196 3.845 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 -5.200 5.620 -4.048 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 3.077 0.196 5.624 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 -1.332 1.031 -4.882 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 0.185 -5.337 -10.616 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 2.442 -15.094 -19.096 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 -0.115 5.195 -0.781 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 0.299 7.569 -1.593 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 -9.817 -6.364 7.150 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 -2.169 1.016 -4.309 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 -4.945 4.646 -7.523 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 1.297 5.269 -7.684 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 -11.327 5.092 -4.470 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 -8.601 36.537 4.720 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 7.773 -20.465 -15.113 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 -0.195 2.580 -0.847 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 -2.881 3.450 11.487 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 3.533 -12.166 -0.981 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 -2.711 -1.236 -0.574 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 13.617 -6.987 -6.171 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 8.265 2.790 -21.475 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 -1.899 -0.354 1.767 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 14.657 -1.042 10.494 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 -6.722 -13.077 13.488 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 2.000 -0.665 -1.019 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 -1.140 3.222 4.060 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 3.135 -1.055 -1.725 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 -1.132 -4.930 0.747 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 -0.390 6.950 19.050 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 5.583 0.003 8.518 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 -1.795 1.430 -1.805 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 -17.269 -5.304 -2.299 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 4.857 6.762 1.355 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 -6.765 -2.116 -8.060 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 -1.808 -8.472 0.551 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 -14.950 20.553 -7.030 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 5.019 -2.992 5.183 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 6.554 -2.236 3.326 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 2.720 -1.941 5.711 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 6.771 -1.233 -0.318 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 -11.338 4.424 14.919 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 -8.105 -13.279 -3.529 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 3.151 2.511 -0.837 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 18.112 4.606 -6.509 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 7.842 -26.508 -6.203 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 -5.300 -2.634 -4.531 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 3.839 35.573 -1.488 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 -5.482 6.812 4.423 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 0.575 -1.665 -5.768 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 5.490 4.781 -12.010 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 22.746 26.641 -17.915 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 0.529 -0.720 0.659 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 -5.038 -8.530 5.280 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 9.105 5.421 12.970 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 -4.524 -3.695 -1.113 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 -4.609 -14.476 -2.018 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 1.914 -13.514 11.907 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 -1.450 -0.215 -7.345 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 -30.514 -12.228 -14.999 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 -0.724 -13.364 -2.053 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 -5.086 -0.680 4.349 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 -4.544 9.947 -12.195 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 7.647 7.563 -1.389 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 -2.508 0.477 3.659 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 -11.275 -4.517 2.506 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 0.573 -5.291 8.832 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 -1.203 -2.669 -2.079 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 12.470 -26.320 -40.343 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 15.161 -7.295 -11.493 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 5.174 2.896 -6.535 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 -9.836 2.737 -6.993 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 15.427 -36.096 10.228 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 4.343 1.459 3.238 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 7.262 3.246 4.262 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 -1.515 -2.239 9.372 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 -9.675 -4.352 -6.273 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 -13.675 -11.121 19.922 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 -14.334 7.951 -24.461 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 2.393 -4.907 -1.943 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 -24.114 1.703 -5.582 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 9.828 -10.234 -1.141 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 2.395 -5.408 -2.847 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 32.377 12.968 -9.202 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 -22.942 8.388 -1.739 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 1.564 -2.223 -4.889 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 2.049 -4.383 -7.547 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 10.487 4.866 -19.046 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 -3.660 -2.259 0.037 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 -14.294 5.197 -5.845 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 14.099 -5.277 15.785 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 -5.333 -1.142 -1.680 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 1.637 -13.235 6.119 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 7.044 4.654 4.107 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 -0.946 -2.565 -2.662 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 11.574 -3.618 -9.425 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 -11.133 -1.428 -12.827 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 -1.381 -4.757 -0.589 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 8.123 -19.797 -11.673 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 -7.858 7.023 0.905 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 -1.562 -2.871 3.685 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 -2.400 -19.947 -9.613 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 -1.254 0.422 9.991 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 6.584 -3.823 4.291 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 17.735 -1.302 2.732 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 0.322 -1.687 14.762 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 -1.288 5.649 -4.605 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 4.125 6.109 17.059 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 7.745 5.304 -19.370 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 -2.226 9.338 -2.046 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 -1.979 1.078 -24.870 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 -0.223 3.909 -1.768 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 1.158 -1.798 -2.537 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 6.676 12.753 -11.990 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 -23.882 -2.622 15.140 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 -4.954 -0.348 0.538 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 -14.038 -5.256 -1.788 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 -12.664 -2.370 25.381 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 1.941 0.068 5.801 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 9.702 7.006 3.831 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 4.943 -8.903 0.884 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 -6.342 3.774 1.008 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 -5.043 -8.650 9.144 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 -18.813 10.444 10.070 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 -4.895 -0.867 -5.735 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 6.207 18.769 11.140 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 6.221 9.096 -20.048 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 3.264 4.314 -4.449 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 -1.594 -1.607 -7.267 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 -4.652 -14.616 17.025 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 1.017 2.032 -0.937 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 -23.583 -11.514 -6.424 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 -6.877 1.675 -10.521 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 -0.270 -0.080 3.305 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 -5.808 -0.445 -6.118 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 15.054 13.658 4.256 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 -4.113 6.907 1.209 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 18.939 12.023 -3.807 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 -17.061 10.948 -1.683 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 5.512 0.553 1.840 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 15.161 16.833 4.780 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 12.345 -4.160 -0.231 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 1.816 2.281 -1.763 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 -9.276 4.594 8.968 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 0.018 0.238 -4.201 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 6.468 -2.412 -0.745 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 -7.593 -15.593 0.157 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 17.881 -8.530 3.662 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 -1.279 -6.752 3.666 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 -8.142 20.499 13.991 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 -3.007 -18.416 4.003 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 1.229 3.890 0.448 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 -8.409 7.674 0.174 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 -12.879 -4.972 -3.361 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 -0.882 -1.580 -1.145 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 -0.211 -7.191 16.048 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 25.435 -12.915 24.754 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 -6.336 1.465 -6.199 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 -2.013 0.422 -4.378 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 8.990 -10.300 -7.284 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 -0.014 4.485 -2.034 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 17.479 -10.784 -3.031 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 14.607 11.641 -4.897 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 2.591 4.220 -1.062 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 0.591 21.963 -0.433 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 -5.692 24.010 -0.199 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 -5.565 -1.484 0.932 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 -2.900 -4.531 -2.307 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 -16.071 6.892 7.227 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 2.651 -3.061 -1.940 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 -15.563 -15.110 -5.661 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 -3.844 15.957 -8.071 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 -6.200 -4.133 -0.721 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 -10.790 -7.512 -1.305 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 0.487 -2.498 -0.522 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 -0.940 -1.806 0.927 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 2.959 16.451 -26.747 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 10.771 29.911 20.561 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 3.894 -3.228 -0.241 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 -11.082 -22.798 -15.072 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 -0.116 -9.377 22.946 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 -2.343 9.207 -2.829 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 -8.823 7.852 -4.023 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 -2.376 3.109 -6.252 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 6.594 0.155 -2.168 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 8.525 -21.051 -14.741 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 -10.100 -1.706 18.355 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 5.526 -2.516 -0.697 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 14.278 13.327 5.985 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 6.152 0.762 0.443 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 -1.618 -6.949 4.484 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 -9.523 -15.336 -3.253 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 -4.722 -2.257 0.759 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 -3.007 0.424 -1.435 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 -5.144 25.888 30.696 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 25.754 -14.374 -9.800 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 -1.246 -1.244 3.177 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 -18.905 -4.516 12.211 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 13.521 -24.133 2.450 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 -4.049 1.079 3.893 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 -3.647 -4.660 10.277 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 -5.595 -23.587 -29.005 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 1.692 -0.995 -0.094 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 -9.883 15.278 -14.078 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 -6.186 23.636 3.179 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 -3.020 7.329 5.532 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 -3.886 13.838 -1.527 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 -28.166 -17.069 22.235 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 8.310 -0.678 -4.381 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 -4.661 5.259 -9.206 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 32.383 3.234 -2.661 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 -4.198 -3.198 2.617 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 2.673 -18.633 0.109 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 -0.433 -11.058 -0.424 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 3.716 -0.002 1.264 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 0.074 -4.317 5.279 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 -0.272 -1.585 -10.496 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 -6.969 -2.849 4.799 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 -8.144 -2.434 -3.477 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 -16.338 0.775 5.609 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 3.222 -0.099 4.053 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 3.532 1.080 10.072 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 9.551 1.718 9.599 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 -4.773 -4.537 1.023 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 -23.349 -6.434 -9.624 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 -9.860 10.240 6.338 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 -2.339 -2.955 -9.150 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 -9.042 -5.472 -4.231 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 -2.779 -6.283 -17.353 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 1.219 -5.292 3.000 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 11.649 18.302 -23.812 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 -18.380 -2.703 6.562 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 4.388 -3.141 -5.317 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 30.210 -23.464 -3.227 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 -23.424 -16.311 -20.402 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 -3.261 0.535 -2.436 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 -10.773 -5.316 23.467 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 -4.090 -4.663 15.833 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 2.356 8.223 -4.826 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 -1.432 -6.292 9.997 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 -3.339 5.519 -4.850 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 -5.312 -2.981 0.560 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 -8.388 3.907 -20.593 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 13.639 -3.822 -16.306 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 8.759 0.592 -0.574 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 16.014 4.197 -2.740 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 4.243 -0.898 -7.893 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 1.534 2.952 4.141 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 -4.446 -8.832 -9.478 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 18.195 0.104 8.999 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 -2.809 1.378 0.442 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 -16.563 -5.635 -12.970 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 15.388 32.453 33.737 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 4.076 0.761 0.632 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 16.145 -0.140 -3.202 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 15.500 12.507 5.120 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 1.508 0.795 1.182 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 -2.615 1.025 8.561 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 -13.482 -4.111 -9.151 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 -6.353 -7.709 -3.068 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 5.518 -3.864 9.197 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 9.554 -3.222 2.574 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 -2.972 1.744 -4.379 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 19.357 4.630 11.786 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 -5.505 3.868 2.956 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 8.406 6.001 5.023 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 2.019 9.812 -4.556 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 6.623 20.681 16.793 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 -0.799 -6.165 0.736 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 -16.148 -8.438 -27.821 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 0.575 -5.357 11.524 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 1.124 -7.873 -2.316 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 -9.219 -7.249 -7.994 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 9.442 -1.039 -5.744 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 -4.651 -9.781 3.746 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 17.081 -1.893 23.435 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 -2.179 -9.091 4.405 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 -1.068 2.723 1.718 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 -4.720 17.630 16.445 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 -20.567 -9.234 -2.216 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 3.306 -3.813 1.956 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 -14.648 -11.341 8.135 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 -1.274 4.023 -10.740 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 -0.812 -3.084 -0.718 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 14.402 19.951 12.861 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 -3.566 -6.781 -2.583 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 5.175 2.741 2.694 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 0.349 15.778 6.664 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 14.844 4.829 3.206 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 6.382 -1.495 -0.965 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 -6.776 25.834 -18.095 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 -9.723 -1.369 -2.459 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 -3.657 -6.845 -0.762 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 -7.350 -3.397 -9.065 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 0.062 2.809 -8.272 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 3.428 -4.417 3.155 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 19.323 -1.072 8.287 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 18.364 5.400 4.991 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 2.721 4.209 4.554 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 0.705 9.648 5.174 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 7.439 5.111 5.151 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 -6.291 1.134 6.352 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 5.200 7.370 -8.867 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 2.487 24.300 4.179 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 5.921 4.058 1.930 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 0.699 20.308 12.244 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 6.015 5.210 3.525 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 -2.568 -2.034 2.311 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 -2.240 -4.159 8.695 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 -7.436 -12.534 29.221 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 6.999 -2.063 0.135 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 8.663 2.423 -5.731 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 11.429 -1.509 -7.046 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 -7.280 -2.466 0.612 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 26.004 -4.304 -5.855 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 8.423 25.229 -7.870 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 -3.014 2.545 6.335 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 -10.362 -29.470 -13.590 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 -1.896 -10.153 -0.804 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 3.312 -5.498 0.119 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 28.642 4.646 -4.187 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 -3.672 -2.012 6.710 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 -5.818 7.712 -5.654 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 -6.060 -7.735 -7.147 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 10.241 9.808 2.066 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 -3.744 2.822 0.420 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 13.449 -2.485 -1.964 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 9.002 4.675 -25.235 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 -2.954 -2.023 6.136 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 -5.119 -0.870 11.344 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 1.485 0.410 -1.725 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 5.630 1.555 5.279 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 21.345 -4.747 -4.141 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 14.538 -3.574 -21.119 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 -7.511 -8.505 -4.845 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 -11.696 5.495 -5.082 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 26.226 17.416 -27.785 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 2.135 0.775 -5.304 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 10.707 13.008 -10.092 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 6.510 -2.617 7.480 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 0.908 -6.987 -2.985 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 -4.812 -0.428 -1.340 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 -1.614 19.982 -17.186 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 -1.966 5.444 -5.768 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 5.577 7.652 -3.403 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 -17.134 -12.529 0.459 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 0.490 -2.411 -1.497 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 -0.529 6.826 -5.644 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 -14.069 7.226 2.198 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 1.157 -1.897 -1.325 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 8.909 -5.535 8.865 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 4.619 7.858 -3.822 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 -0.198 5.880 6.112 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 -3.072 5.767 12.900 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 12.140 -21.557 -5.583 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 5.511 1.981 -5.263 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 7.380 11.847 0.928 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 -1.054 -7.590 19.586 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 1.326 -2.304 -4.243 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 2.552 -18.246 -5.968 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 3.261 4.184 2.370 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 4.118 3.563 4.381 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 -5.436 -15.401 5.423 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 21.805 1.257 3.553 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 -6.294 -2.508 -2.130 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 -30.305 1.386 -5.616 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 2.456 7.774 -20.826 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 4.449 4.314 3.754 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 9.851 -2.610 4.426 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 -1.977 -13.356 4.989 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 -7.724 0.830 -2.149 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 -13.107 6.414 -11.221 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 0.576 10.707 3.711 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 -1.224 -3.488 -1.086 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 2.253 -1.061 -3.425 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 1.428 -2.295 2.633 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 -4.323 -8.991 5.718 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 -1.510 -19.403 2.747 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 4.392 2.113 10.279 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 -1.442 -3.645 2.379 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 -0.529 -12.050 6.448 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 4.894 8.997 -18.940 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 -2.424 -2.235 1.689 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 -1.863 -1.446 5.560 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 -5.519 16.107 -0.154 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 -2.966 -10.357 -4.633 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 -3.564 -12.829 17.953 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 16.910 -9.246 9.979 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 -3.264 -8.401 5.742 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 -26.368 0.996 -6.212 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 -1.537 18.884 5.333 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 2.229 5.825 -1.599 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 12.600 29.064 5.392 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 7.418 7.937 6.681 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 -2.052 -5.836 0.580 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 -26.291 0.640 12.754 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 -7.149 -7.085 -0.655 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 1.148 2.384 4.175 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 13.054 12.672 -15.531 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 -9.005 -9.401 23.747 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 -3.473 3.727 -6.570 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 13.083 14.326 -8.479 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 -7.183 14.863 -3.852 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 0.974 1.209 0.772 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 21.084 -2.362 -29.063 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 -14.968 7.001 12.538 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 -3.410 -3.125 -0.729 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 13.131 -22.669 -1.224 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 5.584 -5.839 -9.025 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 -0.955 0.591 1.389 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 -2.102 -7.688 5.843 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 -1.134 0.231 1.796 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 -5.384 2.171 -2.439 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 -4.094 13.701 -2.241 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 2.479 -3.204 2.344 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 3.513 -2.513 -0.868 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 -18.200 -1.169 26.957 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 -14.236 0.141 27.425 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 -0.215 -3.997 -2.590 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 0.161 -8.533 2.437 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 0.129 -5.555 -2.855 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 2.223 -2.344 -3.159 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 3.350 -4.119 3.913 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 -0.349 7.851 -2.360 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 2.723 -2.822 1.873 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 5.654 -8.661 0.743 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 -5.978 11.048 4.621 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 -3.060 3.694 1.973 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 -12.318 -5.413 12.563 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 4.627 8.789 -5.098 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 1.833 4.101 -4.612 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 -19.446 1.676 11.193 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 25.189 -0.767 -14.475 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 -13.730 -0.078 7.432 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 -20.110 -0.338 4.367 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 -5.737 1.378 11.263 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 -6.697 4.158 0.838 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 -14.599 7.283 -4.342 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 0.813 4.924 -5.736 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 5.114 4.517 -2.822 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 -12.185 -8.741 -9.247 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 5.063 31.291 16.227 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 -0.573 -2.203 0.754 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 -2.610 4.669 -10.388 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 -1.838 -24.508 7.777 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 -2.660 -1.058 -0.406 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 7.345 -8.569 -11.491 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 3.611 9.421 7.600 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 -4.627 -1.040 4.117 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 0.763 19.940 -6.088 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 5.650 -9.487 3.955 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 1.216 3.173 2.195 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 -4.977 -0.619 0.590 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 5.572 0.661 3.045 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 2.249 4.179 -1.001 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 9.757 2.365 0.179 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 -9.310 1.110 -7.038 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 -5.285 1.028 2.349 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 6.504 -15.845 -45.837 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 -35.615 -0.394 -19.732 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 2.240 0.012 -4.963 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 0.674 -11.877 19.560 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 -21.740 14.223 -10.290 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 2.151 1.496 -2.417 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 10.099 6.913 -23.876 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 -3.346 -10.521 0.271 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 2.551 8.455 10.096 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 -0.950 -6.713 3.099 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 -4.798 4.533 10.311 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 -0.815 7.254 -0.989 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 18.162 8.430 18.636 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 -12.850 -2.303 -3.163 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 -0.943 0.616 -0.616 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 17.152 -6.326 -1.449 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 -11.462 -9.572 -0.868 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 -0.109 -2.977 -7.289 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 1.602 0.919 -15.390 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 -3.826 5.079 -0.620 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 5.157 8.496 -9.128 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 -7.334 6.764 17.803 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 -10.718 -23.361 -10.563 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 -4.796 2.692 -5.119 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 -6.026 23.005 7.681 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 -4.551 18.546 -1.855 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 -1.170 -0.288 6.035 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 0.766 -4.168 1.426 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 8.632 -7.284 0.744 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 8.459 -2.320 2.717 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 1.094 5.423 16.884 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 -11.427 20.646 34.761 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 -0.674 1.582 1.395 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 -2.399 -7.113 -6.141 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 7.997 -4.118 14.153 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 1.082 5.212 -2.995 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 -9.010 0.411 22.986 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 2.354 -0.995 6.515 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 -1.870 -3.200 3.212 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 6.756 15.527 -0.934 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 -13.274 0.394 -8.180 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 7.708 1.334 3.706 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 29.478 8.007 8.647 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 -9.158 -23.814 7.481 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 3.088 0.363 2.495 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 7.739 7.243 -5.133 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 -6.014 -6.177 6.456 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 -3.695 -2.804 0.521 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 11.181 -12.117 3.407 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 0.833 27.465 0.748 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 -1.745 0.448 -5.532 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 -5.003 -4.694 -30.985 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 28.880 11.464 9.690 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 0.468 2.887 -4.431 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 0.926 -16.931 -9.095 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 7.522 -5.984 5.506 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 1.576 3.317 0.238 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 -4.337 -6.823 -5.087 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 -19.343 -4.048 26.255 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 -2.381 -1.451 -7.559 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 -5.504 3.529 -3.976 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 -9.327 -3.950 -6.115 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 -6.319 0.542 -5.591 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 -1.592 -5.069 -24.557 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 -4.456 -1.180 -7.232 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 -1.230 -1.501 6.198 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 -1.228 -3.810 -6.796 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 -2.330 2.825 27.065 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 -0.054 5.171 -0.794 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 -12.267 -9.095 19.717 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 -32.443 7.583 10.987 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 -1.778 -1.283 -3.235 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 16.304 -17.639 9.005 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 2.386 16.680 -18.149 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 -4.101 2.142 0.945 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 41.122 17.029 -21.253 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 5.260 -1.071 -14.630 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 2.890 -2.698 2.670 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 14.537 -1.149 5.707 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 -2.726 -1.995 3.054 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 1.805 -6.452 -2.232 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 -2.765 -25.519 -3.973 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 -8.736 7.482 -8.533 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 -1.606 -5.358 -1.420 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 -11.776 18.350 14.245 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 -8.500 -26.245 1.948 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 2.997 -2.232 -6.134 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 0.285 -4.368 27.844 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 9.182 -1.292 -4.438 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 -6.956 -2.767 -4.415 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 -3.594 6.567 2.720 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 -16.236 -17.607 20.293 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 -2.545 -0.087 7.089 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 -0.254 18.048 2.682 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 -3.272 -10.891 9.589 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 -0.814 2.466 -0.009 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 5.700 -9.701 5.979 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 -4.114 6.018 -8.581 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 1.132 1.533 2.767 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 8.793 -1.904 5.175 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 -4.699 1.998 10.160 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 -2.073 5.208 1.024 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 -11.560 1.252 13.417 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 2.327 -2.068 -7.871 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 2.422 1.446 -0.561 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 6.806 9.609 -1.854 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 -5.187 -11.345 1.424 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 -4.333 -3.575 -0.571 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 -23.583 -18.691 -11.320 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 30.436 11.906 -12.148 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 6.577 -0.210 3.750 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 -0.916 2.815 15.628 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 8.020 1.127 4.221 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 -1.882 2.019 -3.112 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 -11.768 4.283 5.623 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 -0.391 9.680 4.805 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 3.134 -2.614 -4.174 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 -28.838 1.080 -6.216 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 7.164 -3.444 -3.389 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 -0.437 -0.091 -4.344 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 3.574 -2.512 -23.122 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 16.345 7.345 -0.898 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 0.622 2.759 2.956 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 -3.868 -3.226 22.489 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 3.408 -11.790 2.590 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 5.094 5.833 0.423 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 6.144 6.590 -18.914 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 -8.099 -6.347 7.370 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 3.744 -6.953 -4.590 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 -12.698 -0.854 -8.753 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 -9.088 -3.729 6.760 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 5.596 -8.215 -5.795 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 14.501 20.161 -17.201 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 -0.053 -23.947 0.266 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 -5.588 -3.156 2.491 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 -21.637 -0.991 -12.067 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 -28.172 -11.308 -8.677 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 -4.148 -0.798 5.979 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 -0.213 7.823 2.731 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 -19.318 -13.369 6.096 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 3.292 3.388 4.699 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 -2.272 8.020 1.629 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 -14.042 15.342 -3.178 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 -1.209 10.896 -7.033 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 -0.099 -2.658 -7.074 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 5.054 1.355 -7.970 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 1.921 1.164 -2.485 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 1.327 7.182 23.506 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 1.668 -24.129 -0.912 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 -0.380 6.037 0.413 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 4.188 8.528 9.692 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 9.028 -11.846 -6.567 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 -2.481 1.841 -1.193 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 -2.029 -4.208 -5.697 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 -1.499 -1.098 -5.371 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 1.183 -2.098 -5.503 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 -16.781 13.125 12.127 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 -4.197 -8.702 -7.266 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 7.463 -1.068 -2.545 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 11.305 -0.625 -30.427 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 -43.110 28.218 -7.515 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 -5.417 2.047 -1.039 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 -21.033 -9.606 -0.922 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 13.866 14.370 -5.331 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 3.744 5.401 -1.649 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 0.000 -4.948 2.052 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 -1.082 12.528 -2.193 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 2.886 -0.938 1.845 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 -1.856 0.573 3.306 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 2.722 -5.219 -1.003 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 -3.462 2.757 -7.993 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 -7.128 8.877 -23.308 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 -2.449 -0.573 0.629 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 -5.511 1.088 -5.305 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 1.057 3.403 -0.872 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 -5.243 -15.563 -14.575 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 -1.111 0.915 3.180 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 -4.477 -0.612 22.629 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 9.527 15.220 1.895 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 2.912 -5.803 -7.378 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 -7.950 -5.364 -18.214 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 0.228 -15.836 -11.431 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 3.743 3.105 0.201 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 16.635 6.691 2.101 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 -6.223 5.931 11.241 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 -1.395 -4.327 -7.639 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 13.500 -0.819 -1.398 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 -2.032 4.901 -19.054 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 1.401 3.362 -0.709 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 -2.250 -5.191 13.750 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 -17.017 12.525 -3.277 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 -1.661 -0.415 -5.986 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 -3.728 6.349 18.329 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 -18.887 0.721 -7.390 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 3.688 -2.805 3.239 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 0.307 -0.876 -0.405 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 -2.543 -6.883 -4.335 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 -3.901 2.783 3.223 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 -11.467 7.710 -12.889 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 10.865 0.542 -2.324 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 -1.167 -0.505 3.541 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 -14.609 2.971 -5.219 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 14.750 2.621 7.846 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 -10.247 1.105 3.750 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 6.203 -0.049 8.071 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 -17.923 -7.367 15.125 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 5.164 -0.876 -6.769 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 1.721 17.655 3.235 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 -0.790 27.796 3.319 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 -1.879 -6.122 4.840 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 -7.984 9.830 -0.455 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 -10.091 12.580 -22.522 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 2.692 0.718 1.332 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 -26.960 -6.639 18.066 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 -3.276 6.803 -30.609 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 -3.488 1.833 -0.004 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 3.315 -2.895 -4.025 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 -2.990 7.449 -4.293 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 5.479 -5.269 2.173 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 12.505 3.078 -2.829 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 1.781 0.339 8.124 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 0.968 -0.605 -0.741 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 0.366 -1.720 -0.351 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 1.018 1.236 -0.374 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 2.548 0.476 3.111 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 -6.605 19.298 -0.714 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 -0.541 -18.927 20.248 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 -0.159 -0.578 -0.505 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 8.759 -3.170 4.454 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 6.996 -5.871 6.376 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 -0.050 2.764 2.170 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 2.920 5.542 4.272 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 6.749 -8.836 -6.504 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 1.936 4.041 -6.305 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 -22.520 -16.053 -6.663 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 18.729 21.718 4.426 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 -6.092 1.991 -2.084 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 -7.278 1.804 -7.770 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 -8.409 3.551 -3.186 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 0.130 2.996 -0.354 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 10.993 20.094 -3.093 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 -11.027 -18.067 6.460 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 8.608 6.981 -5.554 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 16.708 3.479 -2.151 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 16.252 -24.463 -17.061 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 -1.493 -2.240 6.401 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 10.738 -0.813 -0.945 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 13.148 -0.809 16.746 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 2.499 -3.618 -0.865 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 0.056 -2.761 3.806 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 0.923 -0.548 -20.326 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 3.092 -2.966 -5.920 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 -28.517 -1.011 19.231 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 -19.405 -23.636 -6.810 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 -3.584 3.728 3.782 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 13.209 14.593 20.230 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 3.857 -5.711 -11.438 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 3.304 0.950 -0.829 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 5.079 3.002 -0.233 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 4.565 -3.923 -1.189 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 -1.078 -5.532 -0.619 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 -1.241 -5.543 -0.219 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 -1.404 -1.020 3.251 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 5.467 0.160 -0.849 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 0.333 4.477 12.071 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 11.681 -22.393 -7.558 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 0.785 -7.741 -2.819 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 14.959 -7.230 -5.849 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 -0.214 -7.248 -2.961 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 -6.184 -2.763 2.980 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 -1.816 3.546 -10.302 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 -4.597 -8.497 19.835 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 4.589 1.351 -2.837 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 -11.924 4.428 16.791 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 -5.572 0.177 13.602 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 3.532 -1.067 -4.147 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 27.586 0.890 8.320 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 -4.886 2.997 -13.615 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 5.087 -3.514 2.432 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 -15.245 -0.595 19.134 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 2.661 7.066 17.976 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 -3.672 -1.845 -3.111 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 5.379 -8.501 -5.907 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 4.407 16.790 -1.203 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 0.414 1.456 1.716 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 -0.474 1.308 1.510 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 -18.724 2.782 -0.290 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 1.370 -8.088 -1.357 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 15.648 -9.267 7.698 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 -12.530 3.684 -2.292 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 -3.014 3.133 4.339 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 10.124 -3.934 -9.185 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 3.050 15.358 3.172 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 2.914 2.357 3.693 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 -26.076 1.511 8.513 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 3.726 6.608 -1.230 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 -1.952 -0.437 -11.928 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 18.150 0.647 5.971 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 -21.018 14.901 -3.209 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 2.068 6.837 -0.657 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 -9.412 -5.908 -4.116 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 4.783 3.025 18.572 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 -3.285 7.802 -2.310 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 -9.106 21.720 8.556 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 -16.009 -5.767 -8.707 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 -2.315 -2.649 -3.634 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 9.030 13.460 -0.314 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 -7.515 -11.849 -4.390 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 2.832 -0.885 -7.310 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 3.745 -2.651 -16.323 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 -18.896 -9.428 -12.670 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 1.991 4.694 -5.595 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 7.381 0.038 -10.809 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 -6.818 -0.660 -11.982 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 -2.266 -1.025 -0.921 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 0.456 -13.314 0.956 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 -7.573 4.830 -8.074 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 0.294 -0.130 7.966 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 -12.728 1.924 18.220 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 19.799 5.814 3.699 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 -1.348 -4.317 -3.516 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 -12.975 5.969 14.433 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 -0.549 -2.775 -9.656 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 0.136 8.679 4.313 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 -1.856 42.389 1.769 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 -1.075 13.469 5.334 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 3.332 -2.568 1.006 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 -5.973 2.370 28.283 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 11.255 -31.466 -0.267 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 5.551 -0.234 3.924 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 -23.166 -4.563 -31.311 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 4.516 -5.538 6.946 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 -1.954 -1.555 -1.346 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 -23.846 7.495 14.835 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 -15.012 -6.097 -3.846 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 0.668 0.588 5.063 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 -2.314 -4.269 -4.149 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 -16.268 -26.379 -49.180 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 1.839 6.578 4.983 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 13.405 15.614 15.582 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 3.353 11.390 1.519 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 -1.106 -0.067 -1.855 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 6.043 -13.745 8.244 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 -20.415 -17.447 -17.090 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 -5.577 2.002 4.503 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 5.782 -6.235 21.515 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 -8.341 18.974 17.385 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 3.540 -1.815 -5.801 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 -29.239 -3.965 -6.585 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 -12.187 -4.449 -9.509 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 7.891 -3.913 3.520 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 5.449 11.596 -17.121 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 -12.009 -6.837 -7.344 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 3.516 1.586 3.949 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 -1.771 8.510 8.460 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 0.031 -6.611 -10.232 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 0.196 0.715 -2.420 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 13.703 23.042 -14.820 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 -3.822 -2.935 -0.141 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 6.356 8.651 3.352 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 9.339 10.415 1.012 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 6.654 8.306 4.855 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 2.663 -0.015 -3.234 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 1.760 -1.446 -3.704 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 -16.907 8.335 6.379 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 -2.385 3.143 2.591 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 -5.227 -14.520 -1.069 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 4.845 11.368 4.912 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 1.624 -3.736 2.461 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 6.462 -4.473 -3.898 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 7.265 -4.157 8.106 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 3.270 -2.801 0.393 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 7.238 -2.035 0.613 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 -7.100 -4.021 -9.300 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 -8.780 -4.227 0.345 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 -9.782 7.798 -10.670 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 -12.251 -14.060 0.848 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 -3.757 -4.464 -6.204 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 -1.519 -11.237 -10.509 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 -6.989 -6.473 -5.767 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 1.912 -5.508 -1.465 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 5.625 -12.407 21.952 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 20.138 -10.789 -12.527 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 6.333 1.419 2.919 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 -0.287 -8.182 -6.814 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 -5.361 -3.864 26.639 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 3.562 -1.933 -8.161 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 5.585 -1.389 -8.535 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 -15.008 -25.790 6.145 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 3.385 -1.716 -4.574 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 -0.895 -11.586 -9.657 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 -2.530 -8.780 6.265 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 -2.675 1.780 0.389 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 -14.271 22.109 -4.463 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 9.589 14.272 16.913 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 -0.894 2.081 3.509 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 -8.717 4.927 8.922 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 -2.347 5.957 4.836 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 -3.074 -6.374 -0.753 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 14.270 8.603 15.408 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 0.168 -5.817 -12.353 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 -5.333 -13.986 -4.376 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 -2.982 17.313 1.630 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 -18.525 -19.777 11.621 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 7.207 -1.609 -1.253 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 -8.269 2.310 -2.020 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 27.735 -1.451 -16.895 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 6.550 3.527 -0.255 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 8.315 8.853 -5.353 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 -4.957 -4.457 12.242 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 4.610 -0.947 6.075 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 -8.103 -11.388 7.906 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 5.571 3.113 -0.573 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 -0.716 0.566 -3.830 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 5.543 -13.194 -2.142 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 -5.093 -4.990 -4.793 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 4.219 0.031 -2.545 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 -15.281 -18.806 -22.105 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 16.353 14.080 4.002 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 -2.327 4.975 -2.920 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 -4.838 -1.562 -0.901 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 -0.526 -1.491 -2.854 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 -1.325 0.479 1.228 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 -3.568 3.118 -2.247 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 -12.861 -5.628 -13.274 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 -0.837 -2.376 -5.218 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 13.326 21.056 -1.411 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 13.287 -16.843 -13.770 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 5.595 0.909 -2.004 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 10.276 -16.220 -11.643 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 8.761 2.498 15.290 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 -0.330 0.025 4.007 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 0.269 -2.531 17.211 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 -0.122 4.048 7.963 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 -5.072 -4.827 0.190 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 2.827 -8.731 -0.467 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 -8.150 -6.686 -0.845 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 -4.186 -3.454 3.342 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 -16.648 -18.357 2.460 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 21.821 8.798 6.739 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 3.382 -4.372 -0.265 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 -29.681 -4.174 31.417 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 4.022 -14.882 7.596 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 2.189 -2.004 -4.556 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 -3.451 -1.447 7.918 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 4.791 0.795 16.340 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 1.892 7.078 -10.097 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 19.673 -17.939 5.204 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 -4.550 -0.749 -4.647 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 -1.327 10.516 -0.631 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 3.722 -4.217 5.744 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 15.106 9.700 -0.078 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 10.610 3.552 -3.756 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 12.128 -5.022 2.232 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 3.119 0.104 -10.259 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 6.196 2.387 3.276 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 1.712 -1.391 11.308 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 13.636 -3.350 -0.976 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 5.351 4.661 -6.339 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 5.768 6.321 0.432 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 3.388 4.650 -1.792 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 2.376 -2.682 2.374 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 -7.405 25.703 22.872 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 0.530 1.475 -10.816 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 2.524 -1.663 -5.600 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 7.782 -4.810 -9.283 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 3.271 -5.392 -0.404 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 -0.807 0.272 -1.889 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 20.860 -5.527 1.324 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 -3.858 -36.029 3.883 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 6.535 2.099 -4.673 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 4.500 -14.965 -22.439 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 -12.325 -3.117 -21.008 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 0.255 0.601 1.553 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 -3.307 11.292 9.621 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 0.562 1.115 -15.566 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 0.328 -4.773 3.640 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 -2.895 -6.443 -5.323 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 8.448 -8.661 14.188 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 4.869 -0.770 -0.723 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 -5.326 -9.096 11.533 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 15.190 -14.039 -18.406 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 -4.285 -0.754 -2.969 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 -7.608 19.667 -16.399 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 9.265 -0.489 8.326 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 0.160 -4.536 0.662 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 2.946 -7.129 -12.712 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 3.185 -6.935 -11.272 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 -2.946 4.198 -5.271 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 -7.347 0.728 -9.475 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 13.148 10.881 7.985 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 5.460 -0.162 -0.788 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 5.384 -10.850 -7.474 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 -3.979 -9.348 -2.610 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 -1.145 2.146 0.069 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 15.234 8.413 -2.836 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 -10.290 -7.863 -10.109 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 5.228 -2.233 3.047 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 -14.053 -7.454 -11.054 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 -1.714 -23.614 -2.091 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 4.291 -0.437 3.802 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 -1.776 10.182 10.007 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 -1.848 -16.080 7.501 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 0.629 5.426 1.187 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 -0.231 -0.298 3.702 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 1.101 14.161 -3.169 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 -0.426 0.322 0.860 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 1.377 4.813 -4.072 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 -2.666 5.147 6.309 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 6.666 9.246 0.278 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 3.156 -10.472 8.795 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 9.591 18.290 10.172 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 2.403 -0.774 1.923 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 14.171 7.814 40.163 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 19.681 -0.876 9.428 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 4.970 -6.504 5.553 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 7.296 -8.758 1.160 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 -2.268 3.456 3.331 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 -1.370 2.410 -6.025 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 14.712 -9.870 -0.336 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 -14.504 -2.332 3.289 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 -4.343 -1.928 -2.879 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 -1.950 15.027 -12.511 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 5.529 -0.712 13.292 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 -3.120 -4.781 -2.453 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 6.169 3.784 3.096 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 -0.606 -0.276 4.968 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 6.347 -4.436 2.071 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 -7.126 -17.054 5.809 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 16.218 5.172 3.033 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 3.588 4.040 4.494 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 31.432 9.393 13.038 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 -5.769 4.099 -0.200 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 -1.689 -5.193 -3.448 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 -12.374 2.412 7.923 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 13.240 4.744 -3.012 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 -4.182 4.167 3.495 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 -4.448 5.468 4.299 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 2.447 0.628 -3.620 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 1.536 -2.336 0.978 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 -0.648 9.231 5.454 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 -19.400 -23.186 -21.775 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 -2.423 3.487 -3.364 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 -24.614 1.766 8.425 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 18.357 12.881 -9.636 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 -1.763 -2.729 1.059 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 6.656 4.346 18.121 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 0.151 15.795 -11.677 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 -0.008 -8.214 -0.719 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 8.569 8.447 1.391 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 -1.499 9.908 -22.702 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 -4.709 -0.145 -1.032 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 -16.135 10.644 -0.356 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 0.390 -6.205 -9.241 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 -0.493 -5.165 1.672 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 0.849 -28.927 -4.724 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 -9.797 -0.177 1.688 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 -11.079 5.521 0.567 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 0.794 23.528 -26.533 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 -6.290 6.318 16.609 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 4.559 -0.020 -5.074 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 18.565 -21.184 -10.471 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 -16.560 -7.027 -15.852 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 -0.353 -4.350 -1.046 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 -3.204 -6.285 2.960 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 13.939 25.273 11.388 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 -0.224 7.882 1.051 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 -2.022 4.455 -14.547 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 -5.400 4.130 -23.779 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 -3.500 2.278 3.105 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 -8.029 -5.954 13.812 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 28.552 4.692 7.586 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 -5.509 4.875 2.455 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 -11.999 18.764 8.986 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 -3.418 18.946 -13.624 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 -2.487 -0.599 -0.932 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 -6.497 -1.105 -2.682 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 -1.221 -5.841 -8.162 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 -0.934 -5.884 2.429 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 28.896 21.000 19.418 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 0.292 -9.531 7.350 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 2.285 7.293 -0.101 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 -5.310 -1.356 -3.304 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 -4.363 10.082 -10.672 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 7.863 -0.911 -3.991 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 16.707 6.495 28.855 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 26.724 19.383 -26.486 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 1.213 -1.064 0.428 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 8.928 -21.813 12.566 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 9.172 -10.807 -14.262 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 -2.354 5.032 5.689 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 -1.300 -0.626 5.733 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 -1.964 7.154 -4.045 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 -1.072 -1.931 -1.356 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 -6.540 1.612 -1.512 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 2.530 1.392 2.059 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 2.298 -2.311 6.167 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 -2.701 4.753 8.755 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 15.782 -15.993 -3.873 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 7.651 -0.897 0.466 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 -3.786 -15.252 13.134 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 12.084 3.129 -4.253 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 -1.279 -4.049 -2.035 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 31.124 14.209 13.715 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 10.831 29.197 10.992 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 0.695 0.138 3.938 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 8.590 14.259 3.406 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 4.845 18.305 -1.562 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 -3.607 5.506 4.667 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 -5.450 -11.608 -27.269 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 -2.874 -2.578 7.179 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 2.449 -3.260 -2.505 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 -5.556 1.294 6.352 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 15.257 -12.243 -10.289 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 -1.443 -2.178 -2.781 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 12.766 -4.954 -2.844 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 -15.622 -0.785 4.889 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 4.599 1.195 0.491 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 4.242 -3.773 8.629 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 -3.057 -22.487 2.757 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 7.324 0.139 3.319 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 4.055 -6.065 3.633 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 12.985 13.901 2.768 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 0.190 0.126 -3.212 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 1.214 0.753 -4.055 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 -12.365 11.684 -11.021 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 -1.065 4.010 2.263 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 3.945 6.785 1.073 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 -16.290 -0.791 6.138 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 -6.030 -0.256 1.284 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 -2.927 -7.942 -3.117 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 -0.223 13.421 0.969 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 5.903 -0.331 -2.256 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 -6.167 -11.713 -4.007 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 6.877 0.857 12.244 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 -0.844 -3.254 1.195 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 -10.425 -8.366 -2.476 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 4.613 -12.289 -3.810 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 -3.578 2.955 -2.451 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 -4.879 -1.647 0.636 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 3.918 -3.967 4.085 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 -9.719 -4.059 1.453 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 -2.707 -7.806 -3.413 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 -16.101 6.934 4.636 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 1.366 -4.653 9.460 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 -10.192 10.832 13.297 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 -20.954 -0.114 -7.986 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 -2.510 -3.031 -1.126 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 6.824 -25.220 -5.679 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 -11.853 19.331 7.448 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 -4.773 -1.122 -1.676 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 -10.005 10.257 -2.705 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 14.295 -21.981 0.447 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 -4.113 5.418 -5.925 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 2.867 11.959 12.798 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 12.023 4.382 -13.598 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 3.439 4.912 2.486 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 -4.342 2.981 2.853 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 23.084 10.567 0.166 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 -5.214 -4.215 2.660 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 6.315 2.893 15.574 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 -8.268 3.779 -6.288 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 2.139 -7.674 0.946 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 -4.027 21.769 -3.727 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 -7.675 -9.914 -5.243 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 1.603 -5.065 0.593 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 -14.014 14.623 -36.252 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 -1.206 -13.659 -13.228 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 -3.166 -0.170 -1.959 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 -6.522 -5.050 4.943 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 -6.636 -4.687 -10.747 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 -3.108 -8.128 2.174 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 -2.975 -1.331 -1.641 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 3.868 -20.824 7.129 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 1.279 -1.284 4.496 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 -3.496 -13.398 6.432 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 -9.389 7.001 8.642 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 -3.274 9.438 -0.517 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 -8.533 -16.917 -5.942 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 -5.567 12.641 -11.025 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 5.365 -3.559 -1.325 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 1.273 -10.423 -12.860 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 -18.435 -39.625 -15.753 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 -1.919 1.602 -0.557 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 4.034 -9.028 -6.892 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 6.494 17.036 -4.492 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 -0.464 1.990 -2.195 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 -1.947 10.457 -10.955 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 2.433 4.560 -16.990 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 0.387 5.901 -3.556 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 6.853 8.362 19.965 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 1.750 7.776 -2.726 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 1.138 0.196 -6.464 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 3.688 -8.725 4.852 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 15.389 13.139 -7.608 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 -1.571 -1.466 1.795 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 -2.959 -2.858 -6.178 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 -1.422 -9.777 -0.166 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 1.394 1.448 0.569 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 2.990 3.202 1.204 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 1.603 -5.895 -3.525 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 0.492 -0.215 0.258 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 -3.179 -2.657 6.613 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 8.575 1.063 -1.311 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 -3.337 -1.730 -6.324 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 -13.942 9.739 -4.532 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 7.302 -3.556 6.429 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 5.165 5.400 2.997 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 6.129 0.964 -3.468 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 0.705 8.789 13.806 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 1.294 -4.386 -5.080 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 -1.853 -1.067 -28.288 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 2.682 -13.580 -14.501 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 6.433 0.523 0.580 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 5.598 -10.578 2.326 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 5.714 1.935 -9.979 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 1.051 2.777 -3.447 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 6.812 -4.559 -4.710 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 -6.336 16.657 25.275 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 6.332 -0.008 -1.334 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 18.790 -14.937 -5.243 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 -18.371 -9.081 -8.246 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 1.059 5.843 0.175 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 5.203 1.374 6.600 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 -19.457 15.760 -23.715 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 -2.916 -1.592 -4.511 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 -13.718 -9.164 -10.296 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 -5.635 2.244 12.013 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 0.960 0.525 -2.201 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 8.229 9.497 -12.900 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 6.850 -7.139 8.736 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 -5.112 5.796 -4.892 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 -9.689 8.431 -0.319 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 -15.441 12.316 5.122 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 4.610 -2.990 6.251 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 -12.174 0.455 13.191 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 21.052 -6.133 1.826 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 0.509 1.016 1.751 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 -0.245 4.777 -5.444 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 -6.238 1.611 4.694 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 -6.020 -0.555 10.479 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 10.923 -0.090 -26.739 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 5.979 22.332 -0.483 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 0.516 -2.027 -5.705 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 2.096 4.574 -3.809 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 -2.009 -10.177 -10.301 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 6.579 3.760 0.790 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 -5.497 -1.498 -10.332 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 0.729 2.038 -5.300 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 3.608 1.562 0.753 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 -0.483 -3.005 2.337 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 1.711 6.381 -0.316 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 -0.154 4.043 1.797 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 -6.962 14.316 -13.315 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 5.390 2.578 2.541 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 1.631 4.540 -0.103 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 -5.323 12.018 4.348 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 9.491 8.540 -17.835 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 -8.760 -5.863 -4.507 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 -10.248 -8.829 -6.888 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 -5.544 -10.034 -2.046 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 -1.258 1.955 3.073 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 10.520 -6.953 -2.097 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 9.635 -10.225 -14.550 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 0.575 -3.402 -2.857 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 -3.065 -10.344 -14.968 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 9.448 18.149 29.500 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 -5.210 5.731 -0.595 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 -1.331 1.476 14.401 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 -4.479 -23.071 -6.016 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 -1.571 -6.906 0.352 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 3.013 -10.169 14.045 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 0.628 -18.882 -8.896 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 3.063 3.121 2.139 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 -34.122 7.822 -15.595 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 -8.981 0.867 -10.593 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 0.895 -1.261 -4.692 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 -1.483 7.473 -0.790 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 11.805 0.326 -4.965 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 5.908 -0.764 -3.047 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 16.797 33.280 21.406 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 19.086 8.498 11.048 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 2.723 -3.949 -0.002 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 4.019 0.054 -5.970 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 12.969 -35.199 -10.274 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 2.812 0.657 -2.465 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 -8.956 9.599 0.545 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 2.232 -12.445 8.509 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 2.596 2.241 -0.537 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 15.866 2.600 -7.817 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 13.576 -10.798 4.379 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 -7.173 5.151 -3.662 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 -19.250 27.733 -14.017 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 -7.739 3.143 3.498 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 -1.275 4.736 0.155 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 -15.926 -6.639 2.438 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 5.240 11.824 -10.399 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 -3.293 -4.009 -0.880 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 -6.353 4.277 0.027 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 2.976 2.679 -11.062 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 2.838 4.831 1.296 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 5.508 17.080 -6.204 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 -0.028 -6.041 9.304 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 -0.775 3.848 -5.665 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 -24.034 9.507 0.172 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 -7.564 -32.175 2.855 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 1.354 -0.243 7.053 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 13.985 31.651 -10.269 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 -30.999 4.662 -9.762 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 4.533 4.137 0.664 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 -1.785 -4.967 7.572 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 0.191 12.945 5.863 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 3.646 2.324 -0.197 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 5.138 13.767 -2.441 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 10.089 34.358 -26.151 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 4.737 -8.726 2.223 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 35.254 -15.237 11.139 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 -34.993 13.019 -9.725 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 -0.971 1.420 4.628 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 8.627 -23.130 -11.257 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 -14.836 13.531 -4.160 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 -4.926 2.932 1.821 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 -9.557 1.299 3.597 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 -14.480 -22.966 5.654 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 6.140 5.497 -1.986 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 25.717 17.981 -0.853 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 -0.856 1.135 -11.636 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 -0.418 1.721 -0.524 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 -1.280 -14.622 -3.309 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 1.840 4.658 1.919 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 5.239 -0.471 -2.127 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 6.400 4.654 3.531 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 -14.198 2.284 -8.171 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 -6.003 -0.538 -1.228 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 7.990 -0.087 5.271 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 -11.371 12.587 2.395 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 -3.675 10.053 0.302 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 3.158 -11.408 20.514 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 21.628 18.577 -11.487 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 4.921 3.989 -1.064 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 16.533 -0.705 16.793 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 14.750 -4.273 3.922 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 -1.725 -6.690 1.839 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 -13.184 -2.326 14.745 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 1.744 -24.660 1.734 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 -2.125 1.347 6.192 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 7.164 -19.579 -16.978 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 -21.309 -2.755 22.276 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 -0.404 -8.086 0.161 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 -5.638 7.732 -5.499 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 -5.376 -3.699 9.531 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 -4.173 -4.425 -9.590 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 1.794 9.737 -8.151 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 11.459 14.162 -5.023 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 -2.162 9.661 -4.805 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 -8.655 -0.847 -7.080 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 10.542 14.123 0.124 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 -3.344 0.134 -1.776 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 16.384 -9.069 -3.141 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 6.871 0.014 -1.274 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 -4.603 0.412 6.065 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 -6.083 -1.766 6.871 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 -0.858 3.694 4.422 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 0.428 1.907 -4.569 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 5.639 -4.596 -29.670 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 -18.427 5.370 11.406 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 11.643 -0.247 -0.240 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 10.081 -3.729 5.199 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 -4.392 -1.321 -2.883 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 3.494 1.709 -0.411 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 -10.393 9.552 4.250 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 21.806 2.498 2.302 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 1.171 -2.042 -7.366 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 2.438 -1.515 -7.606 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 1.139 -2.199 -7.714 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 -4.069 1.652 -1.974 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 8.913 13.636 27.371 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 6.163 2.949 6.359 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 -1.983 1.984 2.532 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 -22.461 9.600 0.982 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 -11.117 -15.674 12.101 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 -1.205 2.069 8.288 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 -10.482 10.186 26.897 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 -23.093 -11.227 13.025 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 3.117 -5.654 5.949 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 6.118 -10.771 3.643 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 6.463 8.485 1.131 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 3.005 2.646 2.707 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 27.482 -11.128 31.388 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 -24.684 -5.795 -13.096 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 -0.525 3.150 3.239 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 -2.248 -9.586 -5.814 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 1.128 4.199 7.249 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 3.710 1.836 -3.704 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 8.222 17.818 -7.928 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 -14.442 1.465 -1.092 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 4.769 -3.926 9.438 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 -5.066 1.949 -8.500 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 14.912 -6.487 6.303 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 -1.174 -0.379 1.324 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 -2.508 -0.390 15.408 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 -0.383 1.239 15.484 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 -2.590 2.350 2.705 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 -1.558 3.208 27.939 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 21.925 -1.087 -13.048 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 -3.420 -11.831 -6.870 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 -13.636 -4.275 -4.401 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 -9.900 -15.275 -5.980 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 -0.554 -1.998 2.074 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 2.408 1.134 4.479 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 19.124 -6.304 9.443 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 -4.015 3.114 -0.707 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 2.139 -0.250 -15.238 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 12.359 -16.607 -14.278 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 2.808 1.319 0.679 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 6.062 -5.843 -16.429 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 1.984 0.696 1.549 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 4.657 -0.711 -4.706 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 11.475 6.749 3.935 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 6.867 3.465 -0.780 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 -2.516 4.223 -11.467 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 -8.545 -6.876 -6.478 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 8.873 4.911 -4.515 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 8.784 4.505 -0.476 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 0.789 -0.794 10.172 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 4.274 -0.430 0.491 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 -3.329 3.201 -0.653 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 3.824 6.899 14.361 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 -22.588 9.085 2.020 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 -0.324 9.087 -3.151 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 0.181 8.005 9.000 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 8.772 2.927 -16.319 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 -0.757 0.362 -2.789 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 -6.411 -9.456 22.022 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 2.242 -10.273 2.769 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 5.065 -4.221 3.503 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 8.034 -9.508 -13.350 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 -1.855 -2.946 17.347 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 1.368 -6.969 -8.141 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 21.308 -9.338 -2.211 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 -16.779 4.426 0.338 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 6.116 1.469 -0.182 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 -14.860 -9.050 4.774 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 -9.771 -13.533 -2.819 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 -0.087 2.375 1.081 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 7.432 13.830 1.832 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 4.843 7.920 -5.328 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 5.940 -0.213 6.210 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 -7.543 -2.139 27.874 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 4.551 -4.005 1.236 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 0.813 0.724 3.969 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 -3.158 2.468 -10.840 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 -8.597 23.740 1.736 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 -1.014 9.829 -0.773 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 -4.706 14.683 -5.191 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 -2.362 20.167 5.821 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 -2.040 1.758 -0.444 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 -3.492 10.779 -1.517 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 -7.974 -4.285 -5.232 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 -0.988 3.204 -7.150 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 -4.780 2.903 -8.898 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 5.934 37.789 -28.458 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 -1.854 4.483 -9.724 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 10.613 -5.920 8.402 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 -24.882 30.138 -3.188 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 -4.596 3.725 -1.181 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 4.491 -9.387 8.832 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 -14.730 0.148 6.741 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 2.940 2.120 -2.432 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 -0.149 -0.565 -2.938 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 3.877 7.544 -1.957 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 3.234 -3.902 -4.170 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 -6.949 7.444 4.586 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 -5.834 -6.730 12.937 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 0.914 7.213 4.341 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 0.452 22.647 -17.024 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 7.276 -16.836 10.079 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 2.729 -1.331 6.372 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 11.671 -27.718 -1.916 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 0.652 16.265 6.820 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 0.454 0.895 0.148 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 -2.358 -4.313 -3.283 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 1.293 -0.977 -3.130 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 2.039 -9.022 -2.049 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 -7.775 -4.941 24.074 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 3.363 -11.041 7.598 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 1.942 -2.086 0.003 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 1.207 1.786 -4.042 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 -10.883 -19.746 0.691 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 -2.857 -5.627 -2.807 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 -5.782 2.950 2.851 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 -4.947 16.366 24.296 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 -3.403 -8.663 -9.688 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 -8.786 -16.619 -3.313 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 -5.048 3.056 -5.513 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 1.924 -2.661 -0.958 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 -3.506 -13.916 19.806 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 6.408 -1.288 -8.626 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 2.565 2.011 1.569 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 2.361 3.818 1.768 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 -3.595 0.621 -9.774 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 5.065 -1.460 0.393 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 -6.408 11.787 15.046 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 12.910 -11.605 8.948 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 -1.047 -0.554 8.485 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 0.870 -0.218 7.389 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 -1.749 1.511 3.841 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 3.028 -2.168 8.697 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 0.388 3.062 8.217 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 2.654 7.496 -2.681 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 -1.484 -2.771 -8.575 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 15.995 -0.922 -11.773 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 10.334 12.070 -3.294 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 6.301 4.736 1.802 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 -19.205 4.497 -24.651 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 12.221 38.728 5.310 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 -1.360 -3.598 3.406 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 0.305 14.419 -4.793 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 17.057 -1.890 10.607 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 1.463 -3.205 -5.489 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 -3.382 3.099 -4.967 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 -8.811 -12.144 12.925 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 2.225 4.974 3.507 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 -35.820 12.568 6.007 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 -14.649 10.757 -3.242 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 -7.664 -2.432 -0.967 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 7.957 4.296 2.482 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 2.176 -4.421 -12.035 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 -4.190 -4.864 0.810 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 -18.208 0.144 6.530 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 11.831 -6.062 -4.039 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 -1.060 -2.285 -2.970 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 -7.112 7.754 1.111 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 -7.183 -0.481 -4.890 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 1.747 -0.272 1.668 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 13.937 -0.218 -0.148 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 -31.601 -6.633 5.406 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 2.903 2.279 4.499 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 -9.122 11.293 -13.874 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 4.801 -0.814 10.696 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 -0.019 -5.154 4.800 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 -9.603 -2.152 1.917 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 1.025 -3.382 2.612 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 2.629 -2.879 -6.336 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 7.520 1.234 -6.524 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 -21.100 3.058 11.584 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 4.457 -2.914 -1.362 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 14.987 3.746 5.366 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 -27.323 -25.197 -23.659 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 4.302 -4.437 -3.026 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 -6.321 -14.530 17.020 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 21.734 11.445 -0.705 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 1.116 2.611 3.383 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 8.908 0.943 -5.526 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 7.008 -0.713 11.516 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 7.568 -0.194 -1.828 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 5.102 -3.663 -2.337 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 6.389 -3.719 3.738 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 -1.795 4.416 2.875 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 5.617 -3.032 8.102 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 -0.715 17.047 -3.263 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 -1.801 4.041 7.035 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 -19.518 27.145 -2.233 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 -10.786 0.855 9.246 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 1.796 -4.690 -3.769 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 -12.823 2.835 10.857 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 -16.309 7.427 16.859 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 -6.200 2.743 6.540 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 -33.711 4.105 -32.886 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 -1.995 -2.626 17.266 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 1.420 1.265 -5.805 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 -1.766 4.192 3.496 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 -25.718 5.012 4.075 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 -3.603 -0.128 3.731 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 -1.613 -29.811 -21.157 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 -2.652 27.574 24.657 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 1.376 1.163 -4.422 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 -27.472 6.851 18.354 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 15.359 20.099 -14.179 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 4.000 -3.230 4.757 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 7.387 17.177 -13.621 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 7.935 18.992 -16.665 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 5.564 2.709 -3.001 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 7.840 -7.564 -5.369 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 7.830 2.083 9.195 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 3.479 -1.876 -0.916 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 7.451 -2.217 -4.866 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 -7.731 25.680 -19.952 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 6.168 6.150 -2.701 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 -18.593 -5.231 0.848 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 22.487 -13.872 -12.369 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 5.039 5.638 0.668 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 8.425 9.453 7.916 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 -1.487 11.797 -0.943 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 2.669 0.360 -3.487 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 -4.889 2.617 -21.658 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 10.506 -2.106 12.760 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 -1.952 6.103 0.874 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 1.387 8.209 13.440 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 10.266 4.321 -12.790 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 1.946 0.274 1.299 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 -16.661 10.353 -2.662 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 -4.636 12.216 9.329 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 -3.052 2.605 -3.352 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 -13.889 15.590 5.737 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 -14.560 -29.324 7.915 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 -5.064 4.518 -1.672 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 22.691 11.184 -5.169 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 4.664 6.882 6.110 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 2.009 0.869 0.377 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 -12.542 17.450 -0.218 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 -3.180 2.561 15.872 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 0.938 -9.503 -2.264 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 -0.375 1.040 -7.212 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 6.024 -9.075 0.106 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 -2.310 -8.488 -2.721 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 14.448 -20.056 -9.383 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 -9.655 -20.818 -21.820 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 9.993 0.812 3.660 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 -2.953 -4.771 12.169 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 2.824 -2.642 -17.589 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 -5.730 -0.668 -1.351 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 -12.850 19.498 28.141 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 9.170 2.174 15.511 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 0.300 -7.253 1.655 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 -3.130 13.750 -19.663 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 -3.581 2.824 -6.654 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 -0.658 1.630 5.164 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 -5.046 6.885 7.072 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 13.798 -4.003 0.105 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 -2.325 3.561 -2.519 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 -5.003 10.043 8.707 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 11.396 10.813 -21.834 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 6.876 -3.128 -2.860 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 24.254 8.697 -7.839 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 0.848 4.247 -5.147 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 2.472 -0.187 0.240 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 5.999 -2.468 6.970 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 25.632 6.767 12.831 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 3.420 -3.714 -4.785 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 -0.080 -17.448 -3.588 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 8.239 2.471 13.597 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 3.885 0.614 2.104 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 -3.426 -2.661 -6.673 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 29.845 -7.974 -13.085 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 6.668 2.705 -6.145 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 7.963 13.638 -13.847 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 4.941 -11.716 8.855 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 -1.725 0.747 -4.714 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 -3.909 11.297 6.193 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 -7.829 7.375 -16.234 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 -6.672 -5.965 12.827 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 -9.491 -14.873 -11.734 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 1.224 18.372 28.369 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -10.087 -6.036 -0.314 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 -10.502 2.117 13.383 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 -12.274 4.603 1.899 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 -1.417 3.028 -0.243 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 1.989 -4.455 -5.769 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 -4.352 10.133 2.819 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 -0.912 -2.473 -4.850 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 9.473 23.375 3.476 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 -1.705 4.262 -3.463 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 -2.721 -1.851 -1.207 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 -1.966 -9.969 6.202 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 13.640 4.887 -8.625 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 -3.209 3.967 7.404 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 -2.292 0.745 18.162 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 -8.483 -5.864 -0.116 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 7.995 -0.160 -1.032 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 16.207 13.303 2.216 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 -4.975 18.140 12.747 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 -3.238 -7.191 7.265 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 -9.261 -4.689 13.530 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 1.292 7.811 1.394 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 -1.392 4.239 6.846 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 4.367 -10.539 -2.428 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 -25.317 9.801 -2.748 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 2.666 -6.624 -7.380 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 9.199 -22.566 12.165 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 1.582 32.137 8.779 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 1.190 -3.004 -0.458 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 1.182 3.344 -10.989 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 10.141 8.209 5.835 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 -5.313 -7.329 -4.612 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 0.919 -2.461 -9.191 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 -11.848 -5.624 -3.240 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 -5.065 8.487 -1.268 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 3.565 0.074 2.645 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 16.525 35.536 4.050 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 5.084 -7.005 4.049 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 -3.496 -14.750 -11.907 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 14.280 -3.205 -6.979 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 3.829 7.355 4.328 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 20.322 -11.723 14.174 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 0.933 -2.104 -2.774 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 -8.470 4.554 2.982 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 11.371 9.808 -5.170 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 -15.253 6.454 10.315 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 -0.394 -1.008 8.080 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 38.851 19.526 18.276 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 -13.840 -8.803 7.039 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 1.909 -2.506 -4.647 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 -8.131 -7.491 -6.372 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 4.587 0.187 13.537 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 -3.728 0.959 -1.098 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 2.597 1.122 -5.925 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 -3.904 -17.344 10.754 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 -0.764 -4.331 -0.024 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 6.604 0.577 -0.367 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 28.020 21.273 1.306 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 -3.421 3.928 0.272 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 10.538 8.732 -0.025 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 -7.249 18.556 -11.221 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 -2.851 -0.081 1.203 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 -9.003 6.912 -17.334 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 12.083 12.617 9.192 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 -0.436 2.717 2.848 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 -3.668 6.875 0.855 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 4.189 -3.978 12.190 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 -6.880 -4.686 -6.476 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 3.610 -11.209 16.222 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 -1.478 -4.575 -35.469 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 4.377 4.551 -9.165 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 -8.230 20.257 0.811 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 24.338 6.841 -0.297 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 -1.264 -5.294 0.269 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 18.883 -34.694 28.834 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 7.812 -13.384 13.099 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 4.647 -4.405 4.951 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 0.075 4.856 -10.402 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 5.129 13.539 -27.056 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 3.096 2.865 4.895 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 1.058 5.241 2.705 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 9.031 -4.039 3.466 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 1.380 -3.989 1.713 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 5.816 11.758 5.528 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 -15.183 -3.253 -1.610 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 -8.326 -4.941 11.721 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 9.262 16.402 29.003 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 -8.904 15.296 -13.207 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 8.452 -1.633 -2.244 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 0.744 -4.586 25.468 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 19.191 -5.546 -9.971 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 2.712 6.312 -0.116 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 1.327 -12.077 1.860 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 -13.330 11.413 -15.023 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 4.210 -2.953 0.222 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 0.967 -1.812 -1.037 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 13.231 -18.195 0.698 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 -1.694 1.730 7.713 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 -16.161 14.809 -12.444 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 18.565 -1.877 -3.600 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 -4.015 -2.620 -6.462 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 15.414 14.418 6.323 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 40.472 -1.103 -12.463 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 -4.011 0.508 7.766 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 16.503 10.686 -3.072 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 -2.129 14.386 15.813 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 -5.614 2.250 -0.170 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 15.320 10.499 2.003 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 2.606 -10.259 14.579 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 4.168 2.947 0.053 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 16.637 -11.520 -14.925 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 4.027 2.269 -8.579 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 0.750 -3.120 -7.049 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 0.236 -6.135 -4.822 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 -20.947 0.639 -6.480 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 1.841 -0.213 5.332 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 30.378 -14.705 -7.688 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 10.701 -16.502 -6.068 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 -3.119 0.389 0.875 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 -14.705 7.726 -12.853 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 -11.639 5.854 -9.620 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 -2.111 -4.617 2.656 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 -15.140 1.724 11.605 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 4.780 8.761 -3.062 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 -0.024 -4.282 -7.641 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 5.190 9.245 -11.621 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 -27.879 -17.777 -6.203 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 -0.541 -0.245 2.899 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 16.884 4.358 13.432 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 -0.278 -2.432 -13.731 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 3.456 -2.396 -0.788 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 2.043 -10.422 -13.950 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 -3.811 -5.301 4.441 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 4.274 5.987 -5.856 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 -6.514 19.364 -2.890 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 -8.490 -16.998 -6.769 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 -1.978 1.653 -5.440 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 11.284 -16.057 -20.226 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 0.043 20.341 -14.406 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 5.582 -2.702 -1.870 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 -11.779 -0.317 -11.292 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 21.206 -21.852 -11.676 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 -8.194 -10.604 4.049 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 3.912 -7.985 -0.044 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 -23.578 -13.930 9.093 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 3.080 -0.505 -2.743 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 -0.185 2.698 -3.614 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 5.758 0.612 -3.888 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 2.998 -2.917 -0.582 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 16.015 -32.869 19.233 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 -26.046 4.054 6.744 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 -0.333 -1.210 -3.047 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 23.151 -1.562 -10.374 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 19.851 -0.565 -0.637 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 2.329 1.033 -0.029 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 -3.712 -7.007 1.221 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 8.166 -2.118 -7.450 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 -5.384 4.391 -4.617 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 -9.281 -0.485 -1.241 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 -5.625 6.294 -3.945 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 -4.043 -11.577 2.262 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 -10.434 -3.713 -2.204 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 -1.959 -11.203 2.708 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 -0.464 4.988 -0.734 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 -3.412 2.122 0.048 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 12.301 -8.309 -14.149 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 -0.762 -2.614 1.623 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 13.053 7.279 -3.428 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 -2.849 -15.071 -11.435 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 -3.026 -1.971 -1.087 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 -2.279 31.697 14.071 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 -5.569 3.347 -1.163 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 1.606 2.530 10.278 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 8.889 -1.031 -12.554 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 11.822 22.530 15.251 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 -10.408 -3.792 -0.637 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 -25.972 -11.726 -17.585 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 -2.382 1.450 -3.509 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 -0.976 -0.211 3.076 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 -19.539 -16.711 -1.201 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 6.027 3.784 -5.075 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 2.965 -4.977 0.293 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 7.954 -16.714 6.846 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 -3.434 -6.821 -1.191 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 -3.054 -0.224 -1.364 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 1.405 6.910 1.527 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 6.972 -2.380 -9.370 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 1.913 3.064 -0.392 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 8.966 15.336 18.899 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 21.956 -16.809 4.278 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 3.898 -1.112 -0.833 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 0.174 -12.157 19.465 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 16.391 -0.665 9.037 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 10.653 -4.153 2.200 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 11.762 8.693 -15.664 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 29.516 1.176 10.805 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 0.809 3.450 -0.222 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 17.675 -32.716 -1.236 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 43.856 22.746 9.814 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 -2.787 3.637 -6.056 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 -6.857 -2.332 -12.253 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 -6.551 8.828 -9.052 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 -1.761 -1.099 -0.461 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 -16.141 -5.256 -10.555 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 34.677 -29.424 -11.561 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 -4.702 -7.488 -1.405 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 15.097 -30.579 -7.744 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 -1.182 -23.696 2.303 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 2.489 -5.372 1.164 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 5.687 -9.705 5.121 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 4.721 -3.788 -10.131 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 8.030 7.746 3.009 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 -16.901 1.243 -5.930 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 5.678 0.256 -1.615 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 3.905 -6.686 5.730 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 11.014 -6.616 19.287 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 -1.922 -0.502 -7.406 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 -2.763 -6.341 2.227 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 -0.005 -2.012 -3.395 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 -12.427 -7.773 3.069 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 -0.115 2.992 0.459 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 6.410 5.494 -1.376 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 4.153 -0.325 -6.325 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 1.873 -0.076 1.385 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 3.332 -3.274 -7.907 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 0.152 5.959 -44.206 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -6.305 2.919 2.651 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 -6.780 -0.827 2.032 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 -3.149 -15.505 -2.151 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 -5.058 3.476 2.205 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 8.176 -8.464 10.099 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 -5.990 -0.650 7.257 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 0.433 -0.990 -1.841 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 1.696 16.861 14.015 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 1.683 8.897 5.485 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 -3.195 -4.216 -2.555 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 4.567 -3.648 -10.533 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 -9.573 -7.570 10.283 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 0.678 -1.027 4.641 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 8.218 -2.102 -5.594 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 5.816 -10.432 15.114 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 -1.252 3.009 1.867 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 -5.507 2.291 0.534 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 7.644 9.786 11.055 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 -2.389 1.465 4.267 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 1.421 0.343 -9.129 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 -5.120 3.781 19.954 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 1.876 -4.221 4.892 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 9.699 17.859 -10.447 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 2.165 10.867 -4.297 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 -4.402 0.344 -3.244 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 2.613 5.189 3.782 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 -5.165 1.830 -3.955 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 1.000 4.093 -2.878 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 8.458 1.689 6.909 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 -5.736 -15.112 -5.838 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 -2.547 -4.797 -3.622 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 -6.471 -16.130 18.716 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 -20.971 -8.273 -13.507 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 -2.402 -1.919 -1.005 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 -0.002 -4.393 9.511 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 -5.908 7.182 -1.401 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 0.989 -2.585 0.722 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 4.105 -5.239 -3.885 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 15.669 -6.228 -10.931 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 2.308 -0.325 -0.478 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 -3.366 -0.724 2.282 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 12.507 -3.691 -6.141 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 0.738 -3.988 -4.047 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 -3.962 2.314 -7.953 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 -11.736 -19.075 -13.235 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 3.049 1.668 -0.531 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 1.036 -14.664 -37.854 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 42.347 7.258 9.356 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 1.030 7.746 -0.813 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 0.624 18.131 -4.900 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 0.558 5.222 -7.933 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 4.304 -1.361 -1.670 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 -23.707 -19.317 -11.301 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 4.536 -1.597 11.316 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 0.124 -2.080 -0.340 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 -3.687 2.446 3.395 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 -2.482 12.161 25.413 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 2.564 -1.333 -2.152 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 28.223 6.219 -0.015 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 -14.322 3.393 -7.300 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 -4.038 1.639 4.362 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 5.613 -11.937 -2.085 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 -1.794 3.533 33.435 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 0.942 7.526 5.021 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 -39.841 3.524 -16.141 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 -10.150 10.574 -3.699 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 6.037 -7.224 -2.437 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 15.159 -11.906 -14.534 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 36.695 -18.806 -23.727 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 -1.825 -2.751 -1.156 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 0.151 11.491 8.076 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 5.621 -7.878 1.421 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 -0.650 -3.330 0.655 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 -0.932 8.243 -4.621 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 3.427 12.150 2.934 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 -3.974 -4.175 -7.335 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 10.688 3.723 -8.675 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 -6.553 -3.029 8.583 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 -5.242 6.771 -2.501 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 -8.175 -6.231 9.900 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 -17.753 5.637 -3.996 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 -1.392 -0.986 0.987 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 -24.041 -3.177 -2.618 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 4.120 22.405 1.901 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 8.206 3.913 10.563 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 27.007 8.769 6.294 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 12.471 -10.407 5.207 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 0.677 -3.783 5.220 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 -14.054 -11.124 0.337 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 25.843 29.380 10.428 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 -7.967 -3.704 -4.096 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 10.525 -12.298 -20.451 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 -8.848 23.512 -17.961 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 5.053 0.332 1.914 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 8.448 6.952 -1.784 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 5.465 1.920 -0.691 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 -0.515 -1.529 4.324 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 -0.864 24.183 -14.443 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 -15.624 -11.082 8.056 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 1.607 4.488 1.103 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 -5.199 5.485 4.393 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 18.765 -8.209 6.501 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 2.117 8.556 0.350 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 2.368 9.224 -18.305 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 4.017 11.691 -8.793 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 2.040 -0.080 -6.626 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 -3.658 -1.714 -12.137 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 -3.214 -5.558 -5.647 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 -0.418 -2.819 1.453 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 -11.243 6.955 2.760 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 -11.884 0.459 9.379 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 -5.602 -0.379 5.489 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 -6.979 1.854 2.764 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 16.429 -5.425 -4.776 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 -4.675 9.058 -0.666 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 4.660 13.280 -3.417 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 14.701 10.061 -21.920 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 -0.083 -0.275 0.954 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 -5.489 -10.524 -23.464 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 20.786 -2.095 -0.787 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 2.072 5.769 -7.217 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 -1.876 8.609 -2.698 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 -13.620 0.128 -4.761 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 8.830 -0.300 -0.100 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 7.597 -2.285 1.320 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 22.311 -6.897 7.891 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 -0.810 1.514 -0.904 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 -0.157 -14.142 11.175 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 11.161 -7.328 -1.120 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 -0.937 -5.995 8.893 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 -8.105 3.569 17.993 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 11.013 -6.207 0.628 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 0.871 -2.290 -4.852 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 -2.205 -2.591 -8.184 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 2.453 -2.643 -2.684 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 -4.157 -5.687 6.702 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 -1.715 -8.672 26.567 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 5.911 11.082 3.987 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 -6.822 2.439 -2.683 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 -5.127 6.799 28.757 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 -11.196 -0.458 2.478 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 8.336 -0.125 -2.347 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 -3.495 -3.751 -3.783 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 9.296 11.303 10.119 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 -6.818 -4.497 -1.016 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 -9.955 0.646 -12.778 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 -6.804 -17.082 -2.805 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 2.986 4.402 1.216 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 -0.639 5.177 2.800 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 15.229 15.462 -3.243 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 -7.083 1.131 2.757 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 -14.964 -20.549 10.459 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 -0.006 7.244 -32.893 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 2.846 -1.991 -7.422 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 -2.417 9.283 -6.999 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 5.835 -12.228 -12.982 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 -0.653 -0.406 0.464 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 -10.236 15.792 30.872 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 11.542 31.895 15.962 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 5.350 0.966 7.080 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 -21.432 -1.388 4.640 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 -29.832 1.031 6.423 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 -10.499 2.273 -1.907 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 4.723 0.062 -11.816 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 -21.003 12.809 -6.922 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 -0.340 7.167 2.764 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 5.376 12.522 3.058 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 -7.211 12.924 6.730 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 4.316 8.394 -2.609 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 -7.461 16.768 -9.631 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 0.225 -1.969 10.067 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 -2.804 -1.076 2.397 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 11.596 -6.885 5.592 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 2.784 34.374 4.186 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 4.792 0.299 0.428 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 8.579 -4.848 11.681 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 16.383 -4.369 7.869 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 -3.876 -3.778 1.770 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 -7.126 30.517 12.109 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 -10.393 -21.959 -16.875 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 -6.281 3.016 -1.667 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 -12.978 -9.493 -8.553 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 -5.955 4.497 15.927 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 -4.882 0.547 -0.946 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 14.618 -14.559 2.896 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 3.520 20.294 3.006 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 6.198 -2.962 -1.679 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 9.337 -9.474 1.724 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 8.889 -10.234 9.055 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 4.570 -1.005 3.298 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 -5.369 0.415 5.048 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 0.423 2.665 12.782 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 1.400 0.597 -1.100 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 14.522 -12.164 -19.146 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 -21.019 0.804 -11.402 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 -2.364 0.684 -3.850 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 1.114 -15.554 -28.411 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 2.736 2.014 -10.305 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 -4.106 -3.865 6.182 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 0.047 -9.149 2.776 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 -8.303 1.642 10.598 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 -0.825 6.554 -2.761 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 -12.022 12.426 7.867 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 4.554 -14.726 0.864 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 1.518 -4.559 -6.423 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 -5.113 22.977 21.493 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 3.662 -7.721 23.850 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 4.099 -1.788 5.942 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 8.999 2.487 19.465 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 -6.427 -2.700 8.624 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 -1.743 -2.210 1.019 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 -9.995 0.053 -1.536 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 0.862 -13.677 18.898 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 -9.328 3.931 3.598 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 20.377 6.374 13.748 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 -0.568 9.778 -5.668 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 -0.578 -2.515 -0.028 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 -4.324 6.505 -7.091 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 -11.790 -17.359 -10.274 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 1.775 -3.007 1.253 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 -0.540 -4.984 -13.180 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 2.619 -3.734 4.956 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 1.685 0.457 -4.363 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 2.697 -0.974 3.142 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 -7.116 -25.344 8.958 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 5.017 -3.267 -4.471 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 -4.558 8.128 1.955 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 -7.328 10.908 4.653 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 6.995 1.813 1.757 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 3.857 -5.764 -1.251 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 2.632 20.163 -15.564 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 -4.813 -0.824 -0.859 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 -15.979 4.861 10.822 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 -1.426 10.071 -15.580 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 4.772 -0.220 -0.243 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 -3.633 3.001 6.216 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 -1.528 3.268 5.275 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 -0.982 -0.851 4.518 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 -16.108 5.077 8.673 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 -1.395 0.807 5.609 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 -1.697 4.122 0.657 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 13.511 1.693 -18.416 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 23.307 11.629 -11.943 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 -2.514 3.497 0.154 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 18.973 6.693 12.552 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 11.006 -2.016 9.320 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 1.179 1.900 0.087 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 10.360 -2.274 0.397 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 -5.492 1.915 0.397 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 4.375 -0.208 0.337 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 -3.608 28.402 -19.259 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 -2.235 6.370 -2.689 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 -3.405 -0.272 0.288 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 -13.552 -20.009 -10.405 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 -5.813 15.469 8.494 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 0.880 3.408 3.125 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 -0.429 0.740 3.044 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 -23.743 -22.119 3.374 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 -1.840 0.074 5.759 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 -0.517 -0.826 -4.436 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 3.662 -15.785 16.452 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 -0.783 -7.285 -3.108 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 2.120 -11.802 -10.486 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 4.714 -4.879 3.498 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 -1.358 -0.932 5.157 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 -14.116 -6.357 22.722 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 -2.539 2.189 -15.419 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 -0.501 7.714 -3.476 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 4.686 -7.755 5.373 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 -15.332 17.747 -8.226 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 1.079 -2.076 0.347 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 -3.309 5.236 -13.754 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 8.323 9.291 11.041 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 7.079 -0.480 -1.737 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 6.152 -8.647 -3.756 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 10.071 7.868 1.477 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 2.776 1.647 -5.457 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 12.466 1.927 4.258 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 11.527 2.603 -16.928 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 -0.270 -4.516 -6.038 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 5.849 -7.641 -10.311 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 2.131 4.058 -5.370 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 -0.085 0.761 2.428 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 10.799 8.132 21.553 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 0.226 1.465 -4.960 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 -3.764 1.162 -3.779 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 6.173 15.600 -0.819 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 6.205 2.977 -6.336 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 4.919 -0.175 -2.692 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 4.573 -8.623 13.631 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 12.172 -4.142 -3.442 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 4.719 2.828 -2.081 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 18.441 -2.114 9.455 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 -7.859 -10.400 1.163 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 4.486 -0.947 -2.571 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 -8.080 1.546 -4.541 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 -0.208 -6.048 13.206 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 -0.566 -0.381 -3.865 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 -4.572 -1.754 -3.420 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 46.877 -5.305 -14.170 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 -2.409 -3.291 4.318 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 2.801 -4.601 11.359 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 -6.433 -2.116 1.598 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 0.553 1.928 2.994 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 -16.597 15.750 4.242 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 -8.062 -3.724 10.192 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 5.616 2.076 -0.520 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 15.346 8.447 -17.052 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 5.779 -17.093 -4.083 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 6.756 5.581 -5.790 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 26.904 -1.075 22.690 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 -14.676 24.283 2.119 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 3.965 -1.617 -0.139 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 -5.019 10.529 14.962 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 6.157 -14.420 -3.077 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 -0.503 -7.112 -3.779 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 -2.929 -13.647 -3.158 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 -8.470 10.860 21.098 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 -4.734 8.442 2.243 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 -2.220 25.330 -13.701 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 2.813 -14.852 -8.938 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 1.299 3.542 -1.380 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 14.521 -7.404 -3.811 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 3.494 3.985 1.448 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 -0.061 3.100 0.520 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 13.129 2.123 4.829 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 -8.296 -7.897 11.240 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 -2.692 1.857 2.619 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 16.597 -5.028 7.264 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 -10.791 -1.135 -13.970 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 -3.690 1.227 4.359 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 -3.563 2.806 11.948 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 -4.879 7.223 24.418 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 -2.993 -5.693 -1.478 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 15.902 10.772 -11.434 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 -9.078 -14.144 0.077 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 -2.289 -4.514 0.662 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 9.206 -0.505 -6.799 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 1.174 -15.697 1.368 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 3.378 -6.230 3.282 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 -9.561 7.463 -3.514 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 -15.463 21.513 -4.417 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 -7.364 1.213 1.255 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 -7.165 -10.852 21.055 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 -12.760 -15.003 -14.474 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 -2.246 -4.748 -6.130 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 24.614 -7.264 -12.316 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 -2.039 7.393 11.723 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 -4.927 -1.478 -2.557 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 5.050 1.877 -6.919 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 9.688 10.932 -17.216 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 1.646 -2.695 4.172 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 -5.195 -0.807 10.624 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 -4.212 -1.517 5.054 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 -1.101 -2.872 -3.231 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 0.238 19.289 9.791 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 -7.959 12.952 -20.722 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 -1.631 -2.505 4.888 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 5.407 15.022 -0.064 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 7.834 5.090 9.321 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 1.466 2.160 -0.971 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 -16.257 7.109 -1.033 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 -2.635 3.497 -0.979 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 -1.885 5.697 -0.268 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 19.863 0.761 21.340 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 4.779 21.445 12.361 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 8.794 -8.103 -4.716 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 11.972 24.115 13.978 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 -14.794 -1.574 -29.182 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 3.355 2.254 -0.861 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 -4.957 -9.699 -4.874 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 8.812 2.514 1.311 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 -7.293 -6.992 -0.560 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 -8.218 -5.067 -6.165 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 -5.294 -4.060 14.895 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 4.926 -3.897 2.892 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 -14.368 -11.249 8.961 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 -12.322 -5.371 10.813 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 -1.394 6.777 -4.750 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 -7.986 20.565 -13.613 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 10.081 -6.469 8.271 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 2.169 1.588 3.128 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 -18.216 0.424 5.536 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 -6.205 -10.320 -1.290 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 2.901 -0.829 -3.192 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 4.258 3.519 0.013 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 -6.253 -0.494 -2.036 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 -0.423 -2.576 -3.633 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 -8.778 -14.821 13.831 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 -0.942 1.038 -7.148 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 0.727 -2.456 -0.434 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 -5.441 12.667 -8.046 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 -12.622 -13.176 0.806 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 2.040 -5.128 1.170 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 2.097 -6.542 5.943 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 -9.341 -2.164 5.639 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 4.132 -0.461 -2.172 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 8.584 8.567 -9.597 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 2.174 -13.655 2.452 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 6.235 7.675 -1.580 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 13.706 -6.761 -8.103 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 -0.705 -2.345 6.407 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 2.716 -3.140 -1.811 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 3.564 2.109 18.219 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 -3.999 -12.105 -17.685 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 -6.913 -8.186 -0.219 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 33.416 -1.026 -1.668 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 12.432 -7.030 -13.495 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 4.272 3.630 -3.543 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 -8.430 9.250 -0.547 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 2.062 -2.905 -21.453 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 5.900 -0.868 -1.184 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 11.060 -3.416 10.065 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 -9.879 -0.682 0.940 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 1.375 3.279 6.253 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 -3.683 5.322 -13.424 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 -9.099 1.879 -5.321 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 -4.046 -4.477 4.028 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 -1.428 -17.299 -0.530 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 -9.757 -3.993 4.927 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 -3.590 5.026 -0.905 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 -7.295 9.019 1.308 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 -6.961 3.530 -2.614 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 0.856 -3.939 -2.320 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 27.160 9.685 13.814 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 10.691 24.059 12.588 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 0.633 -2.552 -0.814 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 -12.018 -20.439 20.555 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 -16.827 13.577 20.405 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 3.613 2.705 0.463 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 -21.223 2.449 -19.030 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 18.596 -22.417 6.581 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 -8.014 -7.381 5.470 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 17.975 -6.560 -6.814 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 9.261 -14.622 0.494 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 2.550 -6.856 2.203 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 8.416 -18.299 -1.303 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 5.165 3.683 6.345 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 -0.681 0.439 0.998 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 13.867 8.025 -13.725 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 3.776 -14.701 16.733 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 0.301 0.934 -1.864 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 -5.778 -17.510 13.213 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 4.452 -1.392 -11.487 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 1.025 3.933 -8.280 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 17.221 -6.032 4.843 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 2.705 13.592 -13.143 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 1.981 -6.358 -2.973 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 14.417 -8.836 8.035 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 11.133 -7.308 2.304 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 4.740 -1.786 -3.844 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 6.356 -14.850 -0.784 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 14.316 5.015 0.059 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 -4.708 -0.073 -0.969 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 -13.475 -18.650 -32.870 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 -1.107 20.920 14.347 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 -1.388 -1.543 6.110 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 -5.406 -13.458 10.999 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 -7.599 -14.907 8.674 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 2.002 -1.417 -3.770 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 -0.150 -0.480 0.389 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 27.017 -0.321 -1.121 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 -1.127 -3.295 3.325 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 -16.420 -17.638 17.227 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 0.790 -14.788 29.687 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 1.563 -7.134 1.694 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 -1.327 -9.067 12.073 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 5.843 -3.192 -21.803 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 -0.568 -2.029 -2.738 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 0.951 9.603 -10.446 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 -2.123 -16.149 8.720 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 5.765 1.267 1.613 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 9.359 -6.237 1.299 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 -12.536 24.318 9.356 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 -3.968 -0.356 0.570 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 8.178 27.188 -11.860 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 9.142 -14.350 4.228 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 11.023 -0.524 -2.104 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 0.349 -33.309 13.685 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 14.826 -4.654 24.627 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 -2.168 3.050 4.299 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 -14.435 16.998 4.503 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 -8.205 -2.555 -14.221 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 -0.595 3.303 1.291 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 -22.694 6.881 -9.922 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 -3.920 -3.527 -3.585 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 -6.537 -3.057 9.482 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 -9.666 6.042 13.271 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 -4.905 2.018 1.017 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 5.746 7.454 -7.503 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 9.140 8.453 -1.800 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 8.361 -1.569 7.657 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 -4.835 -1.720 0.640 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 -2.940 -6.668 20.167 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 -18.876 -23.424 -0.014 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 3.637 0.343 3.361 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 -5.278 -4.911 1.019 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 12.789 12.936 -5.748 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 -1.937 -0.560 4.747 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 -16.653 -18.131 -2.643 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 -1.866 -18.783 5.661 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 -6.082 4.772 -9.957 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 -5.046 8.254 -8.463 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 -11.094 2.339 -11.758 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 4.292 -3.978 -7.120 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 24.227 4.671 7.276 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 23.999 14.719 -20.084 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 5.734 -6.042 -0.807 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 26.193 6.810 4.086 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 -0.373 -2.938 -10.443 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 2.703 1.819 -2.343 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -8.830 3.457 2.794 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 19.916 -5.656 -23.938 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 -0.535 2.216 -4.466 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 4.399 -8.932 9.234 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 16.056 -6.212 -34.540 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 3.391 4.944 -2.992 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 17.750 -7.114 -13.165 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 -20.604 14.394 -17.281 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 -3.767 2.170 -4.747 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 -8.895 -2.538 -0.664 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 10.242 17.183 5.341 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 -0.635 0.382 0.749 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 8.008 26.395 -2.239 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 -2.024 -16.265 -0.027 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 3.113 -2.978 -5.003 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 -9.798 -13.693 -11.869 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 8.524 2.164 5.201 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 -6.645 0.052 -1.373 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 -29.819 2.481 -6.026 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 -21.702 2.402 -0.897 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 1.340 -1.108 1.170 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 30.644 6.305 -9.673 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 -10.291 -13.825 -23.104 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 1.458 -3.964 0.445 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 -0.871 -12.780 12.454 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 8.657 19.793 -33.542 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 1.633 3.591 5.732 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 7.124 9.495 22.767 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 -0.502 -8.119 15.948 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 0.364 -2.658 2.225 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 11.717 -0.176 8.287 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 -8.419 -6.888 9.681 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 2.896 -0.051 11.298 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 -4.682 -3.465 4.225 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 28.540 21.498 5.949 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 -2.032 -3.074 5.258 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 5.946 3.825 24.660 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 -16.777 -16.050 8.796 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 -5.121 3.645 4.071 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 -21.068 -14.510 9.372 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 7.271 10.885 -10.202 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 -5.784 2.661 -3.797 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 -7.000 1.736 -32.335 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 -29.286 16.712 4.151 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 3.199 -4.259 4.986 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 4.485 -3.360 1.194 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 -0.223 2.912 0.948 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 -0.801 4.550 -2.286 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 3.586 -0.097 -1.034 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 5.669 -1.276 12.769 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 -3.272 6.502 10.978 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 -18.094 2.200 2.664 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 17.851 -10.772 2.550 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 -1.724 -5.546 -0.717 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 2.816 -1.576 4.808 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 -13.435 4.497 8.676 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 -0.253 -4.033 -2.095 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 -0.794 -2.548 -19.484 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 19.298 -4.183 -0.148 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 -5.403 -2.379 -0.262 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 -18.843 -5.983 14.571 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 -6.824 -11.514 5.013 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 -0.419 -2.340 -2.161 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 4.141 -0.301 22.350 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 7.096 6.136 13.155 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 -0.466 -2.580 1.017 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 -5.571 3.082 9.820 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 -6.699 -16.415 -0.846 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 -3.946 1.502 0.821 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 -17.410 13.668 -2.284 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 -11.568 17.951 1.817 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 1.219 -1.149 -2.671 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 9.039 4.831 -12.215 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 -1.068 1.784 1.980 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 7.220 6.228 -5.184 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 0.652 6.733 -9.009 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 4.714 12.169 -0.949 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 -1.203 1.373 3.012 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 -0.952 -2.605 11.565 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 6.529 -0.247 -0.798 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 2.018 1.476 -6.225 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 -32.652 1.461 5.141 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 23.685 3.745 25.187 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 -2.885 -5.622 0.012 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 -0.759 -8.595 -0.046 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 -0.443 -13.432 -2.199 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 -2.932 4.476 0.699 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 -14.597 16.037 6.334 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 19.517 8.432 -10.874 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 -1.153 -0.502 2.388 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 -10.862 3.878 -7.805 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 -3.980 -1.001 7.163 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 -1.955 -2.879 4.760 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 -10.268 -1.654 14.633 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 0.546 1.302 -36.610 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 -1.619 -1.786 4.017 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 -6.600 -1.402 1.091 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 -11.144 0.121 -3.246 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 -2.448 3.352 -0.534 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 3.004 0.836 -0.164 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 2.001 -3.053 -5.901 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 -5.403 -3.866 2.583 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 -37.901 -11.268 -24.990 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 -20.156 -16.686 -9.505 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 -3.784 3.732 4.245 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 13.805 19.283 -15.398 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 -10.707 -3.667 13.168 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 4.530 2.422 0.794 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 -3.364 -15.104 -17.221 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 1.651 22.533 7.412 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 -1.483 -5.882 -1.348 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 8.417 22.880 9.204 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 19.916 -25.240 -0.047 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 -2.870 -3.905 2.834 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 8.389 27.796 4.524 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 16.466 -18.413 25.463 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 -2.166 3.781 -1.829 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 -15.817 3.136 28.866 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 -0.749 7.339 -14.841 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 3.787 -4.743 -1.134 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 -9.457 -21.077 -11.312 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 -4.521 -6.660 -25.138 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 -0.677 5.200 0.648 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 -12.543 -10.524 -4.623 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 -13.465 16.328 -1.017 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 -4.615 -0.590 5.487 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 -1.145 -7.549 25.061 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 -9.004 -11.942 -0.217 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 -0.587 8.269 -3.413 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 0.231 12.071 3.663 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 8.252 17.430 10.068 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 7.328 -0.535 -2.714 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 -3.146 -12.907 -6.703 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 -5.954 10.749 -14.205 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 4.880 -5.194 -4.167 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 5.546 -16.280 -3.456 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 3.388 10.930 -6.608 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 5.993 2.748 8.091 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 25.848 -5.111 16.348 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 7.261 11.642 -0.397 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 -3.885 -6.756 2.767 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 33.633 -14.602 -1.043 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 18.696 -2.506 15.687 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 5.251 -4.585 0.186 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 2.855 -4.683 -1.092 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 19.554 1.880 1.679 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 1.670 7.175 2.480 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 7.084 -4.506 6.301 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 -6.765 20.035 0.003 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 -4.163 0.916 1.126 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 9.853 3.746 -16.951 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 -15.160 20.216 0.379 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 -0.402 -3.817 4.693 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 -4.949 5.850 5.872 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 -2.711 1.131 2.922 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 6.276 -2.028 -0.262 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 -4.844 -12.984 38.200 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 12.177 -3.532 6.558 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 -1.296 1.388 -2.070 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 30.015 24.744 -11.106 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 8.883 26.635 9.687 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 -1.708 0.310 -0.115 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 -0.568 -10.159 28.323 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 0.588 1.121 -11.225 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 1.482 1.787 0.483 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 0.884 -0.222 2.132 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 17.670 12.939 21.079 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 -3.228 3.128 1.292 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 6.540 -5.318 -16.408 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 -10.419 11.445 14.989 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 1.711 1.884 6.750 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 6.294 4.992 -2.924 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 27.243 -3.573 1.250 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 -4.347 1.344 0.861 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 -10.744 0.864 -6.782 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 -7.888 2.066 -1.835 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 0.194 -1.276 -1.964 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 5.721 5.910 -5.600 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 8.435 -8.858 10.656 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 0.970 8.288 4.876 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 -1.928 11.132 -5.203 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 2.151 2.090 17.659 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 -4.518 -9.482 0.060 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 -4.213 5.384 -18.478 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 8.276 5.782 -7.764 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 -1.994 2.640 1.773 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 -24.720 -9.770 -7.626 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 0.851 -5.714 -3.261 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 -1.159 -5.248 2.369 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 20.208 -14.987 2.256 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 -9.210 -13.376 -18.009 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 3.020 -3.904 4.460 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 23.990 12.385 -0.941 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 -9.504 6.500 19.826 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 1.971 -3.140 -3.383 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 2.983 3.955 -6.398 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 2.752 -36.410 1.407 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 4.305 1.660 1.325 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 -2.791 -5.887 -0.027 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 11.056 8.717 4.990 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 1.696 2.527 2.424 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 3.370 -11.130 -0.522 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 0.982 -4.021 14.133 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 -2.068 1.994 0.822 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 6.938 5.502 -2.886 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 -11.312 -6.331 -2.808 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 -2.596 0.286 -3.030 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 -11.994 9.135 0.955 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 -0.931 -1.901 6.098 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 8.171 5.353 -6.504 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 22.641 1.381 7.024 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 8.207 6.357 -11.578 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 -3.096 7.262 -2.221 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 5.145 -2.683 9.230 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 1.819 0.313 -14.244 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 0.909 -1.623 0.566 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 -14.770 17.704 -21.035 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 -4.509 -4.868 5.037 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 -1.898 4.866 -1.892 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 22.902 4.014 -3.440 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 30.394 -14.936 -3.659 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 0.115 0.213 4.434 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 -0.905 9.733 16.144 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 0.172 -10.881 3.035 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 -1.238 -3.919 4.619 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 16.101 12.121 -7.199 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 3.291 25.843 -9.942 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 7.049 8.582 -0.249 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 3.343 -8.418 2.237 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 0.877 -1.289 -10.156 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 2.784 0.471 -1.676 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 -6.785 -2.977 14.910 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 11.597 8.382 -19.008 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 5.364 -0.643 0.032 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 -5.936 -3.414 -6.030 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 -0.834 8.795 3.001 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 -6.245 2.340 -2.761 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 -4.382 -8.380 2.978 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 4.670 6.974 -0.955 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 -6.034 1.459 8.374 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 -11.263 4.502 -3.744 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 8.725 19.590 -3.036 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 -1.829 -5.729 -0.880 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 -3.018 -4.397 4.165 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 -4.516 0.989 11.684 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 0.110 -9.350 1.980 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 -6.818 -13.581 -17.956 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 -8.144 -7.477 -6.137 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 -2.589 2.308 3.706 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 -1.715 2.668 2.949 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 -5.245 3.218 10.451 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 -0.276 -3.061 3.011 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 0.887 0.385 2.929 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 -16.668 14.936 16.828 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 3.983 -2.950 1.976 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 5.888 6.718 -16.766 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 0.542 12.193 13.173 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 5.323 -5.999 2.301 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 4.389 0.964 16.874 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 10.792 -13.397 -4.509 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 0.190 -1.070 4.352 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 -6.372 12.173 -4.760 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 12.844 -4.564 -2.111 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 -1.451 -5.399 0.805 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 -19.998 -11.152 2.838 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 6.531 -20.440 3.524 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 4.447 6.850 -4.087 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 -18.836 -11.908 35.218 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 23.531 0.039 15.341 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 8.933 1.509 -1.466 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 32.375 -0.092 -20.173 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 -17.269 5.228 18.400 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 -0.272 1.630 -2.125 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 -0.469 3.937 -0.058 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 3.919 -2.512 -1.764 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 -4.786 4.559 1.028 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 -2.239 4.972 4.538 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 -10.110 2.357 -5.477 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 -5.547 2.798 7.042 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 -8.532 -4.679 7.667 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 -6.386 3.278 9.454 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 -1.355 1.449 -0.490 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 -16.475 5.379 -5.612 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 4.823 24.526 -13.993 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 0.829 5.083 -11.727 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 26.795 -18.468 -12.420 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 -3.642 2.999 6.350 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 4.300 -0.332 -1.126 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 -5.058 7.655 0.390 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 -11.594 16.348 -5.602 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 -0.650 -6.609 -4.664 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 16.552 -8.268 3.610 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 -16.243 7.232 4.262 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 -1.151 -2.119 -1.089 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 5.503 3.112 -1.226 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 -2.608 1.476 -9.853 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 6.127 8.283 -0.950 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 -15.677 26.552 -17.078 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 8.725 10.607 10.975 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 -2.554 -2.072 -6.112 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 -5.230 11.438 -14.045 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 8.274 -9.138 19.075 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 -0.253 -3.946 -6.573 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 2.192 -10.088 -11.314 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 3.522 -0.067 -12.520 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 -5.335 6.103 3.686 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 -30.192 4.841 12.388 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 -12.737 31.253 3.650 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 -1.635 3.764 1.050 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 0.344 -8.598 -1.054 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 -19.648 1.914 34.123 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 5.807 6.867 -0.868 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 5.998 6.369 14.221 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 -3.145 8.196 7.572 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 -2.429 4.144 -5.145 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 5.291 6.080 -4.792 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 7.574 6.186 12.350 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 -1.085 0.364 2.310 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 -2.691 -2.910 -0.874 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 5.850 5.994 -1.764 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 6.609 1.641 0.990 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 0.966 9.687 -1.853 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 11.303 -2.665 -8.975 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 5.895 -0.019 0.466 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 -5.219 -12.514 -0.843 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 0.429 2.094 4.249 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 -3.450 2.403 4.375 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 -7.375 7.225 24.255 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 -10.071 15.208 -2.020 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 2.883 3.443 -1.157 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 9.516 -9.086 -9.282 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 11.465 -13.711 -12.114 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 -5.926 -6.135 2.319 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 4.088 -5.348 -3.797 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 -2.720 -12.709 -0.175 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 4.468 -2.474 0.204 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 18.196 -2.658 -3.794 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 4.372 -4.083 1.948 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 0.128 1.039 -2.537 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 4.197 7.842 -1.346 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 -6.010 -21.368 -7.338 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 -2.407 -2.401 1.744 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 6.308 -4.752 0.343 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 16.719 6.728 0.513 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 1.979 3.343 1.433 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 -19.019 31.749 -2.837 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 -14.247 -7.638 -39.665 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 -0.681 0.124 2.948 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 -5.325 -12.211 7.606 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 14.648 -14.092 -21.827 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 0.794 1.755 1.880 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 0.472 -0.180 4.740 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 13.717 -11.964 4.001 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 5.355 -0.655 -6.360 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 5.751 -0.536 -2.626 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 29.120 -1.474 -16.753 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 -6.364 0.201 -0.377 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 -2.010 0.767 3.304 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 -21.323 12.154 -9.559 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 3.168 -0.476 4.754 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 -0.485 19.894 10.864 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 3.962 -14.703 -17.420 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 2.147 3.814 -1.295 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 12.548 5.859 -24.079 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 10.268 0.503 -2.603 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 -1.250 4.881 -2.565 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 21.727 2.285 -6.781 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 -10.257 -0.137 8.696 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 -2.904 -2.207 2.370 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 -4.162 5.521 -1.526 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 -10.858 6.727 13.294 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 -1.572 -4.356 -0.933 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 -1.752 -9.630 -12.569 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 -12.393 -16.225 -19.670 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 4.319 -2.231 -4.975 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 8.023 -4.843 7.995 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 -10.956 -1.726 -2.751 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 4.052 -6.679 4.175 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 1.477 -1.123 4.674 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 5.208 -11.651 4.309 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 7.110 9.204 5.112 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 16.752 14.522 13.086 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 -8.199 12.021 -7.916 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 0.625 1.470 3.799 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 5.997 24.768 11.802 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 10.569 -11.508 27.350 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 1.271 -0.045 -1.737 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 -2.128 4.671 -8.758 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 9.441 13.267 -2.898 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 5.761 2.161 5.918 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 -0.302 11.386 6.730 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 -3.547 18.745 7.375 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 -1.536 9.659 0.920 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 -17.110 5.415 -26.729 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 4.526 9.886 13.318 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 7.132 -1.503 0.029 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 -7.308 0.043 -8.730 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 8.632 -2.676 -2.271 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 -4.446 2.224 5.321 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 -1.340 5.232 5.137 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 -6.798 -15.259 14.998 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 -1.016 4.215 5.102 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 -13.814 7.261 17.048 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 9.610 -4.531 8.578 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 0.017 3.951 2.765 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 3.866 0.444 2.151 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 -5.797 7.130 14.831 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 2.681 3.646 3.235 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 2.228 7.111 4.409 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 2.742 11.502 -1.949 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 -6.362 8.410 3.920 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 -31.308 7.594 11.994 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 27.929 11.113 -6.567 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 -1.399 0.186 5.080 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 9.825 -36.700 6.587 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 -8.092 24.551 3.771 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 3.377 -3.031 2.118 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 -6.936 -10.580 -0.189 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 7.895 5.861 11.672 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 1.155 -2.253 3.022 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 3.287 -9.462 16.403 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 10.776 -7.581 -8.206 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 0.436 2.084 -3.195 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 -2.634 7.483 -2.452 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 13.149 -5.212 -11.541 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 2.071 -1.089 -7.979 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 14.291 -1.365 1.574 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 6.412 -5.080 9.978 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 -2.343 -5.905 5.436 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 -6.259 -3.620 18.096 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 4.964 -5.313 5.030 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 -0.681 2.203 -1.766 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 31.288 -1.135 1.210 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 -26.777 8.456 27.877 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 3.112 -1.545 3.507 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 -1.540 -15.705 11.221 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 4.966 -4.457 -1.671 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 -8.964 -4.749 -4.907 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 -18.803 -1.466 2.482 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 9.098 -0.921 -1.763 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 -4.486 -5.662 0.186 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 -6.971 -6.144 -0.745 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 -2.441 -5.905 -3.208 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 -5.195 -1.041 -2.795 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 -2.088 15.584 8.122 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 -17.795 29.964 17.712 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 -2.038 -0.969 7.516 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 8.897 12.877 36.109 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 -4.129 2.491 -0.476 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 -3.095 -7.167 3.533 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 -1.408 21.924 -6.934 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 -14.052 -9.346 15.743 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 -10.700 -0.645 0.609 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 2.239 -6.505 -6.687 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 -6.904 -0.307 15.506 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 -3.450 -5.617 0.021 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 -19.151 14.755 -13.468 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 -4.229 -9.701 -3.002 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 -4.372 -0.137 -5.256 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 -10.521 -18.087 -18.686 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 -10.054 2.812 -12.839 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 -4.718 2.498 0.237 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 -1.717 2.285 -0.288 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 -8.000 3.121 0.639 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 0.418 -1.483 -0.775 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 13.599 -12.552 3.322 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 -25.470 4.007 -10.181 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 0.682 -4.970 0.723 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 3.010 -3.952 -7.898 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 -0.745 -5.443 0.155 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 3.734 10.189 1.379 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 6.413 30.368 -4.854 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 2.687 4.317 18.172 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 -2.370 -6.114 2.697 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 -1.905 -9.609 -14.732 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 -1.669 -3.027 20.250 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 1.233 3.894 -1.480 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 10.689 14.593 10.084 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 -0.600 0.696 -18.235 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 -0.312 -10.951 0.975 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 6.580 -11.250 -14.004 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 7.773 -4.162 -3.314 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 -1.035 7.996 5.551 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 -4.647 -22.675 4.622 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 13.920 5.879 9.630 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 -2.037 -2.726 0.232 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 7.641 5.785 0.540 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 -16.232 -2.674 14.493 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 0.977 -0.525 -1.776 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 -13.405 18.141 0.893 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 12.569 -3.266 10.562 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 -2.823 5.052 0.372 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 15.529 -3.163 -5.002 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 -11.707 -18.875 -9.529 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 -2.699 -2.637 -1.577 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 4.678 -11.681 0.234 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 5.817 9.324 -7.139 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 0.385 -6.843 -0.024 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 13.428 12.660 -18.821 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 -16.415 -32.214 14.445 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 0.406 2.557 -3.991 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 -8.103 5.375 16.836 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 11.248 20.502 -5.596 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 -2.331 -3.776 2.520 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 -1.355 -3.953 7.095 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 -3.993 0.526 -7.595 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 -3.317 1.888 6.195 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 8.949 -7.332 -18.645 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 -3.183 2.256 7.901 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 -3.353 11.051 2.119 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 -1.312 14.029 2.382 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 -1.486 7.922 -0.309 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 -1.614 2.995 1.931 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 8.937 -0.810 29.353 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 6.987 -1.707 3.542 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 8.696 2.599 8.010 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 -0.086 16.252 33.482 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 17.630 21.369 -8.666 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 8.160 0.681 3.684 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 15.699 -6.782 2.277 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 6.610 6.201 -5.514 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 -2.338 -6.370 1.911 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 15.291 1.989 -3.197 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 16.164 -2.891 5.423 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 0.030 3.656 2.107 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 24.161 7.445 -3.191 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 1.123 -14.283 -2.686 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 4.436 2.552 4.466 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 -8.265 13.158 -7.251 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 7.284 -1.596 4.475 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 -4.108 0.172 -5.588 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 -4.394 8.415 -3.476 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 -1.874 -5.987 -8.899 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 1.013 1.437 4.628 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 5.442 -4.017 17.285 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 -3.132 -12.189 -6.073 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 -1.807 -0.416 0.845 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 -0.764 14.868 -4.456 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 -5.616 17.671 3.090 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 -5.762 4.207 10.306 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 -7.887 10.502 8.264 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 -10.673 -1.991 -7.184 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 -1.866 1.475 -5.462 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 2.283 4.764 -0.944 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 -1.594 3.393 -9.168 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 0.270 0.891 -0.661 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 13.887 -1.652 21.155 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 2.030 15.650 12.612 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 -2.101 -3.053 -4.855 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 5.701 7.695 6.691 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 8.644 7.674 -17.526 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 2.458 2.475 -5.275 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 -4.539 2.658 -9.093 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 3.089 -7.499 18.284 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 -1.867 6.148 -2.382 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 -10.799 17.054 8.002 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 2.188 -2.210 0.736 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 0.839 -0.259 2.447 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 9.058 -2.834 3.521 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 -9.522 3.820 -1.108 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 0.057 1.038 4.992 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 21.778 -15.180 -0.332 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 -16.262 -17.186 18.406 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 -4.988 -3.617 1.754 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 -10.614 0.922 11.955 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 -26.352 14.089 11.172 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 0.122 -1.722 -0.792 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 7.529 4.361 -9.600 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 -8.191 -7.356 1.614 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 -0.068 7.185 3.981 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 13.145 -8.088 7.660 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 -5.962 -9.292 12.292 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 0.824 -3.851 3.201 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 23.525 -42.532 3.124 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 -13.837 22.950 4.462 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 0.528 5.606 -11.303 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 6.968 3.243 -5.676 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 -4.771 0.211 -17.438 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 5.417 -2.991 2.475 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 1.538 1.965 -7.061 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 -12.428 1.327 2.122 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 5.280 -3.119 5.499 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 -2.377 -8.480 5.703 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 12.535 -8.722 2.801 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 2.921 -4.584 0.540 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 -33.242 5.313 11.950 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 -0.183 -34.455 -8.188 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 0.976 -8.849 4.168 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 17.586 -2.762 11.795 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 -8.370 10.997 -12.698 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 4.797 2.475 4.507 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 5.948 12.072 -1.494 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 4.507 9.056 4.279 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 0.812 4.842 -4.988 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 1.902 -7.954 -2.487 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 -2.153 9.210 13.647 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 5.554 -0.234 -3.393 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 16.166 1.820 -9.992 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 3.932 -12.559 -9.019 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 -2.915 0.927 2.003 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 7.138 -0.027 -13.304 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 -9.302 4.351 -3.847 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 -4.609 0.590 -9.966 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 -1.229 -1.251 -14.555 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 3.108 -1.724 -9.927 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 4.783 -1.711 -2.523 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 -30.888 -5.620 7.723 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 10.992 -1.770 -6.823 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 0.837 -1.544 -5.909 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 20.070 1.082 9.087 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 -14.161 -1.833 3.895 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 -1.923 1.892 -0.222 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 9.664 2.567 21.926 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 2.980 -19.799 -6.620 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 -3.854 -0.219 -1.492 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 -6.415 0.196 3.134 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 -17.514 23.226 -9.226 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 -3.428 2.967 6.651 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 7.137 0.745 -13.257 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 9.316 3.155 -7.290 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 -3.230 -0.557 -3.858 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 39.862 10.158 -27.504 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 -7.865 -3.552 13.004 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 -0.536 -2.631 -5.447 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 -0.772 -12.640 -4.894 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 10.081 11.720 4.512 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 -3.667 -2.340 -2.724 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 -18.328 12.779 -10.537 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 19.073 6.294 -6.021 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 3.643 6.672 -0.049 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 15.911 3.315 3.971 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 3.019 21.744 0.283 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 -5.377 -6.127 -1.090 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 -6.711 2.392 16.535 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 -1.454 11.262 -14.999 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 -0.535 -2.926 -0.251 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 12.198 -4.926 -13.313 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 2.769 -3.461 -5.665 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 1.923 1.836 -2.357 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 6.915 -13.051 -15.735 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 -17.302 12.847 -0.012 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 1.502 -0.186 -3.593 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 17.885 2.888 8.679 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 2.940 20.048 -14.975 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 -2.322 -2.225 -6.038 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 0.448 -12.228 4.731 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 7.571 13.044 -6.290 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 6.719 2.955 -0.744 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 5.999 6.234 -0.824 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 11.053 -14.458 11.343 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 1.567 -0.717 0.845 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 15.779 -30.578 -5.983 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 -11.631 -23.942 -7.355 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 3.780 -3.865 -2.196 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 3.049 -0.184 -0.702 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 1.836 -7.122 -1.614 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 -2.017 -1.229 -0.365 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 -9.405 -16.778 9.641 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 -8.659 -0.671 -3.487 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 2.221 -4.837 -0.649 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 28.151 1.533 -9.893 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 -17.652 -9.003 -7.577 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 -1.184 1.035 1.040 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 -3.094 -1.192 0.838 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 1.823 10.705 -0.442 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 -1.342 2.312 5.183 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 -8.925 -2.390 -7.474 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 -16.792 2.829 -4.899 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 5.921 3.209 -7.239 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 -7.169 0.983 -23.391 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 21.412 9.613 1.058 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 -6.389 -2.181 3.289 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 -9.865 -4.971 10.338 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 -15.928 6.490 -0.184 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 5.331 0.561 2.609 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 39.420 -13.947 27.047 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 -5.633 8.099 -2.863 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 -4.449 -2.931 2.482 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 -5.592 5.422 6.040 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 -7.070 2.980 4.272 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 -1.597 -3.770 -2.349 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 -0.297 3.274 -1.798 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 7.506 -5.583 -1.977 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 -0.077 3.132 1.011 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 -16.021 6.225 5.793 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 -5.759 -12.394 -21.225 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 -2.107 1.735 2.495 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 0.538 -2.751 -14.120 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 7.338 -24.265 -12.026 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 3.162 -1.526 -2.555 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 8.349 -0.153 -0.717 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 8.205 -4.444 0.895 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 -4.574 2.386 -2.945 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 -9.587 18.235 12.824 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 -0.826 12.204 -25.527 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 -1.481 -10.064 2.633 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 13.843 29.613 -10.993 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 17.418 9.359 14.444 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 2.441 4.196 0.226 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 -1.926 7.370 -12.406 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 18.146 -3.217 -0.923 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 -2.598 -0.800 -5.962 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 8.936 6.917 -31.354 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 -14.065 13.469 5.353 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 -0.435 1.677 3.099 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 10.925 -4.338 12.544 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 1.746 -3.836 -5.397 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 4.246 1.343 0.845 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 -22.559 4.020 8.945 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 -0.263 10.668 -8.073 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 3.721 2.348 8.777 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 -21.479 1.898 -0.894 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 9.805 13.030 -2.167 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 -8.120 -4.181 6.087 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 -22.279 -5.433 7.535 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 0.210 1.519 16.598 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 1.597 0.347 3.201 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 -3.184 5.319 -3.601 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 -0.425 -1.997 -10.003 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 -1.005 -3.297 5.035 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 -1.117 7.727 3.173 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 8.750 -2.553 2.339 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 -4.786 3.808 -1.312 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 -6.775 28.872 2.146 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 -5.147 3.545 -5.870 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 2.282 2.601 3.205 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 -4.800 17.926 -0.269 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 5.891 -1.625 9.536 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 0.394 -0.735 0.668 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 13.759 -11.810 18.792 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 -10.227 -4.543 34.717 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 2.125 -2.151 -3.842 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 -11.545 -0.621 -11.277 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 4.834 -8.998 3.760 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 -0.155 4.150 -0.863 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 -22.201 5.451 5.812 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 8.345 33.402 -11.187 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 9.823 -1.436 1.742 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 -10.089 13.483 11.010 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 9.561 -1.484 -2.547 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 -3.935 2.377 0.140 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 7.303 7.737 -14.012 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 0.020 17.758 -6.274 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 -5.724 3.019 -0.948 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 9.529 -4.705 -8.793 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 8.833 -6.632 -5.883 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 -3.564 -1.573 5.769 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 -7.079 -2.152 3.720 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 15.699 3.846 12.568 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 -4.285 -5.682 -3.142 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 -14.989 7.371 -5.199 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 -8.575 -2.814 13.506 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 7.408 7.664 -4.479 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 -17.242 26.621 -14.293 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 11.804 17.972 7.633 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 -5.856 1.557 5.491 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 -3.639 -1.926 2.604 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 -5.626 5.807 1.870 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 2.885 -7.580 6.071 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 3.731 8.694 10.652 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 10.429 14.653 0.595 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 1.610 7.675 1.105 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 -11.463 18.086 0.727 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 7.206 -10.477 4.982 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 1.243 1.089 -0.120 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 -12.327 -1.741 16.618 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 -0.693 2.236 -0.509 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 2.492 0.923 -3.811 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 -16.172 -10.874 4.616 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 0.847 -14.772 -15.551 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 -0.022 -0.044 -2.284 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 -10.781 -19.688 12.826 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 -8.265 -15.582 18.408 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 6.321 0.927 -0.867 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 8.947 23.625 3.156 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 8.859 -1.646 -0.917 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 -3.209 10.652 -4.513 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 -0.551 7.868 -13.826 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 -7.621 24.076 0.626 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 -0.513 -0.935 -0.857 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 -16.095 -14.977 -0.189 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 -2.878 -17.209 -1.454 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 2.092 0.935 0.061 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 -1.301 6.345 13.069 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 36.217 10.378 6.841 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 -2.726 3.611 0.545 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 0.816 -23.504 -11.363 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 -4.781 9.860 5.315 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 -2.521 -6.581 -2.043 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 -1.589 -22.349 4.963 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 2.313 -18.251 -9.384 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 -3.885 -4.615 -1.175 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 -8.476 -1.226 -1.872 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 -5.421 -6.009 2.184 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 -1.697 0.333 -3.984 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 5.389 -16.067 16.699 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 3.699 -7.265 2.128 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 0.871 3.175 3.164 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 1.918 3.629 2.270 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 8.039 9.495 -9.205 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 -2.374 -3.222 2.911 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 1.419 -7.924 10.931 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 0.209 -7.555 17.767 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 0.175 -1.809 -2.605 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 1.215 15.624 -18.453 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 -34.752 0.259 4.407 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 5.619 0.948 -5.926 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 7.234 5.719 -0.402 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 3.590 -0.741 -1.954 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 -1.177 -0.507 0.795 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 -6.875 4.589 -2.599 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 -5.575 -5.434 9.169 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 1.765 0.039 5.753 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 11.712 4.459 12.730 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 2.581 -8.942 3.773 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 -1.109 -0.204 -4.451 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 2.650 -1.864 -3.974 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 -1.120 -21.442 24.151 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 7.635 0.071 -0.080 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 4.367 6.197 6.211 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 14.586 4.417 -5.074 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 2.490 5.321 2.378 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 0.597 -6.878 -11.692 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 -4.018 -22.324 -13.362 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 0.220 -2.697 -2.204 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 7.214 -6.079 -3.407 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 -1.121 -1.095 -0.632 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 -1.387 -2.154 -1.024 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 -22.507 18.331 -1.069 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 3.370 -12.028 4.436 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 4.286 -5.983 -5.356 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 5.750 -5.783 -5.472 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 -0.151 -5.466 0.337 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 -0.316 -2.422 -1.230 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 10.177 24.870 8.941 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 2.420 7.417 2.239 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 0.880 -5.101 -3.194 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 -12.331 -6.767 -5.804 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 -27.348 -0.535 -7.665 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 -1.468 2.276 -2.509 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 -2.991 -0.355 -2.785 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 -2.870 -17.113 -6.920 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 -3.187 6.087 3.587 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 -33.227 19.053 -6.581 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 -6.481 10.236 -7.255 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 7.311 0.608 -1.394 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 6.016 -8.098 -0.852 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 6.456 -2.567 -1.248 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 6.516 2.747 -3.022 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 -28.187 -3.124 -0.232 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 -17.025 -2.330 -14.331 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 2.416 1.957 5.162 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 -12.407 -5.728 -13.648 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 18.861 22.262 -15.058 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 -2.331 0.559 -8.188 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 -2.178 3.261 -7.521 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 -5.087 -32.143 -11.972 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 1.844 4.819 -3.166 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 -3.040 7.888 -14.791 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 9.186 -0.494 3.459 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 6.769 6.313 -2.566 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 9.694 5.037 -1.366 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 19.239 -19.730 -1.527 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 -0.230 1.908 4.855 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 -14.109 31.779 3.338 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 -1.021 20.208 8.141 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 11.021 5.459 -7.430 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 10.436 2.802 -6.773 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 3.868 -6.877 -7.839 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 0.781 3.181 5.328 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 -17.355 -9.027 5.075 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 -19.697 0.189 -3.420 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 -2.142 -3.379 2.599 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 1.314 -10.962 11.748 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 8.615 -0.345 -4.562 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 -4.658 -1.134 0.416 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 2.358 -3.133 -10.500 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 4.098 5.212 8.080 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 1.393 0.657 -5.434 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 12.897 7.679 -26.797 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 6.305 1.906 -20.387 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 6.145 -1.388 1.352 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 9.261 -16.913 3.861 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 -3.599 -11.680 7.162 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 3.776 -3.654 2.513 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 -4.912 4.470 11.280 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 4.782 -2.619 3.219 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 -4.092 4.716 -1.821 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 -6.050 6.120 -1.198 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 -4.235 2.739 -6.489 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 -2.135 1.134 0.829 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 -7.453 6.053 -6.419 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 -3.014 16.435 -5.740 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 -4.437 3.795 -2.412 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 1.159 -2.524 -4.088 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 1.865 5.431 -5.891 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 -1.675 -7.211 1.745 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 -1.047 15.418 -23.008 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 -16.030 9.187 27.348 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 3.308 8.779 -2.793 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 11.500 5.439 -12.816 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 17.805 4.060 2.570 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 -0.865 -6.451 2.764 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 7.326 -11.387 27.112 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 4.913 -27.481 -10.231 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 -2.278 0.401 6.046 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 2.170 -0.564 -3.598 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 -4.902 -10.115 16.668 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 -0.989 9.354 -3.813 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 -13.773 -1.191 -10.905 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 12.676 -1.228 0.862 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 2.775 0.678 -3.984 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 -0.976 -20.725 5.244 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 -28.696 15.993 11.690 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 1.871 5.445 -2.329 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 -5.922 -31.727 -14.962 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 1.333 1.130 -3.996 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 5.973 -1.786 -2.025 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 15.909 3.633 -1.744 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 -1.440 4.883 1.550 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 3.876 5.388 -3.171 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 -6.731 8.361 12.335 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 -3.385 6.770 5.976 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 -2.452 2.925 -2.573 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 1.125 -1.795 6.753 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 2.397 -1.958 9.035 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 4.131 1.127 -0.638 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 -8.891 12.452 -3.391 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 -1.406 -8.613 12.486 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 1.525 -3.099 -1.275 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 2.360 22.465 -22.677 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 -22.992 4.642 19.247 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 -1.343 -3.795 -4.643 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 8.910 -1.403 -6.192 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 -5.431 -13.647 -2.873 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 -0.743 5.516 1.984 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 6.314 5.540 -1.930 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 0.058 21.177 -7.644 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 1.460 -4.152 -2.055 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 0.243 17.897 20.063 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 -4.353 2.667 12.242 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 0.964 -3.560 6.785 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 8.042 27.745 19.748 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 -16.902 -2.986 4.497 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 -6.166 -4.372 -0.428 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 -5.953 -4.401 -9.537 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 -12.107 10.123 9.598 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 4.531 -0.184 -7.237 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 1.334 -3.160 -14.740 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 3.961 8.417 -12.206 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 9.233 1.065 -4.205 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 -10.062 12.311 -13.105 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 22.593 1.240 -0.515 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 2.113 4.692 7.973 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 20.138 17.833 7.479 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 0.001 1.441 -1.128 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 -6.642 -3.250 6.597 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 -7.491 -15.332 9.315 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 5.937 1.173 0.209 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 5.196 1.558 -4.362 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 6.586 3.483 13.211 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 7.338 13.015 -5.134 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 0.137 -1.655 -6.179 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 14.263 -17.286 -3.351 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 4.698 -19.139 -0.175 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 -0.101 -0.963 -1.962 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 0.853 -16.124 6.360 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 -11.631 18.335 -7.132 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 -1.949 3.285 -0.919 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 -0.778 -11.731 -4.682 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 -4.703 12.994 -16.433 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 -2.422 5.110 1.093 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 14.138 -1.594 0.310 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 3.268 5.938 0.886 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 -1.083 -1.377 1.277 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 -2.310 -8.413 4.552 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 -4.655 17.702 -2.055 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 -0.159 -3.462 -1.904 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 -1.525 -11.263 -24.416 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 -18.161 11.816 10.220 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 0.871 1.409 -7.332 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 -3.857 -3.736 -10.834 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 6.434 3.251 -12.531 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 1.456 -2.266 -0.294 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 -9.314 -7.917 -3.032 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 -11.233 17.010 4.068 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 4.647 0.266 -0.760 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 -1.981 3.510 -4.522 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 12.153 -4.065 -1.239 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 -2.177 1.924 3.269 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 5.615 14.216 7.456 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 -13.381 11.874 -11.237 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 -0.527 2.195 7.265 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 0.659 2.111 2.185 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 24.377 3.364 39.129 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 5.703 2.119 -1.858 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 -7.789 -3.136 -20.778 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 11.549 3.194 10.407 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 0.950 -3.457 -3.472 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 -1.179 -10.481 19.714 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 -3.814 18.881 -37.348 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 1.451 -0.202 0.850 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 -13.857 10.317 9.383 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 -6.378 -12.145 -8.243 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 1.770 8.012 -0.538 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 -4.006 -5.557 5.984 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 -5.833 27.184 9.813 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 3.553 2.002 7.473 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 -9.175 7.382 -2.239 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 -2.768 11.069 2.011 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 0.930 2.395 -2.902 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 1.269 5.793 -10.097 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 2.873 -5.666 -4.683 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 8.009 -2.490 4.694 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 -11.779 -4.754 -2.291 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 13.770 -15.075 -2.347 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 -2.694 -3.430 3.977 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 1.849 -2.311 -3.565 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 14.908 -12.636 7.958 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 -6.457 1.189 -5.789 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 -21.569 -10.573 8.119 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 5.716 -1.533 3.913 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 -4.068 3.719 -4.018 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 -14.298 -2.573 -14.043 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 -5.145 2.155 -7.372 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 -1.227 -5.387 -7.721 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 -2.167 -3.886 -7.192 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 -9.042 9.249 -9.114 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 -4.742 1.360 -2.959 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 10.001 -7.367 -11.931 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 -15.537 6.380 13.856 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 -0.663 -1.845 5.184 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 -0.453 -2.235 7.216 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 -1.847 -9.684 2.015 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 0.011 -3.420 -1.054 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 3.715 -3.092 -3.220 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 -2.817 -0.161 -2.834 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 -9.061 2.057 -3.372 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 -8.165 2.148 -0.423 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 -16.181 8.670 6.854 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 3.221 -3.563 -4.109 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 7.406 -8.843 0.453 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 4.279 -8.312 -11.739 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 5.421 3.534 -3.405 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 -14.736 22.688 -16.955 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 9.533 10.113 1.561 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 1.025 0.832 -0.675 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 -8.203 2.992 2.020 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 3.866 3.169 3.779 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 0.514 4.394 -1.293 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 2.077 1.855 9.943 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 -1.678 6.092 1.173 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 8.250 1.304 3.685 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 3.172 -2.394 5.964 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 7.475 -6.818 2.363 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 -1.044 -0.369 -1.643 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 0.263 -14.675 3.986 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 -8.790 8.687 -6.854 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 -5.403 -1.683 -3.164 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 -8.228 2.131 -13.601 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 -6.097 -5.789 -17.175 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 -7.125 -2.754 -0.464 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 -14.682 -0.073 2.090 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 -2.998 -7.891 7.059 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 0.107 2.287 7.525 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 -8.496 -0.627 12.943 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 19.334 -9.389 11.255 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 -2.167 -2.497 -1.613 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 -15.402 -2.681 -10.667 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 2.448 -13.075 1.384 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 -11.259 -1.078 -1.898 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 -13.473 -1.831 -13.054 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 -19.723 -2.067 -5.302 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 -4.021 6.162 3.260 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 -4.010 13.039 3.673 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 -2.975 -22.201 6.250 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 -3.535 -1.455 -2.491 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 23.667 13.462 3.130 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 -16.265 -10.038 -2.164 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 2.330 0.289 3.608 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 0.282 0.283 5.254 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 8.821 5.983 6.635 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 -1.262 3.309 3.994 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 5.629 1.663 -21.111 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 -3.783 3.746 -4.630 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 -2.399 6.653 0.859 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 -9.093 12.355 -13.115 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 -20.142 4.238 -2.510 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 1.483 -1.271 1.419 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 -15.851 14.024 -15.223 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 -0.145 15.432 19.064 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 -2.231 4.291 2.260 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 -9.413 -5.327 -18.054 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 18.806 13.892 -3.214 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 1.363 0.805 1.738 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 -3.269 11.772 17.717 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 0.180 7.013 -15.976 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 0.733 0.363 -2.413 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 -1.196 -0.994 -7.004 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 -3.378 -1.982 1.371 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 -0.912 14.283 2.996 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 -7.906 23.894 3.090 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 -22.609 14.544 -13.007 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 0.348 -5.590 -3.282 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 -0.083 16.204 4.833 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 14.295 -23.849 -0.270 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 4.867 4.084 -5.207 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 -5.964 -0.303 -8.162 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 3.758 -13.241 -6.638 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 -3.105 -1.101 -0.420 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 -1.060 13.315 -7.455 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 12.639 -7.525 10.866 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 2.614 -4.627 1.256 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 8.063 16.424 12.330 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 7.544 20.865 9.512 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 -4.912 1.764 -6.494 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 -25.351 7.291 46.109 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 50.469 -8.542 -4.013 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 0.670 4.289 -4.557 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 14.739 -6.099 5.628 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 -21.679 6.406 -30.343 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 -8.102 2.782 -5.721 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 4.680 -13.871 1.732 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 -6.480 33.009 -19.371 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 0.467 4.050 5.058 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 -9.847 3.049 -29.237 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 23.937 -5.961 5.676 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 7.587 4.801 5.670 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 4.422 11.238 17.671 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 12.528 -4.431 -11.594 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 -2.004 -1.367 5.610 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 6.558 19.378 2.243 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 3.190 -1.060 26.724 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 4.204 0.420 0.943 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 -0.808 -4.087 14.807 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 11.546 -24.925 -4.281 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 -3.734 -0.081 -4.177 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 5.453 -2.082 -6.052 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 1.000 1.732 1.681 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 0.490 7.426 0.129 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 11.092 1.159 10.459 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 -8.361 18.719 0.118 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 -4.872 3.415 -3.096 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 1.578 -9.953 7.257 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 18.446 10.209 -6.404 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 4.498 4.536 -5.161 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 15.371 0.007 -2.842 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 -4.890 2.769 -6.852 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 7.460 0.298 3.239 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 5.989 -15.417 -8.269 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 6.696 14.628 14.009 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 -1.196 4.934 -0.446 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 7.778 3.482 -24.997 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 0.473 34.109 10.299 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 -4.053 -2.200 10.274 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 -2.078 -7.391 8.975 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 -2.820 20.758 -8.231 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 -6.549 4.303 1.481 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 -4.483 5.092 -7.025 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 -6.604 14.163 -16.347 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 2.961 1.974 -3.952 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 3.655 -1.264 -5.824 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 8.754 -5.327 -0.351 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 2.114 2.966 -2.691 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 -24.360 -19.694 -3.902 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 13.112 -9.220 15.482 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 0.843 -0.777 0.272 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 -24.960 -15.444 -22.166 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 14.316 10.797 -8.058 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 1.487 -1.246 -0.159 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 10.876 -14.506 4.685 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 -22.317 17.704 -9.183 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 -2.152 -3.768 -3.905 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 -5.103 4.101 -4.449 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 -17.426 32.397 -2.950 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 3.561 4.999 1.818 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 16.992 13.933 -9.277 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 8.855 5.199 0.036 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 -2.584 3.140 2.337 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 -22.372 -20.050 13.262 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 -12.892 -9.891 -0.048 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 0.064 -2.762 -4.253 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 3.291 6.893 -18.739 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 11.713 -2.792 3.134 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 3.552 -6.058 0.417 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 -26.116 9.307 17.396 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 -8.178 -5.801 3.134 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 -8.815 4.413 0.765 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 -14.238 -4.560 -2.720 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 -7.577 9.454 14.789 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 -4.430 -2.411 6.010 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 4.012 7.731 0.735 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 -10.950 -2.510 -3.994 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 3.569 6.444 7.580 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 -10.581 -3.352 -11.509 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 -2.898 7.515 21.931 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 1.503 6.646 3.390 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 11.279 17.746 -11.441 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 -9.607 -25.054 -12.373 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 -2.798 5.931 1.022 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 18.851 4.619 3.662 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 -6.822 -8.729 -19.652 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 0.807 -2.120 -3.139 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 -20.286 -19.184 24.997 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 5.114 -0.504 -8.075 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 -2.179 -3.306 12.898 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 4.410 0.408 1.188 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 19.403 16.237 3.555 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 0.811 -2.818 -4.745 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 11.427 -19.111 31.468 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 20.422 -11.988 7.867 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 2.003 -0.123 3.671 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 -1.243 -2.049 5.732 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 -0.680 -4.768 9.869 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 1.745 1.329 -2.091 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 -6.496 -14.650 2.119 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 -0.923 -4.630 -1.315 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 3.274 0.333 0.633 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 -7.694 8.908 -6.920 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 0.779 10.070 0.625 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 6.060 2.087 1.023 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 11.070 -17.208 -16.298 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 -19.804 26.326 4.111 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 -2.386 1.201 -2.461 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 0.297 -0.643 -3.342 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 -4.904 6.023 -0.149 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 -0.155 0.248 3.303 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 -5.313 -10.244 2.911 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 1.164 6.904 2.565 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 -3.306 0.210 -0.452 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 -19.414 -17.462 25.926 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 -9.939 -3.629 -8.359 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 -2.454 -3.331 3.051 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 -3.019 11.681 22.433 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 5.144 -5.028 4.489 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 3.113 -1.939 -1.573 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 -5.129 -3.690 2.722 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 4.410 -14.787 3.446 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 1.192 0.035 -2.825 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 12.515 -5.024 11.296 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 -19.561 16.003 -11.604 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 -1.948 1.204 -2.491 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 26.622 14.504 -32.201 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 -10.002 -2.659 7.327 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 3.050 2.758 5.312 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 -2.737 -7.655 11.517 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 1.066 1.681 10.940 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 -2.224 4.743 1.211 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 3.628 2.556 -4.441 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 10.826 -10.038 -18.624 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 -6.833 -8.052 4.246 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 -16.100 11.956 -5.582 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 -3.584 -30.811 9.841 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 -1.103 -7.935 -2.347 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 4.918 -31.080 -8.820 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 -10.115 2.820 7.341 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 6.555 1.687 6.026 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 3.238 -6.765 -3.405 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 -32.531 1.739 -11.432 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 -3.663 -0.460 3.159 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 -8.612 17.595 27.039 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 19.459 -10.542 0.745 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 7.448 -1.946 -3.046 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 14.477 -2.822 -4.420 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 -33.867 -22.644 13.084 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 -3.285 2.676 -1.387 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 -4.506 6.862 5.966 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 -4.212 7.255 -9.122 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 -0.145 -5.684 -3.903 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 -0.075 -5.679 -3.219 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 -0.879 -5.282 -2.744 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 1.302 5.788 -1.747 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 -2.596 -12.279 -1.139 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 11.907 2.531 -7.992 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 -2.012 0.927 5.185 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 16.851 8.411 -6.657 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 9.859 -22.537 5.660 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 -6.233 -2.132 3.955 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 8.820 10.509 4.347 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 -0.845 -6.846 8.117 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 -0.498 2.184 -2.266 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 -16.475 -2.340 -3.420 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 -20.708 7.037 8.775 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 6.440 -5.449 2.475 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 3.979 -4.110 2.885 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 13.300 -12.030 1.989 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 4.069 6.922 2.904 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 5.999 -3.640 8.157 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 16.174 4.802 1.759 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 5.642 -0.098 -0.431 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 4.204 -4.672 -4.308 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 4.861 19.038 -1.733 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 7.710 -2.084 -2.343 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 -7.101 6.545 -34.283 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 -8.606 11.546 -9.724 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 4.955 0.503 -1.462 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 12.340 -7.040 -4.967 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 12.207 17.405 23.454 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 1.918 -6.104 -3.139 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 -4.129 12.933 9.037 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 -7.096 18.759 22.449 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 5.251 -1.095 3.027 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 4.484 -4.061 3.388 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 0.177 3.425 1.526 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 7.894 3.898 -2.929 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 3.104 10.968 2.311 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 8.588 7.802 -9.100 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 1.484 2.044 -4.482 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 -14.034 -18.364 -12.439 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 7.407 8.284 -2.944 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 -3.930 -6.648 3.113 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 -15.659 -9.554 -1.537 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 -5.043 5.108 -14.312 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 -2.698 1.815 3.798 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 -8.575 -8.504 -9.598 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 -15.742 12.630 -3.525 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 4.058 -0.403 -1.438 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 12.051 -0.996 3.247 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 -21.558 7.593 -15.304 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 0.831 2.336 5.820 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 -0.624 -5.054 13.332 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 1.718 14.703 12.759 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 -1.194 -7.722 1.452 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 10.360 -6.196 3.087 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 -0.500 -18.773 -0.843 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 0.223 -0.118 4.099 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 -8.791 -3.317 20.856 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 1.658 -1.754 -29.064 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 0.463 3.613 -5.919 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 -5.311 17.865 -9.914 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 -7.263 -6.439 -16.254 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 1.900 -0.025 3.091 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 10.288 -18.996 -9.634 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 3.067 -13.695 -4.660 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 4.353 -2.102 -0.982 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 -18.440 9.094 2.540 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 0.304 -2.197 -2.429 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 -3.833 1.799 -3.153 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 -7.155 -11.719 0.785 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 20.411 10.944 -13.223 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 5.758 4.382 1.922 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 15.594 -18.278 20.497 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 3.670 -1.558 9.563 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 4.017 4.087 6.735 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 -10.876 -10.041 -20.434 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 16.862 3.947 30.125 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 0.565 -0.154 2.034 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 18.429 6.880 -3.380 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 10.442 -6.554 23.949 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 -1.443 5.546 -0.938 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 -1.896 27.758 13.023 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 -0.084 -11.610 -13.130 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 3.418 2.884 -0.714 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 5.683 -5.159 14.894 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 17.159 1.304 -12.924 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 2.355 -2.839 -4.381 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 24.594 17.419 6.251 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 -28.103 -12.709 -30.361 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 2.509 -7.972 8.624 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 7.760 4.925 -3.014 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 21.915 -5.496 12.781 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 -1.876 -0.022 2.391 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 1.464 4.385 -11.119 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 1.352 -0.982 -13.790 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 2.734 -2.739 -2.066 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 5.396 -17.114 -2.307 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 29.077 10.557 23.613 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 -1.435 0.322 -2.391 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 -4.811 13.512 9.567 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 -2.195 -4.740 5.551 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 0.525 2.596 -1.711 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 10.121 -2.435 -5.234 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 5.467 10.694 -3.127 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 2.169 1.133 4.166 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 5.211 21.705 24.304 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 -3.228 6.132 -10.336 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 0.856 -0.391 1.663 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 -1.773 -3.434 17.982 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 12.252 16.870 10.900 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 10.455 1.006 -3.067 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 -21.639 -7.374 -20.752 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 24.122 27.406 -19.422 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 -2.326 -0.400 -1.012 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 -11.533 3.102 -0.354 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 3.712 21.466 15.572 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 0.672 6.993 5.985 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 -7.768 9.033 -3.731 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -4.622 3.061 16.069 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 -8.626 -6.547 -2.381 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 0.166 -12.660 7.744 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 -21.112 -0.177 -11.453 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 -0.021 -1.607 3.528 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 6.087 -8.318 2.835 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 -1.882 0.026 -3.974 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 0.615 -3.747 1.442 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 3.947 -16.149 -12.838 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 -11.273 -6.082 -21.410 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 0.046 -1.732 -0.697 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 -12.582 -15.847 0.805 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 10.985 8.955 1.720 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 -2.665 -0.790 2.374 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 -10.717 -6.906 -26.379 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 1.532 1.947 13.815 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 -5.553 -0.728 -1.395 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 21.580 -12.895 10.035 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 9.516 10.794 -5.306 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 -5.862 -5.641 -10.999 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 -3.950 -18.765 -27.509 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 1.468 -3.271 -6.488 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 1.411 -3.901 -1.809 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 -1.464 -2.516 -11.882 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 17.727 7.165 36.302 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 3.863 -3.931 -2.467 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 -8.552 0.095 -8.949 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 7.845 -0.339 3.836 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 2.591 -2.110 -8.239 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 2.161 1.750 -13.923 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 9.045 -0.704 -5.811 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 1.144 -0.396 -1.079 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 -3.432 -4.804 -4.958 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 -21.692 2.916 1.316 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 -0.718 4.685 -0.370 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 12.772 -6.930 3.352 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 -8.868 -1.207 -16.368 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 7.392 5.046 0.878 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 18.318 -4.555 -1.271 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 31.481 -15.124 9.812 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 -4.145 -1.081 6.360 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 -3.649 -11.127 -6.113 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 -2.736 -8.601 -5.585 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 2.410 -1.660 8.405 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 -0.461 0.544 0.890 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 5.201 -4.863 -14.944 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 1.655 -1.077 4.014 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 -19.859 7.157 -10.135 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 -8.573 22.091 -18.782 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 4.482 2.450 3.296 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 7.635 12.436 -3.955 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 -1.571 1.408 5.843 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 -1.467 3.329 0.651 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 7.338 32.434 -5.301 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 -8.400 -18.346 1.340 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 -0.154 0.410 -2.850 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 -1.024 2.092 -7.153 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 -4.617 8.294 -14.407 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 0.362 4.796 -0.423 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 3.256 -18.416 1.230 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 5.295 -10.145 1.298 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 -5.425 1.931 2.795 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 -7.916 5.005 -12.242 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 2.071 3.710 -4.243 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 2.675 -3.839 2.526 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 -1.960 -0.711 3.904 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 -20.638 11.534 9.233 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 4.745 -0.085 5.502 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 -12.545 9.423 11.198 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 19.879 5.047 17.450 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 5.076 -2.704 -1.850 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 1.363 -10.170 6.340 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 2.821 -6.657 2.450 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 3.245 5.857 1.587 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 -5.859 3.836 -2.624 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 -6.990 6.598 -3.325 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 -1.929 0.185 -0.842 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 7.458 -6.566 11.560 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 3.170 -8.318 -12.419 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 -2.207 -3.173 4.056 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 9.985 12.222 -2.431 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 -4.798 -5.458 5.807 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 6.037 4.623 4.034 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 13.922 8.460 4.659 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 2.080 -18.572 13.885 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 1.204 -0.630 -4.552 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 3.014 -6.939 11.647 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 6.218 -13.593 12.948 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 -1.868 -3.252 -1.593 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 -5.559 -5.534 1.257 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 10.624 -4.808 -6.954 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 4.928 -8.906 -4.665 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 9.133 -35.213 2.378 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 2.378 -14.095 -7.892 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 -2.577 -4.121 -5.994 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 9.499 -3.629 -10.103 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 2.728 6.034 -1.395 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 -1.281 5.546 3.130 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 -9.645 -2.469 8.640 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 -15.318 12.667 -2.949 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 3.713 0.890 0.845 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 0.522 12.313 10.885 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 3.219 1.466 1.051 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 2.650 -3.299 10.572 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 0.410 -5.169 12.085 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 1.270 3.138 13.781 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 4.779 -0.596 -5.122 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 7.276 4.520 -4.584 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 8.038 -3.496 -1.290 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 -1.830 3.619 7.163 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 1.872 -5.299 3.402 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 -8.774 -2.564 21.363 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 4.412 0.331 1.890 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 -5.193 -6.129 -5.448 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 -8.173 -8.083 -7.735 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 3.967 0.533 0.955 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 1.495 5.775 -7.804 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 -2.606 4.152 9.068 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 -3.812 2.254 -3.554 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 -6.525 2.693 -5.136 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 -1.101 -13.941 0.480 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 0.736 3.525 -8.686 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 -5.005 -3.637 -3.975 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 -0.782 11.713 -3.842 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 -2.353 -5.480 4.425 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 11.127 -6.207 -2.227 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 -10.596 -0.681 -14.044 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 3.252 -3.263 0.003 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 -2.551 -9.545 7.014 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 7.501 -0.155 0.579 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 3.452 -9.370 3.894 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 -6.573 -12.490 4.120 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 17.959 -10.669 -3.734 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 -1.674 -0.074 0.282 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 -12.833 -14.742 -6.047 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 14.110 17.479 -6.733 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 2.868 -4.798 -0.476 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 19.286 21.478 8.302 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 -1.582 6.742 12.270 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 4.773 0.491 2.754 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 -1.092 5.921 2.665 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 -4.360 7.726 -7.654 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 -2.682 0.653 4.097 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 -13.811 -6.034 -20.122 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 -4.189 4.366 4.433 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 4.932 4.210 4.218 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 12.804 -0.969 -7.368 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 4.752 -10.904 -12.470 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 3.795 -6.790 2.051 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 -14.249 -5.891 2.614 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 4.937 10.164 -3.937 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 -0.130 -2.867 -7.388 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 13.905 -2.503 -7.919 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 -5.094 -4.354 -10.911 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 -4.016 -0.963 -3.093 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 -1.630 12.903 -0.105 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 -15.738 6.067 6.212 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 3.492 -6.487 -5.521 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 -12.875 10.119 -15.071 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 -6.118 -6.742 8.718 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 3.905 3.065 -0.045 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 1.627 -9.546 14.199 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 6.304 13.741 1.173 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 7.417 -1.125 -2.906 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 1.125 1.220 -4.483 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 -9.241 -0.412 -0.169 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 1.233 -3.375 1.901 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 4.763 -9.800 -0.348 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 -12.819 -3.431 -17.613 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 3.738 -0.574 -0.052 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 6.385 -10.153 -4.150 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 21.492 -3.946 11.761 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 -7.580 -2.588 1.436 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 -5.616 -21.190 11.807 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 -6.902 17.339 8.277 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 -0.265 -9.657 5.250 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 -4.010 -6.474 -1.278 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 12.120 4.232 -8.580 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 -3.556 -1.748 -1.371 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 -0.529 -38.048 -13.050 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 -9.750 -18.066 -6.713 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 8.782 -9.513 -4.423 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 8.857 6.257 7.273 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 -3.227 -18.674 -9.098 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 -1.000 -0.950 0.293 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 6.903 -11.832 -8.137 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 12.383 10.900 -19.384 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 4.939 4.158 -2.911 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 16.415 -14.489 -5.171 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 0.374 11.401 -4.677 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 -4.618 -0.610 5.444 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 2.175 -25.112 11.576 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 -3.740 7.058 1.160 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 1.408 7.026 -5.469 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 3.938 11.045 -7.435 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 -1.619 -2.651 10.486 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 3.995 -1.369 -3.197 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 -31.763 -5.479 0.931 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 4.840 -9.594 8.314 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 -0.806 3.613 3.316 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 -10.661 0.851 -2.405 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 6.050 -7.009 11.132 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 -0.169 1.228 2.838 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 -1.071 -0.920 3.126 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 -4.365 -2.473 5.013 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 1.156 -0.992 0.354 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 18.310 20.387 8.149 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 -14.038 -19.649 -4.226 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 0.448 -1.009 -0.168 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 1.808 4.904 0.476 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 -5.522 -0.296 -1.430 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 0.807 0.949 -0.545 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 -6.239 1.148 -6.543 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 -13.614 -13.882 -5.274 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 -3.131 -2.731 0.231 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 -11.691 16.184 -2.921 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 -8.462 14.151 -20.869 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 9.324 0.979 -6.917 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 7.530 3.742 2.679 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 10.165 -17.379 11.216 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 -2.946 -6.515 -1.140 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 14.064 -4.164 -2.045 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 2.141 -12.064 -12.682 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 7.600 0.903 5.654 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 -7.679 -11.567 -11.344 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 7.465 -8.060 9.873 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 -4.069 -0.785 2.529 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 7.907 -6.278 11.767 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 -6.272 -9.092 -3.776 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 2.244 -3.945 0.254 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 -1.082 -3.096 5.427 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 -6.412 -11.958 -24.134 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 1.486 0.350 -3.419 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 11.061 13.205 -3.038 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 2.919 -0.482 0.490 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 2.108 3.945 1.468 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 -14.010 12.378 10.182 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 -0.824 15.250 -8.469 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 -4.876 -2.219 4.684 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 -4.877 -8.839 -2.827 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 -7.715 -0.895 16.439 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 -3.817 4.923 -0.954 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 -6.911 -12.222 -2.361 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 8.009 10.481 -2.498 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 -2.508 0.742 -0.007 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 -9.793 4.454 13.808 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 8.402 40.409 -8.116 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 -4.213 5.462 -5.006 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 -4.410 6.216 -4.344 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 -4.582 -5.971 -6.765 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 0.498 2.049 -2.967 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 -10.051 -2.497 5.666 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 17.647 15.002 3.715 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 -3.548 0.306 2.932 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 0.098 -23.458 -15.211 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 -16.772 2.273 -6.555 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 3.563 3.049 2.984 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 0.513 -4.099 -1.632 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 -6.939 13.226 4.398 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 -6.814 -6.520 2.721 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 -20.487 -20.714 -17.625 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 42.382 -10.779 -2.794 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 7.002 0.468 3.558 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 8.932 1.008 2.144 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 11.692 5.146 -3.247 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 -0.584 -3.195 -0.726 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 18.377 4.329 -5.504 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 -7.904 -5.071 -3.307 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 1.584 -1.703 4.675 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 6.418 14.838 3.293 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 8.593 2.461 6.139 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 4.939 2.667 -5.883 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 4.468 -3.244 -1.025 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 -10.298 -15.090 15.041 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 -2.625 1.050 -0.715 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 3.691 6.456 -16.041 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 19.337 0.241 9.579 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 0.001 5.195 3.644 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 18.693 19.797 -0.154 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 9.230 -16.589 -2.255 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 5.196 4.443 4.880 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 14.122 0.126 16.264 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 15.039 8.463 11.200 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 -6.433 3.508 -3.992 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 -4.354 -20.983 -0.932 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 -25.251 15.213 11.710 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 2.894 -6.451 -1.623 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 3.148 -10.173 -13.718 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 8.716 -17.856 8.053 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 3.671 0.102 -1.544 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 -10.567 -36.599 2.706 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 -5.269 9.053 26.312 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 3.635 -1.497 -7.753 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 12.937 16.668 1.597 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 3.160 -17.544 -19.914 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 -3.948 -2.626 -2.896 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 14.013 -3.399 -1.198 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 25.037 18.057 -6.052 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 3.872 -3.026 3.935 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 3.279 -0.407 -3.993 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 14.574 -2.642 1.675 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 7.547 -0.354 5.744 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 -1.605 35.461 13.776 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 6.349 20.896 -12.446 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 0.915 -2.890 4.110 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 7.801 -12.971 3.811 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 -3.183 9.773 18.797 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 0.220 3.464 -3.395 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 -17.376 1.016 0.380 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 7.423 -15.269 11.082 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 1.290 -2.853 4.708 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 11.452 1.768 11.269 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 6.931 -13.312 -3.716 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 -7.469 7.155 5.677 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 -3.305 5.884 3.865 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 1.072 2.108 2.600 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 -0.575 2.075 4.350 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 19.623 33.117 -25.048 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 -8.468 -0.671 6.677 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 -1.692 1.696 0.027 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 10.622 -11.710 20.419 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 -13.853 -2.053 5.665 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 -0.842 0.821 10.397 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 23.082 -14.775 -0.104 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 15.665 7.024 1.490 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 -0.490 -6.606 6.344 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 -6.187 -13.991 -6.694 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 7.347 2.640 28.465 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 3.678 1.823 -3.137 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 -5.087 2.596 8.750 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 9.493 15.219 -4.396 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 -0.949 2.279 4.865 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 -2.808 3.033 7.261 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 -1.412 -0.864 2.993 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 1.113 1.263 -0.936 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 15.234 10.278 -11.372 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 -8.978 -24.967 9.686 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 -9.449 7.257 -0.653 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 8.702 -13.792 -2.215 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 -29.704 3.239 21.154 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 8.450 -1.855 -1.466 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 7.905 -2.285 6.460 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 -15.985 -18.661 5.417 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 0.095 0.826 11.695 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 -5.874 -6.480 -1.165 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 -6.792 -5.045 -0.424 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 -0.540 1.711 7.732 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 11.516 -9.704 -9.840 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 -9.691 10.191 16.546 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 4.677 -0.742 -0.208 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 8.910 1.126 1.449 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 7.196 -0.181 0.627 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 2.483 7.572 3.332 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 -23.260 -4.196 3.846 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 -8.966 15.401 -9.234 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 0.736 -0.665 -1.297 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 1.552 1.840 -6.103 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 14.963 -23.025 25.324 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 -3.159 5.009 2.448 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 -10.910 11.273 2.754 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 3.205 7.670 -8.781 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 3.023 -4.615 -2.170 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 26.150 15.178 -8.215 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 5.542 -8.053 0.412 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 2.139 2.129 -0.069 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 11.714 7.884 6.630 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 4.001 3.154 -1.668 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 8.845 -4.517 4.677 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 5.577 8.443 3.703 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 5.648 -21.919 0.363 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 -0.699 -3.872 0.022 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 -22.693 -10.225 -31.355 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 -12.871 -8.662 -24.751 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 2.255 5.367 -0.637 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 -3.269 8.108 1.687 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 5.865 8.482 7.358 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 2.292 -0.255 9.219 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 -3.783 -19.173 -7.647 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 7.199 12.987 21.929 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 -2.359 5.607 1.984 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 -0.061 6.783 -14.244 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 6.015 7.456 -23.997 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 -3.124 6.556 2.433 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 -2.376 2.982 12.412 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 -1.618 4.331 6.911 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 -2.554 3.250 5.518 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 6.031 11.928 8.511 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 -16.859 -13.429 -1.715 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 0.517 -0.673 -2.738 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 -6.730 -7.530 -15.863 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 3.354 6.709 12.934 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 3.501 2.102 -4.810 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 -7.371 16.034 0.750 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 3.899 -1.272 -0.802 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 -1.821 0.653 -0.488 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 2.453 2.068 17.267 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 -7.802 2.583 3.839 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 -3.224 -8.807 3.339 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 -0.755 0.963 0.915 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 2.350 -14.164 -9.886 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 1.816 -2.871 -1.126 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 -0.888 -15.597 5.221 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 4.034 -2.917 -5.608 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 4.903 -1.527 4.805 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 33.630 1.282 8.630 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 1.924 -0.967 5.228 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 -2.293 -5.633 -0.640 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 -1.819 -17.357 -17.850 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 -19.792 4.093 4.785 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 -3.802 3.457 5.896 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 3.894 -2.471 8.032 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 -4.776 2.697 5.446 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 -1.576 3.879 -6.593 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 0.902 1.827 -1.331 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 5.765 -1.527 -15.403 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 3.521 0.871 -4.518 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 -9.247 -8.079 2.211 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 -0.677 17.775 -4.747 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 2.726 -1.909 -5.900 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 19.082 -8.614 -14.161 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 4.818 -3.403 -7.383 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 2.953 0.320 -1.035 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 -4.282 26.024 8.106 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 9.531 -18.267 -4.869 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 0.378 5.694 3.563 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 2.875 4.997 1.453 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 -2.977 0.605 3.825 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 -7.600 0.194 2.710 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 -11.523 1.760 -6.175 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 -3.700 -1.255 20.935 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 5.419 1.239 -6.080 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 -6.936 -4.197 -15.137 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 -8.160 -11.621 5.479 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 -7.259 6.782 -0.190 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 4.332 -14.998 10.515 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 9.768 21.889 -5.316 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 -4.504 0.552 -0.487 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 -1.735 -5.228 8.567 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 -9.510 0.839 -2.462 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 6.231 -0.859 6.337 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 14.799 -14.182 -8.038 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 5.372 -5.140 12.948 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 -0.502 -0.859 3.725 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 -8.436 11.254 -5.382 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 -10.679 -31.751 6.989 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 1.807 -9.846 -6.505 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 -19.343 -5.827 -4.626 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 11.943 10.969 -7.166 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 3.493 1.471 3.211 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 1.581 -3.088 11.633 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 -1.693 -16.856 3.781 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 -4.432 0.759 4.552 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 0.388 -1.413 5.708 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 -5.725 -0.075 -7.657 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 -0.757 2.283 -5.146 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 2.717 -4.627 -3.490 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 -0.798 6.811 1.525 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 -5.137 -0.933 -1.381 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 -21.405 -3.102 6.095 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 -9.138 5.839 15.459 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 -0.046 0.931 -1.028 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 -15.069 -8.900 -8.974 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 -7.158 -3.022 -2.337 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 1.150 3.111 3.299 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 3.322 8.005 -4.042 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 5.010 -5.723 4.745 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 -0.636 1.708 2.459 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 -7.503 4.728 5.018 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 0.253 2.088 1.510 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 -0.873 -0.062 -0.148 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 14.156 3.996 0.543 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 2.604 -16.986 -6.334 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 2.612 -2.739 -1.908 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 7.971 -10.779 -2.391 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 -1.080 16.310 15.661 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 -2.644 3.999 5.215 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 24.240 -16.621 -8.492 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 0.466 -15.567 -9.124 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 4.904 7.112 -0.572 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 -16.039 -6.896 -1.588 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 16.931 33.832 -5.133 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 -4.660 -1.248 -1.925 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 -4.544 6.428 -1.637 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 -2.192 -14.320 0.270 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 4.154 3.294 4.602 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 -8.093 -6.859 19.612 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 -12.411 14.542 -16.933 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 -5.614 -9.761 -2.800 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 -24.541 12.563 2.544 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 -3.186 -13.106 8.474 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 -1.043 -2.968 0.074 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 8.199 -3.690 8.671 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 -4.714 -1.263 -5.053 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 -2.020 1.004 -0.626 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 -13.964 -8.229 -2.821 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 22.853 16.659 5.075 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 -0.160 -3.666 -0.542 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 4.948 -1.528 5.560 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 4.235 -7.027 -7.211 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 4.897 -3.836 -4.604 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 9.061 31.319 31.303 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 -15.887 4.743 1.132 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 -0.955 0.651 -5.102 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 19.158 -7.911 -20.873 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 1.570 14.617 1.488 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 -4.273 3.374 0.211 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 -9.632 10.639 -11.218 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 -8.018 11.039 11.507 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 0.649 -1.049 -3.134 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 -14.148 -3.858 3.816 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 -4.306 3.613 4.564 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 10.797 -1.296 6.970 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 10.294 6.351 7.165 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 10.182 7.857 6.705 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 5.121 1.180 2.433 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 3.796 -10.727 9.014 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 17.995 3.435 3.471 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 1.607 2.915 -4.811 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 5.439 9.194 -2.996 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 -1.114 12.946 -8.046 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 -0.716 -4.557 1.894 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 -3.417 -29.552 5.951 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 26.864 2.220 14.140 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 1.041 -5.609 3.496 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 13.826 4.953 -29.616 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 -3.494 -12.564 -17.034 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 2.448 -5.549 -0.783 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 -7.485 4.346 -15.826 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 -5.286 -17.816 -1.717 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 1.047 -7.509 -3.457 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 -8.562 -13.187 15.948 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 2.344 -8.604 -4.325 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 2.426 0.478 4.574 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 6.206 1.767 19.924 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 3.329 0.787 7.823 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 -0.049 3.385 3.473 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 1.124 -31.831 8.426 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 2.784 6.456 2.140 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 0.201 -0.191 0.000 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 -3.493 -3.459 -17.852 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 -29.422 -7.079 15.321 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 1.669 -0.850 -3.270 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 -4.911 -22.580 3.985 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 6.353 0.034 2.336 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 0.778 2.559 7.156 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 32.085 -10.067 -2.434 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 -11.702 6.172 14.494 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 2.131 11.927 0.351 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 8.306 19.659 17.140 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 -4.010 -2.467 -21.050 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 -1.206 -4.197 3.470 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 -29.906 2.201 13.763 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 -8.703 -7.237 10.799 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 2.257 -3.335 10.036 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 -12.415 -0.286 -9.353 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 -12.986 -1.557 -7.929 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 0.905 5.725 2.259 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 0.898 23.373 -4.822 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 3.144 -4.257 15.031 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 1.686 1.612 1.266 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 1.186 -4.052 6.025 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 -2.490 -4.675 -15.275 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 -12.052 -0.374 -0.540 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 -10.498 0.822 -5.434 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 -11.345 0.330 -1.733 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 -4.885 1.326 -5.213 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 -12.636 1.720 -0.574 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 25.641 -9.194 -19.971 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 -1.698 -4.942 -1.820 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 -13.028 -31.903 -17.813 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 1.387 13.709 17.249 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 2.840 -0.254 -1.888 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 -2.021 -33.606 5.239 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 24.012 21.645 -5.580 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 -3.596 -4.765 0.848 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 -6.357 8.154 5.903 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 -5.853 5.741 5.004 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 4.435 1.877 1.581 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 -8.210 -3.643 4.643 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 8.795 -7.704 -8.782 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 0.141 1.504 3.976 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 -7.587 7.906 -7.290 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 -12.636 11.258 12.980 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 -9.568 5.421 -3.207 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 -22.815 -27.263 0.870 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 -28.250 -1.716 10.286 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 -1.684 -0.465 -0.931 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 -9.474 -13.659 -24.471 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 0.146 10.778 6.196 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 -2.183 3.255 -2.940 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 -3.853 4.209 3.244 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 0.075 14.626 -12.544 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 6.998 -5.116 0.679 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 7.751 -15.128 -1.796 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 9.082 -20.887 12.793 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 1.054 -1.404 -2.971 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 15.479 14.334 -3.040 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 9.777 10.145 0.929 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 -10.548 4.030 -7.709 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 -3.282 2.762 -16.254 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 11.750 -11.218 20.505 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 -5.718 -1.527 0.072 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 1.694 12.828 27.704 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 -15.484 -3.830 4.418 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 1.871 2.797 -5.358 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 -6.835 3.553 -5.267 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 -6.697 4.096 -4.010 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 -4.637 2.811 0.556 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 -4.576 -7.791 -5.321 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 14.247 21.359 11.733 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 2.954 -2.614 2.802 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 17.134 2.332 3.431 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 21.298 -8.271 5.309 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 -2.898 -0.312 -1.975 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 21.148 1.310 5.290 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 2.840 1.378 1.235 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 -7.267 -2.342 7.393 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 -4.359 -3.691 3.030 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 -3.233 -3.454 13.232 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 -2.566 4.594 -1.067 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 13.016 13.948 2.076 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 -17.127 6.272 -7.931 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 -0.603 4.450 -6.501 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 -7.390 -8.041 -12.438 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 -7.109 1.322 -1.021 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 0.698 -3.102 -3.295 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 -4.370 -2.578 -4.890 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 1.474 -1.342 -7.774 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 0.813 -0.705 2.195 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 -13.592 15.890 12.459 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 9.552 -12.717 18.075 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 3.388 5.027 -3.640 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 14.077 -20.227 1.804 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 -25.146 -5.695 -45.952 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 -1.838 0.168 -8.618 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 -3.064 3.784 -10.176 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 1.915 -11.759 -1.534 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 2.411 -1.732 0.765 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 6.667 0.202 5.007 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 5.017 -1.880 3.035 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 3.268 4.779 1.352 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 5.454 12.402 11.240 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 -7.420 21.525 15.615 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 2.095 1.788 8.952 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 3.509 -6.157 0.611 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 -20.230 19.051 -5.936 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 4.363 -1.096 3.394 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 12.603 7.022 -0.519 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 -2.602 -8.080 8.263 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 3.832 -2.407 -1.886 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 -0.530 -2.325 9.842 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 13.264 14.075 1.061 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 -4.270 2.677 1.052 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 -4.887 -0.364 -1.306 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 -0.582 -6.150 17.722 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 0.284 -0.883 0.801 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 -7.954 -0.510 -0.610 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 1.524 -1.382 1.060 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 -5.873 -0.114 4.061 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 -11.291 0.890 -3.938 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 -16.412 -12.922 11.233 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 0.648 -1.470 -0.137 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 6.707 -3.955 5.014 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 4.382 -4.405 -17.328 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 0.357 12.486 2.662 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 7.720 6.116 2.547 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 10.084 15.823 -6.429 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 0.075 4.082 -4.470 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 13.593 4.631 1.333 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 -11.684 13.369 1.664 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 -2.930 -0.779 1.025 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 17.251 15.172 -2.076 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 -12.574 -10.314 0.170 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 -0.490 4.959 -2.819 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 -6.094 24.708 1.833 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 12.062 7.900 -4.633 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 -3.928 -3.706 -1.071 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 12.392 -19.348 0.778 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 -15.495 3.365 -7.942 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 6.803 -4.225 0.919 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 5.477 -3.546 -6.095 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 26.579 -1.239 1.345 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 4.566 -6.739 -0.802 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 12.387 -10.560 13.799 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 -20.116 -28.948 4.684 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 0.805 2.651 -1.299 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 -0.361 -0.912 4.958 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 6.583 2.828 -6.301 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 0.746 2.647 -5.567 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 -2.959 2.413 -5.091 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 -2.283 0.336 -8.573 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 -0.544 -7.252 -3.029 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 -6.241 -10.660 -23.285 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 11.133 -5.209 -25.080 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 -6.183 -3.223 -3.549 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 -13.790 -3.814 0.900 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 -6.786 -2.417 0.097 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 -3.434 1.983 -0.608 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 -15.224 1.731 2.063 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 3.626 -9.933 -4.278 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 -3.239 3.001 -9.547 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 -12.178 -16.472 -13.766 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 1.035 3.487 1.493 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 8.501 -1.568 2.421 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 21.094 24.319 -2.811 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 -15.660 -1.862 -21.666 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 3.754 2.505 -6.163 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 5.320 -7.399 -14.602 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 2.648 -7.505 -25.167 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 3.304 -2.186 2.555 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 4.403 0.372 -5.322 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 6.896 0.381 3.235 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 1.301 2.916 2.706 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 -25.008 24.418 15.117 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 -11.915 13.040 8.073 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 2.724 0.480 9.813 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 -5.227 -0.164 5.537 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 4.748 4.271 -2.258 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 3.740 -1.599 0.849 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 6.428 6.131 -10.319 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 13.911 16.993 -2.531 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 8.417 -2.669 -4.316 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 15.346 -0.572 -11.838 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 -0.151 4.439 13.717 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 -0.060 1.089 8.185 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 -9.962 -14.611 16.814 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 18.617 -12.638 10.471 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 0.216 0.210 -4.569 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 -14.992 -5.673 -1.385 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 -18.881 -6.557 2.627 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 8.566 -0.813 3.301 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 -0.547 11.074 -2.200 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 10.691 -10.289 -7.733 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 -1.543 4.618 1.341 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 10.170 -0.282 -8.560 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 -9.090 2.043 4.134 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 4.109 4.684 -4.559 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 -0.275 5.113 6.702 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 30.036 10.410 12.972 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 -4.990 6.651 2.286 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 -4.194 -9.972 2.438 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 -9.924 -14.491 0.283 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 -4.702 5.715 1.071 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 -0.681 4.907 -1.888 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 2.028 10.179 13.722 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 3.665 -0.885 -0.855 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 9.079 2.498 -5.669 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 2.238 3.822 5.498 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 1.537 1.957 1.392 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 5.663 3.799 -2.945 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 2.392 -0.271 5.000 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 -3.288 -2.453 -3.851 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 2.221 3.523 16.061 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 25.204 2.876 -12.471 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 -5.690 3.307 0.939 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 -1.730 4.170 -0.812 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 -14.797 1.623 9.257 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 1.790 3.633 -2.971 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 12.727 3.417 -11.821 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 -3.980 -2.128 -18.925 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 5.062 3.245 0.305 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 17.567 2.152 -1.715 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 -10.713 2.888 13.039 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 -1.323 1.695 1.228 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 -2.715 -2.965 -1.218 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 3.128 12.296 -3.804 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 2.865 4.295 -1.473 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 3.888 10.590 14.978 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 12.889 6.791 -1.169 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 0.429 1.879 7.135 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 24.328 -14.064 7.714 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 2.715 -19.640 6.992 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 1.262 2.589 6.660 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 4.587 3.786 5.219 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 -10.874 0.073 10.728 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 -3.589 -1.304 -7.974 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 22.961 -24.253 -29.839 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 -4.155 -2.121 -10.795 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 -5.449 6.853 -5.185 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 8.623 17.795 6.255 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 -18.435 -8.488 0.474 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 -2.222 -1.748 2.654 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 -7.100 -0.645 4.462 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 -22.879 6.733 16.746 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 0.768 -0.086 0.543 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 6.378 -7.472 -6.816 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 14.004 8.542 0.927 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 0.034 -3.029 -5.277 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 5.854 -2.356 5.584 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 21.074 3.284 -11.015 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 -1.470 -3.103 1.669 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 4.598 -5.651 -11.587 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 -9.139 6.871 -16.610 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 1.955 0.485 0.086 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 9.347 -2.609 -0.312 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 -2.726 -35.944 19.973 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 -1.596 -2.252 6.509 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 -13.836 18.104 7.559 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 -9.314 27.575 -3.606 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 -2.344 -3.074 1.563 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 -13.154 1.652 11.289 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 2.231 -11.979 -6.115 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 -0.993 1.147 -1.845 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 31.108 -9.814 -0.225 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 1.280 19.020 -14.551 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 0.894 -4.346 -5.081 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 -13.381 -6.123 -9.502 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 5.605 1.635 0.835 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 -5.000 3.332 2.527 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 15.144 -11.948 16.013 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 15.253 0.553 10.426 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 -2.361 -8.504 -2.942 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 1.883 22.330 18.294 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 -4.849 -28.112 -4.431 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 -0.741 5.824 -0.967 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 -12.044 -3.815 -24.390 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 -2.560 7.926 -27.185 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 -1.510 -3.724 3.025 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 1.068 7.191 2.828 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 4.652 -8.052 -6.730 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 -1.035 1.043 0.956 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 12.613 1.000 -24.665 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 -3.715 -10.611 7.776 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 -2.757 -0.470 -4.472 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 -12.977 9.876 -4.224 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 -5.638 -1.677 7.716 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 8.798 5.255 -1.683 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 -3.350 11.160 7.683 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 8.622 -11.486 3.134 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 -1.028 -6.028 0.501 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 -0.403 -10.513 5.349 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 -9.182 -5.113 12.967 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 5.251 -0.642 4.031 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 -5.071 -25.055 5.672 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 3.782 -7.895 8.746 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 2.246 1.917 0.644 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 3.525 3.211 -8.983 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 -4.666 -3.591 -7.154 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 4.419 0.963 -1.788 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 0.428 11.718 9.795 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 7.710 13.221 -27.330 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 -2.562 -0.693 -8.098 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 5.745 -5.671 -25.793 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 1.085 4.470 4.600 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 4.951 2.339 5.930 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 7.156 3.599 -0.126 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 8.280 4.472 -12.913 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 -3.840 -1.846 -4.182 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 -10.166 -17.955 -12.029 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 0.283 11.379 -16.656 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 1.866 -0.059 6.354 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 -14.305 -6.920 -7.375 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 5.398 28.891 9.592 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 3.559 9.200 -5.964 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 0.004 -0.327 1.555 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 -2.181 13.752 -7.031 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 8.876 -1.499 -1.469 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 7.549 2.017 -0.820 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 -4.240 3.109 -4.487 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 0.964 -0.381 -2.343 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 0.897 10.803 -3.725 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 -7.194 -5.195 -1.711 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 2.679 -2.264 4.446 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 1.012 -26.280 3.346 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 -7.096 3.219 3.859 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 -7.933 2.628 4.263 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 -10.159 3.432 4.105 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 -33.414 9.144 -0.784 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 3.882 -0.179 8.205 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 10.153 -10.720 -10.134 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 -17.708 16.640 -17.279 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 -4.612 -1.179 -1.096 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 -6.452 -15.038 -26.084 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 -8.048 2.986 18.834 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 2.152 -3.994 1.946 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 9.386 3.712 -5.946 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 10.005 -10.960 12.934 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 3.069 -0.154 0.431 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 5.156 5.861 -16.416 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 -12.995 0.293 6.359 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 1.245 -2.170 -4.481 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 -0.458 -2.658 -5.094 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 -4.877 0.109 -8.499 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 -1.080 1.103 -4.819 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 14.764 -2.573 13.830 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 -5.962 -5.092 -8.298 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 1.134 -6.583 0.813 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 -3.221 -9.084 -9.644 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 11.229 -18.712 0.925 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 -1.905 -1.291 -2.944 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 -3.763 6.783 -7.157 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 -5.191 -4.292 3.484 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 2.446 1.204 2.751 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 20.769 -8.962 10.330 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 -30.894 24.440 -24.786 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 -1.785 1.397 0.728 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 17.955 -21.136 -3.556 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 -19.534 -0.240 -1.335 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 -7.149 0.895 -0.041 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 -3.961 13.268 -6.931 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 4.137 0.605 -2.895 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 2.748 -2.268 9.450 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 -1.831 -9.761 13.895 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 2.779 6.676 9.428 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 -9.803 -4.534 4.189 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 20.791 -18.202 14.969 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 10.701 -0.322 7.824 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 2.294 2.821 -1.970 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 2.464 2.825 -3.364 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 3.392 2.445 -3.721 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 0.364 -0.332 1.237 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 3.639 -8.555 -0.073 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 1.464 -8.666 -2.659 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 -1.436 -7.145 -0.703 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 -2.021 -6.759 -0.779 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 1.269 -14.041 0.267 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 5.725 1.535 -2.349 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 -1.544 11.577 0.657 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 -4.059 -6.337 -0.936 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 -1.142 -2.193 -1.328 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 7.718 -4.873 -10.523 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 -7.089 5.938 -3.889 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 -3.755 -0.418 -0.293 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 -10.209 4.117 11.656 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 8.142 0.811 -1.567 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 -6.165 -1.751 -4.469 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 10.196 -24.654 13.816 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 -10.217 5.818 14.807 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 -4.530 -3.226 3.095 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 -5.399 14.861 -6.553 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 -6.727 15.181 -3.225 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 -1.703 4.325 -0.474 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 -16.742 -10.128 -3.599 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 27.391 -1.542 4.391 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 -5.727 -1.546 -3.528 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 -6.013 8.133 -7.798 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 -26.039 -0.132 -5.374 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 0.556 4.584 -0.963 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 -21.576 -8.964 -3.679 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 10.254 7.476 -1.319 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 -3.920 5.403 1.612 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 -3.330 5.043 0.597 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 -3.537 1.536 3.339 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 -2.468 -2.229 -5.540 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 2.560 0.101 -3.069 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 -2.371 -8.953 -6.778 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 -1.372 0.192 0.812 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 0.984 -2.104 13.476 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 -10.993 -4.542 20.877 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 5.505 -5.022 -2.416 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 12.946 -3.068 -20.125 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 -0.573 -11.275 -3.158 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 5.261 -4.582 -0.720 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 4.759 0.383 5.869 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 0.569 -8.480 -1.354 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 -9.453 4.550 4.863 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 -2.990 1.181 6.624 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 9.405 -12.270 -2.563 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 -3.695 -2.231 2.315 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 -23.984 15.982 -2.271 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 0.504 -3.718 1.835 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 0.931 -0.599 4.550 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 -17.902 -20.885 19.954 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 11.518 13.241 -1.072 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 4.561 0.885 2.458 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 -4.781 -1.651 12.178 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 15.326 11.294 -7.562 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 4.389 5.132 5.979 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 8.037 0.755 -12.697 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 5.735 -10.078 -13.244 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 0.795 -7.191 -0.595 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 -6.996 -8.000 0.952 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 28.506 -10.284 -12.405 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 -5.979 0.562 0.379 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 14.286 -36.475 -5.936 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 9.875 1.023 -22.743 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 -5.486 -5.990 5.348 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 4.184 -2.566 5.826 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 3.075 3.432 3.878 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 0.826 0.516 6.853 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 3.991 -5.663 12.883 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 -4.713 1.843 0.908 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 6.090 3.454 3.557 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 16.385 -3.997 -5.036 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 -6.370 1.727 16.083 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 5.772 2.233 4.017 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 -4.744 10.099 -16.002 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 26.726 0.286 5.696 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 -1.256 3.612 -2.848 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 -8.754 23.164 -1.551 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 13.530 4.714 11.354 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 2.141 4.960 0.274 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 2.456 16.880 -19.730 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 -1.742 10.967 -9.047 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 -1.316 -1.670 -5.473 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 10.354 3.131 -1.171 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 11.783 -2.446 0.399 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 -0.708 -3.060 1.662 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 0.424 -13.372 13.523 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 -11.293 7.891 -19.051 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 -0.242 -2.598 -1.719 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 -10.249 4.099 -3.428 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 -2.043 -15.689 9.318 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 1.871 3.968 -0.919 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 4.835 2.977 -2.313 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 -1.788 2.930 -0.395 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 -1.916 4.939 -5.611 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 1.942 2.700 -8.248 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 -7.120 2.266 -4.422 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 -5.718 1.904 1.963 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 -12.898 6.943 0.318 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 -10.187 3.932 2.881 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 -4.056 0.428 -9.410 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 16.135 1.225 -18.901 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 -5.001 -16.661 -21.251 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 4.045 2.004 -9.058 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 8.400 1.395 8.746 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 -0.152 -1.967 -2.414 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 0.795 2.819 0.353 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 -3.518 15.949 -6.745 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 -4.857 -18.195 6.212 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 -3.241 4.916 -2.216 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 17.743 22.557 11.212 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 -3.688 -27.034 6.573 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 1.487 0.157 1.699 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 -10.404 3.706 -8.287 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 4.620 4.424 4.845 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 3.345 5.628 -5.133 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 -6.032 -15.824 -9.316 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 1.977 -1.503 -22.265 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 -3.762 -0.820 -0.475 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 9.428 8.027 7.988 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 34.705 9.011 -0.336 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 -0.339 -4.587 -0.702 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 -1.505 14.355 -4.382 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 6.417 -1.712 -12.450 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 -2.032 0.746 4.755 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 0.664 11.945 9.875 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 4.307 -6.574 -13.042 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 0.848 -2.529 -5.110 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 -2.323 -4.457 -7.561 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 1.176 3.362 -24.446 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 -1.249 0.537 5.178 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 6.283 -4.357 -2.546 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 17.736 0.582 18.999 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 0.333 0.017 2.389 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 14.899 -16.289 -1.609 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 25.378 14.064 9.117 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 2.663 -2.963 -5.772 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 -15.182 2.292 -2.847 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 10.427 -1.661 -8.060 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 0.282 -0.422 -0.460 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 0.991 -4.930 7.783 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 6.464 -4.566 -6.720 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 -3.276 2.978 -1.558 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 -13.674 11.611 4.451 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 2.186 -7.447 10.458 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 2.917 -0.489 -1.191 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 14.250 12.497 30.211 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 -14.366 40.804 -26.586 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 4.478 -0.761 1.818 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 10.764 8.435 -9.349 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 14.932 -0.673 14.160 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 1.408 2.003 3.255 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 -24.104 13.393 10.059 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 14.531 9.520 -6.614 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 -0.809 0.005 4.987 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 0.283 3.781 4.539 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 -10.556 -5.720 9.032 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 -8.721 0.632 -3.926 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 -19.315 15.342 -14.484 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 1.215 -3.598 14.665 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 0.014 4.052 2.174 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 -5.235 -7.977 13.456 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 0.036 7.411 0.750 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 0.337 -9.227 4.141 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 -18.954 4.734 12.702 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 -23.838 -19.843 -0.372 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 3.402 -1.310 1.350 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 16.495 1.704 -10.724 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 -13.026 4.970 -2.963 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 0.169 -4.492 2.799 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 -20.240 -6.173 9.767 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 -2.774 0.437 6.985 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 -0.617 0.186 -1.578 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 -2.302 -1.057 -12.408 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 2.002 -10.428 1.214 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 4.909 1.040 -4.518 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 20.768 -7.771 -9.267 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 -5.012 5.406 -2.209 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 2.541 -2.906 2.852 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 13.724 -1.616 8.287 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 -1.541 5.676 3.889 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 -3.212 -1.517 -0.943 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 -8.814 -16.345 15.375 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 3.321 15.478 -16.911 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 -0.763 -0.145 0.240 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 2.917 -11.407 -0.685 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 22.334 -17.469 4.078 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 3.901 4.210 -1.940 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 -8.953 1.540 -6.134 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 15.469 9.578 8.602 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 1.611 7.727 6.149 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 3.780 -4.595 14.687 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 7.459 -10.611 5.931 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 4.893 3.857 -0.570 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 4.164 -1.125 10.886 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 7.178 0.403 11.109 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 -4.486 -2.974 -1.530 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 -7.558 -2.779 -6.070 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 2.210 -6.545 6.792 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 1.043 -3.987 -8.106 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 2.780 -6.598 -13.531 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 -14.972 -4.769 -21.606 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 -1.999 7.346 3.247 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 -3.971 11.526 7.605 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 -8.262 10.220 0.558 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 2.175 -3.541 -0.718 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 -4.498 -1.940 -9.545 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 -16.411 -4.795 -16.295 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 0.622 8.363 -4.816 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 -0.675 8.147 11.019 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 -3.344 11.996 17.799 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 4.278 0.486 -0.776 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 -9.751 -4.420 4.369 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 4.109 2.864 -4.756 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 1.803 -3.999 2.066 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 -2.015 -9.668 -13.477 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 -0.578 -2.163 -2.623 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 1.688 2.088 -5.917 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 -7.548 0.677 21.358 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 3.097 -11.908 -21.758 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 -0.837 2.266 4.743 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 13.417 -1.988 2.407 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 12.648 -1.684 -11.072 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 1.277 -1.384 4.242 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 -17.568 17.126 6.370 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 -9.891 9.152 1.375 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 4.271 -1.228 8.081 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 -0.890 4.618 4.526 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 -1.156 -18.202 -3.689 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 6.806 6.554 0.196 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 2.855 12.750 8.439 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 2.133 6.501 -3.950 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 0.667 3.741 5.361 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 13.762 14.838 -13.630 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 -1.352 -0.026 6.573 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 1.803 4.299 -1.221 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 15.982 6.575 -16.695 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 -3.463 3.855 -3.881 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 6.451 2.202 3.506 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 8.242 17.044 9.133 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 32.859 -25.532 -8.574 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 2.126 1.077 2.081 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 5.457 -0.298 -11.976 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 -2.901 7.373 -13.538 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 -1.767 1.881 -3.232 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 -2.351 8.884 11.599 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 -1.666 -6.240 5.100 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 -1.386 7.453 -3.384 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 1.633 3.761 5.205 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 2.385 17.249 -5.000 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 -4.747 0.446 -1.633 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 -11.268 7.032 4.135 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 -0.180 -5.380 -5.453 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 -6.515 -6.455 5.597 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 -9.827 3.744 -0.371 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 16.412 -13.755 2.789 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 3.071 2.604 4.074 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 9.844 6.844 -1.792 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 -1.432 9.821 17.669 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 1.630 4.557 5.616 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 4.599 -6.963 7.059 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 -4.981 -1.087 2.488 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 1.458 -1.608 0.948 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 10.867 -6.388 12.626 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 5.652 14.483 -0.700 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 -4.149 -2.123 -3.174 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 -2.620 1.502 -7.818 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 -6.887 14.756 -2.398 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 -3.656 -2.234 -2.495 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 -4.113 11.270 -5.888 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 -7.699 33.981 -8.266 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 5.282 0.308 5.501 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 -14.275 2.181 23.837 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 -22.352 1.142 35.592 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 7.147 1.767 4.999 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 -6.721 1.728 23.429 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 -1.579 12.527 -21.402 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 0.334 -0.761 -2.370 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 -12.110 14.957 -13.620 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 10.911 9.867 15.540 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 0.050 -8.322 -11.289 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 12.205 -8.730 -11.239 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 4.415 -9.049 -22.480 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 1.821 1.363 -1.114 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 -13.580 10.310 -26.490 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 12.416 -4.922 -5.447 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 -0.625 8.679 4.055 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 -1.625 4.640 2.854 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 2.509 5.168 10.621 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 -1.893 3.447 -4.095 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 -25.953 -2.919 32.453 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 1.455 3.509 -4.756 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 -0.770 3.315 -6.768 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 19.861 8.006 18.983 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 -15.760 0.469 12.564 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 0.888 3.337 -0.140 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 0.187 1.343 4.647 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 6.538 -5.067 21.497 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 3.179 -2.492 -1.380 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 4.271 -2.949 -5.844 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 13.514 -10.589 9.581 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 -2.142 -2.372 0.667 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 -4.766 -10.644 -14.816 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 13.943 -8.759 -15.141 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 -0.175 2.415 -0.745 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 3.368 -0.622 1.497 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 -7.570 5.685 -1.627 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 -3.239 7.494 1.900 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 3.564 8.869 13.343 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 -0.273 -4.232 -9.181 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 2.628 7.353 -3.272 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 1.753 0.999 -3.344 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 7.870 14.733 -1.806 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 4.589 -3.043 -5.292 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 -0.620 -6.859 -0.955 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 26.384 22.545 4.090 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 2.840 -7.562 0.935 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 -8.176 -9.303 7.627 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 5.982 -12.675 6.296 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 1.074 -5.391 -0.443 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 -2.308 -23.400 -4.148 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 -12.378 -3.613 -4.352 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 -2.326 4.399 1.066 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 -2.632 -14.630 -2.031 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 -7.030 -1.517 2.539 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 -1.093 3.434 1.155 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 -11.410 13.565 7.381 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 2.726 -0.315 3.765 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 -5.892 1.210 5.290 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 -4.805 13.532 17.355 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 -8.945 4.758 19.125 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 -1.844 7.309 -0.577 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 -6.034 16.293 2.925 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 -8.601 11.176 25.810 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 4.113 3.298 0.224 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 -9.256 -4.987 12.280 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 10.760 4.698 -1.707 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 -4.568 3.238 -6.828 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 21.459 13.943 -3.201 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 -26.238 15.596 4.525 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 -0.916 1.544 0.852 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 -6.180 -25.961 -9.837 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 -0.581 -9.382 -2.073 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 -1.811 -0.067 -7.407 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 -3.680 -6.606 -13.961 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 -5.081 -0.439 10.871 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 -9.055 0.400 2.922 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 36.461 -21.954 18.718 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 2.787 42.447 -1.355 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 -4.745 4.545 -0.633 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 -5.572 -17.594 -14.137 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 0.413 3.550 4.912 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 0.077 -2.604 0.095 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 5.357 3.019 10.606 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 6.879 3.070 -11.323 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 -6.333 -2.804 -2.682 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 -2.886 1.146 -4.580 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 -0.191 8.671 -0.424 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 -1.921 -3.952 3.241 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 14.586 14.285 -31.563 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 5.076 -9.755 11.695 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 -1.727 -1.044 0.797 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 -13.874 -20.692 10.775 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 -18.112 5.469 -8.996 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 4.677 3.850 -3.298 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 6.245 -21.290 -3.842 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 3.223 -17.172 -5.887 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 -0.813 1.380 -4.325 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 2.810 -7.547 -24.375 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 -7.731 -14.662 -10.078 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 -3.133 0.986 -0.735 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 24.481 3.695 -2.308 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 16.503 -7.869 -13.428 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 -5.053 0.056 -3.055 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 -8.502 -4.809 -12.880 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 -2.064 -3.932 -3.629 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 5.024 0.360 -4.250 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 -2.700 24.532 -36.613 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 7.127 -0.065 -8.882 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 -4.172 6.357 -3.459 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 -6.114 19.796 -0.516 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 1.770 8.035 -6.496 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 5.236 1.876 -0.418 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 9.338 10.743 0.238 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 24.858 -14.088 -4.452 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 -4.452 4.889 -1.183 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 -11.051 14.331 -8.739 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 -2.378 -17.125 -3.052 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 0.128 -2.144 -3.597 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 4.264 -0.366 -4.821 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 -1.906 -1.393 -4.193 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 -5.005 3.333 -0.694 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 4.474 4.336 24.158 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 -2.573 21.606 -13.124 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 -2.865 5.155 6.491 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 19.544 -10.204 25.925 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 -17.643 -19.472 -11.126 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 6.201 7.652 0.731 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 -1.757 -30.597 14.876 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 12.606 -7.609 -8.572 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 -3.146 2.053 -4.006 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 -4.204 -9.731 -9.511 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 0.407 -30.686 -15.621 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 -3.306 2.389 3.961 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 1.688 -18.834 18.575 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 -1.989 3.063 14.496 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 0.120 2.875 4.016 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 -0.622 0.854 -7.656 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 -0.887 0.444 14.137 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 6.266 3.688 -1.621 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 3.107 6.617 10.183 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 19.555 -9.425 -0.344 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 -2.063 -9.458 -4.310 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 -10.022 -13.746 -6.500 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 -6.351 -12.243 -5.291 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 0.618 3.211 -1.361 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 -2.611 13.970 18.124 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 -3.266 3.526 -18.203 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 -1.086 1.491 3.295 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 1.389 -2.689 -5.224 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 -7.668 -8.341 -6.136 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 1.045 3.151 -0.727 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 -0.131 -10.647 3.213 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 -1.576 -1.576 -17.545 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 3.716 -0.199 4.318 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 5.622 15.297 -3.716 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 3.617 2.891 21.996 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 1.130 -1.675 2.958 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 -18.217 -8.054 -17.733 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 13.033 -27.651 9.436 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 -0.772 -3.790 -3.031 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 -0.846 -10.506 39.068 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 7.984 -6.599 -11.481 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 -2.612 3.792 2.312 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 0.629 4.801 3.743 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 -20.435 -5.884 -7.510 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 -2.191 -0.292 2.929 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 0.646 -1.731 -9.306 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 7.739 -3.327 8.269 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 -0.121 -3.665 -7.718 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 3.085 -2.143 -6.722 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 1.163 8.444 -13.340 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 1.337 -6.253 -7.077 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 12.721 2.664 11.134 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 5.539 14.255 -9.493 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 1.865 0.336 4.618 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 -0.210 10.766 -3.787 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 4.854 6.882 6.517 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 2.585 1.998 -2.960 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 8.590 0.403 21.171 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 -19.016 -9.157 -3.919 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 -2.390 -0.135 0.727 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 0.369 5.873 5.947 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 -3.520 0.214 4.771 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 -1.349 -0.419 1.018 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 -1.887 7.648 -2.638 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 0.089 -10.209 7.244 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 5.265 2.807 -6.165 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 5.515 -5.532 -7.753 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 2.919 -0.553 0.247 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 0.615 2.744 -0.266 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 2.232 -37.223 17.670 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 4.687 10.608 22.539 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 -4.701 -2.679 -0.079 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 -2.843 4.312 7.282 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 -5.429 9.222 -4.670 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 -2.500 1.792 0.838 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 -29.652 2.263 6.381 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 -15.087 -4.517 -18.181 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 0.581 -0.684 -0.866 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 -10.932 -2.835 -0.741 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 1.730 -17.788 22.490 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 0.949 -0.853 1.829 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 -32.331 -18.969 5.471 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 -10.949 29.825 10.789 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 -4.745 -2.078 -3.744 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 -13.424 -16.590 8.548 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 -16.407 -5.888 4.399 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 3.738 0.938 -0.646 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 -7.022 -10.225 29.485 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 4.969 7.848 4.725 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 1.812 -3.925 3.013 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 -10.459 17.330 9.060 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 -4.409 -0.198 20.733 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 10.693 -6.963 1.348 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 -7.681 6.412 6.347 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 -4.523 0.290 -12.959 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 -4.853 0.841 -5.005 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 -25.467 -15.405 -1.488 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 -0.364 -1.009 -5.909 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 -4.451 5.855 0.780 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 1.124 -1.596 1.692 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 -10.618 28.063 16.257 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 3.461 0.444 9.177 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 28.343 -2.699 12.993 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 -18.787 14.452 -13.922 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 3.020 2.434 1.606 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 -10.937 -13.814 -16.529 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 -18.485 -3.437 30.532 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 0.984 -1.090 1.460 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 -19.759 5.870 -6.353 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 -13.158 3.508 -3.714 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 5.036 0.197 -2.233 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 17.465 -22.997 9.820 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 -18.847 6.338 -14.837 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 -3.234 -2.819 2.189 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 -9.643 -21.408 -9.208 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 2.540 -12.342 9.766 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 -3.514 0.961 -3.610 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 -9.857 -6.910 -7.901 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 11.191 15.495 -9.552 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 -2.253 -1.378 -2.444 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 5.819 -1.390 3.142 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 -1.650 -2.047 -1.971 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 7.020 2.831 0.920 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 4.272 -9.114 -17.770 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 9.156 3.127 -13.437 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 2.269 2.657 -0.860 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 -20.237 15.258 1.216 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 -3.052 19.362 -20.969 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 1.087 3.212 -11.795 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 -6.583 -23.827 15.125 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 -17.442 9.194 -12.041 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 1.813 -2.385 -0.092 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 7.423 -6.927 6.164 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 6.421 -25.419 15.169 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 6.126 3.913 -0.656 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 -14.804 0.296 9.144 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 -7.014 21.344 -44.747 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 -1.995 3.919 -4.208 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 -5.445 1.055 -7.677 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 1.576 -15.130 13.225 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 1.656 4.012 -2.164 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 1.283 15.980 -0.321 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 2.400 -16.595 0.292 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 4.805 -1.250 5.247 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 2.669 -7.481 -12.447 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 -28.483 5.919 -9.594 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 1.602 -0.184 -0.786 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 12.245 -7.766 -11.445 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 -0.508 -4.208 7.825 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 3.845 -10.137 -5.168 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 -33.482 1.874 -18.774 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 -20.717 -16.430 3.553 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 1.317 0.716 -1.689 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 7.012 1.300 -19.204 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 4.113 -3.964 9.254 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 1.458 -5.527 -6.550 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 3.567 -6.238 -7.152 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 39.422 -19.879 -19.468 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 -1.182 0.815 -2.762 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 24.058 3.578 -13.685 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 -10.693 0.896 3.346 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 -4.450 -3.477 1.767 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 -2.606 10.517 27.131 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 11.178 2.226 -23.558 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 1.681 1.976 -3.598 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 10.675 10.239 -7.822 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 5.252 3.373 5.691 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 -1.740 -6.150 -1.103 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 7.431 -41.353 -7.495 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 13.078 -34.482 4.144 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 -2.981 6.513 2.511 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 -22.289 7.927 2.143 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 -10.655 -29.904 10.585 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 -0.046 3.884 -5.111 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 2.530 3.365 -14.168 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 -0.924 12.321 -4.981 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 -5.856 -5.235 2.196 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 -13.522 -23.272 -8.474 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 -4.973 0.231 -31.225 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 2.195 7.295 -0.296 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 12.331 12.969 13.005 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -20.867 4.368 -0.640 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 -3.863 -5.111 -3.819 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 -6.754 4.054 -1.768 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 12.875 41.490 -28.804 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 -9.291 7.477 1.787 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 -12.438 -1.759 19.286 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 -4.142 -38.787 8.943 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 -1.021 -3.399 0.577 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 -1.652 8.483 -17.658 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 0.496 1.102 -2.872 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 -6.162 3.687 3.923 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 -4.783 -1.508 7.367 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 -3.136 1.969 0.453 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 0.765 -2.156 2.209 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 0.809 -34.467 -4.640 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 6.156 -3.037 -1.635 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 4.683 5.525 2.678 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 13.298 15.008 -4.977 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 5.280 2.201 -15.517 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 -3.465 -1.712 -3.056 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 9.541 25.565 5.891 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 6.405 14.924 3.571 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 1.481 -4.130 -3.347 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 -11.232 -4.248 9.775 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 6.725 -1.707 17.115 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 -0.460 -0.145 -5.868 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 6.493 4.331 -5.650 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 5.915 3.685 -5.431 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 0.208 -1.663 -2.082 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 1.168 3.654 -17.490 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 12.945 2.611 4.859 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 10.637 2.688 3.900 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 1.775 14.254 -2.700 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 4.500 9.689 -2.535 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 2.879 -4.132 -1.271 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 12.314 8.630 25.062 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 -14.776 10.480 -4.559 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 1.009 -0.936 4.563 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 7.857 12.143 14.093 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 3.259 -3.285 11.226 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 -1.455 1.123 -1.854 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 -13.709 4.163 12.994 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 -2.398 -14.683 -20.642 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 0.552 -2.024 -0.584 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 5.017 -7.130 -17.657 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 -13.013 -7.866 -4.083 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 -7.182 -0.124 -6.013 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 6.371 -5.562 10.746 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 -10.936 -17.119 -17.888 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 -0.865 -2.872 2.270 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 -18.043 -4.054 -14.362 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 2.041 -8.023 -2.978 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 6.571 -7.094 -0.573 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 -8.011 -21.025 16.186 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 13.254 -9.496 -2.900 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 1.873 -1.812 -6.665 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 -1.396 -3.149 -1.543 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 -14.846 -11.086 4.999 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 3.896 -0.116 0.444 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 -24.839 12.319 9.003 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 10.326 -12.678 22.330 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 -2.551 1.030 -1.641 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 -12.923 1.994 7.718 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 -22.570 0.787 -1.206 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 -3.576 6.972 -1.517 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 16.845 -24.452 3.654 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 1.219 3.663 19.363 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 -4.000 -4.514 -4.943 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 -7.574 -2.556 -6.592 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 -9.827 -2.179 -7.606 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 -8.939 1.901 -3.028 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 -0.705 6.728 -10.448 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 -13.777 -12.618 14.258 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 2.156 -0.757 -5.362 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 -0.367 7.010 -7.239 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 10.720 -5.534 -5.734 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 -0.132 -0.451 1.978 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 13.741 2.787 15.614 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 -5.465 0.521 -3.134 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 0.117 7.236 -0.654 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 -9.935 -9.765 -33.030 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 5.569 5.883 13.861 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 0.868 0.580 -2.739 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 3.084 3.708 0.229 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 11.958 -3.248 -6.565 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 -1.544 6.041 -0.820 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 -2.289 9.176 8.246 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 8.661 -8.823 -2.928 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 -4.600 -3.366 -8.350 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 -8.903 3.708 8.679 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 -9.274 -40.286 1.157 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 1.721 -7.152 -0.803 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 23.909 17.982 -1.922 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 -19.543 -18.212 -14.458 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 -0.392 0.049 0.058 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 -7.641 0.650 -20.408 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 -20.740 -23.919 -2.762 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 0.223 -0.437 -7.399 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 -7.079 3.845 -18.036 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 -0.523 10.449 3.147 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 -4.959 2.214 3.829 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 -19.973 2.586 4.265 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 -8.687 -2.759 13.799 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 -2.279 -0.193 1.288 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 -5.715 2.942 22.160 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 -3.418 1.789 -0.111 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 -3.536 -2.905 -2.335 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 -12.379 -9.946 5.365 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 -7.442 0.025 -6.150 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 -3.354 3.106 0.230 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 -16.357 1.389 9.124 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 -8.445 17.631 -3.718 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 -6.218 3.084 -1.161 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 -7.530 8.751 7.042 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 -7.216 7.819 5.369 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 4.138 -0.580 -1.870 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 -4.816 -5.155 -0.574 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 9.640 -6.788 -7.457 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 -3.650 8.869 1.251 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 10.779 -11.696 9.931 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 0.603 -15.104 1.111 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 8.787 6.159 -5.393 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 -18.492 -2.691 -1.349 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 -28.694 -10.036 0.579 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 -3.680 -1.705 3.386 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 -4.743 -1.791 5.165 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 -3.930 -2.046 2.183 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 0.719 1.258 5.930 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 -5.657 -5.312 6.053 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 17.514 -3.571 9.916 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 2.256 -0.208 -2.419 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 -6.662 -8.953 2.301 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 15.358 2.102 -3.108 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 7.115 -5.005 -0.374 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 30.170 -9.309 8.284 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 16.036 6.175 -0.292 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 -0.995 -0.051 -2.883 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 -8.804 11.389 -17.403 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 -3.794 3.477 -7.876 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 7.845 3.923 1.606 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 -5.839 8.660 4.811 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 -4.055 8.016 4.563 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 1.490 4.752 4.523 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 13.426 -9.644 11.123 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 3.268 13.298 9.965 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 1.927 1.341 1.240 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 2.867 -5.796 -1.687 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 3.948 -17.637 -4.696 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 2.270 -4.575 0.972 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 -13.270 -9.296 15.212 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 9.162 -9.376 -1.342 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 -9.954 -2.102 -4.187 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 -22.702 8.623 -5.172 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 -14.097 -10.606 10.225 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 -2.296 -1.389 -1.673 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 -20.807 -4.062 -7.415 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 11.427 -8.617 -27.745 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 2.794 5.873 4.390 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 -25.266 -7.471 18.581 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 15.695 -19.808 4.654 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 -1.510 1.042 -1.081 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 -0.049 6.312 3.853 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 -0.351 4.464 -7.679 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 -2.138 6.326 0.790 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 2.840 5.658 -6.740 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 -10.842 0.471 -0.151 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 8.227 1.773 -6.228 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 10.466 4.993 -4.351 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 18.681 -8.632 -12.985 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 -5.860 -6.937 5.782 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 -1.512 -18.278 -2.901 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 4.348 2.121 3.482 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 3.000 0.086 0.890 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 -2.740 -5.689 6.870 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 -12.075 22.712 13.612 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 2.361 5.419 1.335 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 -4.838 -33.258 2.669 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 -21.512 8.562 -21.993 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 -4.186 0.978 2.301 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 -1.509 -9.657 -7.405 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 -2.147 0.227 -2.487 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 1.931 4.061 -0.356 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 0.833 6.042 -4.215 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 2.224 0.011 4.376 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 -6.451 -3.290 2.093 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 -17.731 14.385 17.354 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 16.904 -1.253 1.598 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 4.592 3.402 -0.756 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 -7.396 2.239 10.945 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 0.285 2.839 3.134 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 -1.833 -3.110 -4.633 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 26.642 8.802 -13.161 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 0.171 -8.642 26.487 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 2.851 3.636 -2.811 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 -23.787 -4.955 19.720 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 18.953 6.567 4.760 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 -5.945 4.348 3.361 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 -3.954 3.639 6.401 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 -22.578 -16.452 17.472 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 1.957 -2.910 -3.516 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 11.806 -20.292 -1.480 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 8.026 -9.902 -1.860 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 -6.245 -3.857 3.159 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 -0.826 10.916 -8.136 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 3.690 -7.433 15.814 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 1.888 -0.221 -0.317 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 5.525 8.713 -3.001 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 -6.236 2.397 13.970 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 11.305 -2.046 5.160 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 -9.326 7.067 -1.179 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 -23.407 -30.383 -3.431 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 0.427 1.063 0.641 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 6.039 -2.854 -15.669 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 4.125 1.317 -11.241 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 -0.489 -2.875 4.377 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 -8.746 -0.439 4.009 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 -0.413 11.398 2.692 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 -0.438 -3.556 0.539 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 -7.148 12.030 -8.876 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 8.792 6.859 -0.607 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 -8.995 -0.878 -2.153 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 22.174 3.848 -18.317 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 -18.877 3.327 23.469 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 2.936 -1.857 4.943 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 -22.867 8.438 11.225 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 6.468 8.092 3.650 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 -8.555 3.192 -2.348 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 -14.185 6.218 6.349 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 -9.364 -0.809 8.978 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 4.634 -6.941 5.356 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 -4.506 -5.333 27.857 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 8.810 -14.277 7.457 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 0.347 5.383 4.191 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 -11.423 0.945 -14.233 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 4.971 6.645 5.735 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 5.894 -1.291 -0.063 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 6.699 -12.955 3.762 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 6.132 3.209 10.805 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 -4.469 3.138 -1.292 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 -0.890 6.819 -7.175 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 -12.207 -4.306 -2.850 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 -3.663 5.700 5.224 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 4.333 7.506 -20.692 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 -18.343 -17.873 5.922 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 -0.106 -2.752 2.013 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 -4.329 -6.430 14.049 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 -7.711 0.339 2.499 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 1.871 2.832 -0.263 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 -7.050 27.059 11.706 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 12.925 -8.240 -24.651 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 -0.279 -0.097 -1.179 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 9.879 -11.665 -22.404 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 -28.799 -8.152 13.138 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 2.267 -5.125 -4.363 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 -9.778 -13.030 -10.770 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 -4.366 15.390 4.087 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 -4.674 4.185 0.167 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 -14.105 -3.912 -1.834 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 5.635 1.286 8.643 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 0.822 0.730 -1.823 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 1.735 7.486 -6.351 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 -2.138 -3.552 2.362 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 -2.215 -2.910 -7.019 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 10.119 -16.110 -19.227 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 -1.103 12.998 1.727 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 6.721 1.455 3.968 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 -4.549 13.754 10.294 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 6.307 -5.617 15.941 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 1.509 -0.907 5.445 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 5.731 11.048 -4.804 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 24.289 -10.809 28.367 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 -1.751 -0.427 -3.783 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 -2.151 -1.479 -3.228 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 7.297 3.413 -16.160 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 2.271 -3.386 10.959 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 13.482 -14.169 -19.254 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 -17.625 -0.441 12.917 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 -4.125 -7.771 1.138 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 -29.623 -2.495 -3.084 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 6.996 -15.202 -19.015 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 -0.817 0.012 -1.936 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 12.867 -15.636 11.306 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 -40.136 29.580 -18.360 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 -5.791 0.880 1.437 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -3.887 11.397 -10.520 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 4.868 -25.158 8.412 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 0.897 -0.248 -5.275 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 17.631 2.040 -10.289 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 -0.232 21.509 -11.954 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 2.782 -1.134 2.829 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 5.486 20.154 -5.380 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 7.534 14.896 -2.787 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 -0.169 2.227 2.836 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 0.672 -0.104 2.297 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 9.256 -10.756 1.948 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 0.766 1.119 0.999 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 8.899 -7.719 -0.110 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 3.799 -1.687 -1.180 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 -1.151 4.195 4.352 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 -14.952 0.579 -5.548 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 -1.228 10.693 18.845 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 4.021 -3.944 10.697 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 -10.108 1.084 -8.157 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 18.206 -22.678 2.856 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 3.736 5.004 -3.319 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 0.748 -2.166 -7.235 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 9.803 9.861 1.857 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 2.505 -5.723 4.975 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 16.085 -24.795 17.954 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 -3.550 22.148 -23.936 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 -0.593 0.060 -5.148 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 -7.352 -12.889 6.483 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 -7.579 4.111 10.759 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 -2.617 -9.579 -6.896 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 -17.703 19.218 -19.122 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 11.274 13.202 1.770 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 -6.204 -1.595 0.040 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 -16.385 -0.888 -8.167 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 0.706 -12.290 -4.797 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 -1.214 -6.992 -2.791 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 16.388 -2.372 -17.568 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 0.596 -1.460 -3.697 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 2.898 -1.529 1.393 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 5.663 3.785 -6.672 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 -23.707 -0.305 18.014 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 2.918 -3.861 1.644 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 18.180 11.758 4.839 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 11.140 4.906 1.945 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 -0.663 6.845 -0.557 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 3.752 1.964 -7.604 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 -6.545 -5.659 -15.717 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 -2.380 -6.638 -7.492 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 4.259 -2.029 -2.214 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 -12.656 -2.373 -10.574 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 -2.236 -2.533 -1.608 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 -9.533 -0.541 32.988 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 3.833 10.679 12.919 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 1.986 -2.992 3.136 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 17.718 -2.855 19.377 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 1.068 16.915 -4.151 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 2.169 2.872 7.769 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 10.081 -3.893 6.717 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 21.537 -16.371 7.362 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 3.428 1.212 -1.702 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 6.589 -14.334 4.625 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 6.261 23.934 -23.280 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 3.884 -5.139 -3.241 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 31.517 17.949 0.846 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 0.264 -8.406 -3.605 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 -2.679 -4.081 4.414 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 7.285 -8.270 11.606 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 -19.627 5.918 -13.036 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 -0.116 4.658 -4.288 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 -30.859 -1.651 -9.190 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 14.694 -23.525 -6.227 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 -4.830 -4.754 0.247 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 -9.927 12.316 5.839 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 -8.567 -14.182 -1.372 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 -3.785 -1.326 -1.823 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 -19.560 -8.760 12.317 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 -7.327 -3.662 3.163 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 0.447 -4.094 0.976 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 7.789 -9.595 6.643 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 3.026 -6.273 3.320 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 1.701 3.007 -4.085 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 -13.660 9.730 2.402 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 -8.634 6.999 -13.105 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 -3.249 5.263 3.229 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 -2.576 6.108 -0.784 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 4.327 7.851 -3.580 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 0.504 -3.849 -1.700 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 0.922 -12.894 -13.443 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 -2.644 33.733 31.692 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 0.317 3.701 -1.014 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 -4.547 1.229 4.052 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 -14.627 -3.529 10.245 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 -1.988 8.748 -0.647 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 5.491 2.864 -1.697 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 -4.166 -14.266 6.993 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 7.581 8.149 -1.980 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 -20.091 22.608 -17.462 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 -13.945 -4.936 21.436 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 -2.094 0.805 4.983 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 -20.862 -36.585 26.200 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 -2.652 -1.344 3.299 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 6.803 5.671 -3.822 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 6.923 -24.362 -4.435 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 5.977 4.706 -5.726 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 2.674 4.129 -3.695 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 15.641 8.735 -1.285 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 36.415 14.035 -2.572 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 8.263 -0.800 -8.746 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 13.428 -6.282 26.414 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 -3.179 -22.777 -21.762 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 -3.664 -2.268 3.731 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 -15.784 -5.276 -3.759 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 -11.700 -3.820 1.290 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 3.174 -5.811 1.252 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 -11.616 -16.289 -14.540 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 -5.849 15.950 -2.290 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 8.219 -9.098 -0.025 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 2.338 -4.750 6.986 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 3.175 3.330 6.969 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 2.225 1.171 -3.492 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 -4.021 0.003 0.328 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 6.018 -6.896 -7.328 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 -0.506 5.558 -1.013 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 -5.180 19.495 6.036 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 10.832 11.237 -7.879 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 -0.766 0.668 -3.957 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 13.479 -3.955 -13.963 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 -12.075 24.774 6.107 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 0.901 -4.528 -1.041 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 4.825 -14.911 2.076 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 8.588 6.178 -26.382 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 0.672 0.845 5.534 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 3.165 5.603 -10.396 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 24.266 -6.416 -7.755 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 4.338 0.025 0.127 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 -3.416 -0.563 3.843 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 -23.093 -12.931 1.194 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 0.412 2.741 -2.398 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 15.447 16.350 -8.338 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 -8.024 7.994 12.410 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 -1.412 -0.432 11.631 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 7.371 -0.233 -7.419 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 3.486 3.681 -14.360 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 -3.916 -1.418 0.158 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 11.738 -23.716 4.003 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 -13.586 -12.487 5.201 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 -1.921 5.673 2.554 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 23.375 -9.149 11.058 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 6.435 1.269 11.806 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 2.472 0.377 0.744 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 -1.674 -7.558 -1.131 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 -2.744 -1.745 26.851 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 0.922 2.476 -8.687 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 14.294 -6.938 -2.106 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 -14.247 11.656 -2.506 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 -3.463 1.802 0.811 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 -1.159 -0.253 -1.609 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 -16.045 -1.075 -0.333 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 -6.482 -1.684 -3.593 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 -0.579 -8.724 -4.485 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 -15.315 -4.238 1.825 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 0.452 -7.767 5.130 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 19.584 -2.123 5.493 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 -5.396 -5.123 13.544 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 9.790 0.988 -3.316 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 10.720 12.181 -12.648 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 24.579 -5.432 8.281 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 2.575 -2.231 -4.054 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 2.143 5.748 -20.507 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -3.715 -15.461 -1.433 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 0.789 0.456 1.260 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 -4.363 -6.270 11.349 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 -1.660 -2.252 5.163 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 -3.020 2.117 1.840 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 -0.125 8.382 -7.628 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 -4.334 7.191 9.113 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 -8.629 2.056 5.112 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 -6.563 -11.307 2.727 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 6.023 -5.451 9.728 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 -5.173 -2.907 6.220 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 2.704 -15.662 5.072 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 -3.534 -4.049 0.230 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 -5.273 9.127 -1.107 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 -6.430 2.271 -3.755 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 25.387 -7.424 8.672 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 7.552 0.038 -3.233 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 21.137 -8.511 -11.926 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 11.604 16.449 -5.972 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 3.723 1.880 -3.502 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 3.245 14.243 4.625 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 1.631 -17.809 0.195 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 2.336 0.976 6.057 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 3.641 4.505 6.252 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 7.007 15.097 -1.148 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 -0.647 0.450 -1.360 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 -4.238 0.749 -7.194 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 -11.396 1.514 -29.427 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 -2.475 5.761 -5.739 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 8.460 -1.162 -12.588 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 -16.183 21.730 15.561 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 -5.074 -4.688 -1.453 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 -15.925 -6.072 -6.723 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 -14.758 4.360 5.184 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 -2.889 -2.385 2.831 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 0.265 6.502 -2.676 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 -7.631 5.139 2.975 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 -2.996 -0.679 6.237 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 -5.645 -9.272 7.225 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 -10.154 6.923 2.524 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 3.457 0.106 -2.856 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 -9.650 -13.291 2.442 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 11.463 8.881 -10.490 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 -6.933 -0.479 1.132 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 0.613 17.561 -10.333 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 -31.730 7.963 11.286 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 2.417 -4.227 1.900 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 13.474 3.676 30.796 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 -9.752 -34.045 3.806 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 -3.220 -4.454 -2.086 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 12.975 10.699 -3.355 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 5.708 9.150 -5.275 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 3.268 -2.030 -0.876 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 19.755 4.817 -0.583 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 -4.568 15.615 -17.823 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 -5.151 0.782 -0.716 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 19.218 -27.974 2.745 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 -7.138 18.514 13.347 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 -1.671 -1.568 1.164 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 -5.408 -3.480 13.452 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 5.743 16.747 -25.646 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 0.608 -4.625 1.190 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 -3.263 18.308 8.938 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 0.727 4.356 -0.474 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 3.502 -6.873 1.297 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 18.113 -6.119 5.479 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 -10.208 -1.746 -25.144 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 4.691 -1.735 -0.719 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 6.641 -9.182 -3.258 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 -2.971 15.213 6.805 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 0.074 3.056 2.756 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 -0.388 -8.697 24.253 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 -11.171 -3.338 10.930 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 1.133 -4.546 -5.916 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 -0.812 -4.341 -3.957 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 -0.609 -7.159 -7.629 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 -4.134 -0.637 6.071 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 -16.487 -25.438 4.427 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 -11.400 14.787 4.030 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 3.840 0.115 -2.467 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 3.950 -7.223 3.852 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 13.017 -0.652 -6.173 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 1.920 -0.170 -0.936 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 -2.317 0.078 -3.281 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 -15.919 4.060 13.298 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 -4.905 -1.172 -4.358 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 -12.198 -22.620 6.891 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 20.768 -0.655 0.764 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 -4.526 -2.529 0.314 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 -30.382 1.165 8.749 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 -22.220 0.212 -11.306 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 -2.468 -4.968 2.982 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 -1.836 2.836 8.680 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 -11.729 -8.696 -1.520 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 1.449 -5.021 -0.896 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 12.476 4.799 16.454 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 26.395 5.524 -10.445 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 -3.471 -0.156 0.708 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 -5.437 0.522 1.018 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 -19.975 -10.594 -3.251 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 0.867 3.435 -4.561 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 -6.934 -5.561 14.154 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 11.771 -3.486 -1.310 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 3.615 3.530 -0.265 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 -6.858 14.317 0.484 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 -11.831 22.987 -16.774 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 -2.805 1.526 -1.145 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 2.200 12.275 -14.370 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 1.190 3.702 -5.308 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 -0.494 2.170 0.841 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 -5.612 -15.315 -11.588 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 14.143 -22.422 -8.524 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 -5.407 -3.735 -7.989 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 -9.077 6.168 -10.422 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 -6.530 -17.351 -9.984 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 0.104 -8.393 -5.617 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 6.352 -3.249 -2.907 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 -9.359 -2.097 -7.706 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 4.995 -6.628 3.024 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 -8.122 7.354 8.290 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 5.187 14.619 22.176 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 1.123 5.217 3.374 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 -8.779 12.882 -0.537 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 -0.593 0.085 -3.859 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 4.752 -4.047 -1.685 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 11.002 10.575 -19.689 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 4.952 -3.357 -2.840 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 1.974 -0.982 2.935 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 10.448 -11.709 -14.744 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 -1.863 16.533 -7.061 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 -3.194 -5.382 -3.730 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 12.995 1.198 -12.069 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 -21.476 -17.026 7.774 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 2.192 2.454 3.602 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 -12.056 -8.824 5.042 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 -4.968 -3.061 3.881 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 3.757 4.796 -0.467 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 -16.319 6.702 10.540 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 3.058 -14.146 -14.965 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 1.610 -1.284 11.542 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 8.944 8.051 9.695 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 9.203 16.200 8.855 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 1.799 -2.155 -0.810 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 -6.011 -21.640 8.316 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 6.739 10.988 -5.617 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 5.087 -3.164 -6.740 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 -7.547 -9.396 -17.122 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 1.861 -9.591 7.948 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 -1.916 2.484 8.088 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 -2.411 0.782 9.474 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 -6.331 8.102 7.174 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 -0.749 -0.661 -1.505 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 -8.864 3.680 14.650 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 4.124 -1.304 3.039 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 0.586 -5.054 4.510 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 21.181 14.493 -4.115 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 32.918 -6.442 8.901 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 4.419 1.192 2.946 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 5.560 5.705 5.569 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 -7.658 -9.933 -4.055 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 -2.598 -2.720 -2.492 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 -1.457 -1.188 4.781 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 21.315 -10.406 15.763 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 1.029 3.608 -6.343 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 13.009 -18.317 -3.814 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 4.273 -9.409 -7.056 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 1.450 -1.820 5.003 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 -4.957 -7.566 0.794 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 -5.419 -2.133 16.069 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 3.109 -0.688 3.186 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 -1.093 -10.737 -5.254 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 -9.129 7.032 7.373 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 0.684 -2.280 2.762 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 2.801 -12.830 -16.482 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 13.138 5.122 -5.666 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 -5.095 -1.059 2.025 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 28.181 17.698 -28.677 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 -7.012 0.497 -10.410 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 -1.454 2.049 13.974 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 7.392 3.335 18.525 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 -7.227 5.177 18.218 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 -1.062 3.073 1.843 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 6.099 7.824 -26.301 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 -24.999 5.400 -0.732 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 3.765 -1.678 -6.188 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 13.678 -7.678 14.302 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 7.405 -17.478 -21.616 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 10.049 1.847 3.044 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 19.166 -0.146 -6.292 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 7.093 -3.596 0.031 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 4.839 -1.938 4.019 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 7.821 10.153 23.217 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 -2.894 18.026 14.328 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 -2.841 -3.098 3.723 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 -8.358 -4.548 12.021 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 8.940 -0.699 -5.529 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 3.456 -4.878 7.409 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 3.592 -12.552 -2.431 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 0.374 -9.397 -0.096 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 -5.518 1.236 0.059 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 -12.159 -2.774 5.974 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 -6.212 0.587 -1.053 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 3.094 -1.229 -8.994 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 3.399 2.463 -23.304 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 10.492 5.717 2.213 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 5.275 0.675 -0.759 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 10.117 -6.227 36.871 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 10.414 -20.110 -11.862 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 -2.546 3.829 -6.428 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 11.198 -1.750 -7.845 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 -9.788 -13.255 -5.074 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 3.516 -1.921 5.457 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 -9.191 -8.548 17.584 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 15.782 -16.825 4.401 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 -2.309 1.288 -1.917 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 7.235 18.445 -11.670 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 3.126 -10.470 18.013 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 -4.697 3.999 -2.085 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 18.721 9.714 -18.807 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 -14.777 8.632 21.481 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 2.966 -1.069 -4.627 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 15.788 10.410 -17.182 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 -15.778 -0.880 -10.941 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 -3.332 4.465 3.601 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 -1.203 2.707 -2.473 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 -11.383 10.915 25.602 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 -6.178 -0.395 -0.282 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 -0.256 7.373 -21.385 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 -8.979 -5.119 -22.305 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 -1.820 1.487 -2.570 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 10.508 5.498 3.418 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 33.182 19.329 34.755 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 1.008 -1.679 -1.554 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 -3.265 -5.421 -4.101 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 -0.895 1.887 6.474 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 -6.857 -0.144 -1.538 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 -26.962 -28.773 -0.448 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 -5.604 -3.186 9.132 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 2.862 5.665 -4.030 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 -20.765 2.491 4.964 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 -25.267 -2.592 16.642 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 0.474 1.144 -7.849 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 4.905 12.142 -21.271 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 10.273 -10.906 -7.433 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 -1.435 0.303 -0.235 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 -0.824 -0.708 7.836 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 2.722 4.529 -10.638 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 -2.071 -3.478 5.762 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 45.148 -2.048 -1.753 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 1.661 -8.882 -13.230 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 -1.176 -0.994 -0.585 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 0.142 -17.036 -5.188 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 5.224 -20.694 -14.278 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 -6.486 4.594 -0.347 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 -15.443 34.001 -11.373 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 -1.474 -22.509 20.436 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 8.869 -2.702 -4.148 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 4.483 -6.766 -2.457 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 7.211 3.940 -6.206 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 -1.708 -7.933 2.525 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 4.016 -0.905 2.740 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 -7.768 -6.292 2.112 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 -1.968 -2.375 -1.217 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 -2.602 -0.379 -14.243 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 10.728 -0.830 2.486 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 9.059 3.555 -5.424 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 -4.964 0.464 5.543 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 17.156 6.751 -3.464 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 1.615 3.349 6.465 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 -14.530 -3.114 1.668 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 4.765 7.569 10.988 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 5.561 -10.385 5.977 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 15.503 -14.186 -15.033 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 0.713 -8.595 1.291 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 5.265 0.274 3.739 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 17.630 -4.323 5.709 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 -1.193 -7.720 0.266 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 2.455 3.715 2.604 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 6.293 -6.299 2.862 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 -9.427 -9.508 28.822 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 0.523 -6.475 5.580 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 14.506 -15.537 11.753 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 -1.622 -3.891 -10.013 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 -0.332 -5.394 -0.404 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 -9.798 -16.232 14.797 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 1.678 7.662 -4.789 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 -2.559 -3.000 -0.072 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 3.074 -8.697 -11.482 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 6.114 2.582 0.388 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 -5.453 0.544 1.914 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 -29.613 -10.289 26.903 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 10.798 1.562 -8.444 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 -2.877 3.135 -1.272 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 10.173 -4.631 -14.809 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 -19.540 -36.043 34.119 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 -9.680 -1.882 0.994 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 -9.903 0.741 5.677 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 -9.198 -3.198 -2.453 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 -0.026 -1.333 3.469 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 -21.291 14.061 9.732 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 -17.135 9.803 -1.855 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 3.170 0.759 5.106 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 -10.640 7.669 -3.392 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 0.092 -10.079 17.661 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 2.408 -0.314 2.592 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 -8.305 6.496 13.331 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 10.976 -5.991 -9.771 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 -2.162 -0.609 4.213 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 -4.185 11.217 -8.456 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 7.420 -7.095 5.242 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 1.957 2.881 3.747 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 2.890 -7.633 3.138 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 -1.169 6.226 20.467 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 -0.206 2.753 -2.118 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 17.891 7.896 -0.398 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 -13.097 14.721 -16.978 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 -1.131 3.932 4.776 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 -13.101 27.644 -14.613 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 -7.320 20.065 -15.624 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 5.150 -0.272 -6.892 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 3.193 13.897 -0.799 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 17.274 1.588 -13.566 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 -0.214 -2.754 -1.579 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 -0.584 -8.576 13.555 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 -12.223 1.907 -1.667 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 -2.053 0.907 6.149 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 -0.300 5.934 18.769 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 -6.150 0.737 5.727 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 -7.469 4.468 -2.881 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 -11.244 -11.944 8.343 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 11.438 9.519 1.573 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 -0.487 -1.615 -3.779 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 -22.262 -1.889 1.072 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 5.852 4.335 -4.474 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 6.181 7.436 9.063 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 6.881 4.512 -11.521 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 16.499 -5.119 -18.216 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 3.604 -2.254 0.535 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 -14.815 5.350 -5.293 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 -16.101 2.326 -1.664 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 0.005 0.078 -0.748 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 -20.862 11.422 -8.985 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 1.150 -20.085 -8.318 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 -3.425 -4.187 -2.380 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 -16.711 -15.870 2.209 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 -17.822 14.086 26.471 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 1.477 0.889 -1.735 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 -3.403 -2.340 -3.634 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 5.465 0.664 -6.714 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 -3.554 2.707 -3.159 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 9.460 24.007 9.387 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 0.016 21.370 5.096 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 -0.122 -0.185 6.483 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 0.483 -4.350 15.935 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 5.375 -0.249 2.559 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 -3.548 -6.115 4.910 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 15.067 0.911 -0.786 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 -13.060 -2.260 -7.167 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 -3.506 -5.724 -1.597 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 2.612 23.330 -4.866 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 -4.137 -0.989 10.016 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 -4.127 -2.153 3.744 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 -11.655 3.521 -10.201 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 -10.669 10.944 -9.233 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 1.378 5.326 -4.016 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 9.485 8.745 5.178 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 -19.910 7.756 28.877 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 4.685 3.588 -2.994 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 13.626 -0.025 -7.551 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 -2.909 15.676 10.099 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 -1.518 0.700 6.596 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 -7.407 0.817 0.792 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 9.236 -4.599 -12.111 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 -5.097 -5.705 5.647 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 -1.601 6.960 9.121 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 13.891 -18.157 8.279 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 5.303 -5.096 -0.681 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 -2.085 -17.046 -0.488 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 15.211 18.478 -7.291 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 1.127 3.863 -4.525 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 18.614 23.690 -4.815 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 -19.520 -11.918 -12.198 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 0.171 -1.993 5.342 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 -4.258 -13.565 11.501 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 3.402 -8.124 -7.352 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 0.196 0.544 -2.727 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 -7.812 -1.162 -2.255 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 -3.540 5.464 12.115 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 4.682 -0.338 0.754 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 -3.154 5.596 16.793 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 19.069 14.242 -2.262 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 2.163 0.670 -1.152 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 4.934 -3.211 -21.078 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 -3.689 9.993 -9.796 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 -1.136 2.903 6.749 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 5.268 0.484 2.709 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 -13.138 6.501 13.753 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 4.683 -6.012 -4.624 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 17.429 -13.484 17.496 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 6.912 9.691 -10.947 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 1.169 7.415 -1.476 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 -29.859 -5.253 -14.174 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 2.045 21.453 10.315 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 -2.398 1.652 4.732 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 -8.190 11.414 12.511 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 -8.291 -7.305 -13.719 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 -7.212 3.528 -0.898 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 24.191 -15.604 0.790 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 17.608 -11.460 0.771 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 -2.098 -2.091 6.956 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 15.597 -7.351 9.797 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 26.578 -12.172 6.973 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 2.191 6.969 1.425 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 -12.150 13.243 -1.514 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 11.107 0.732 0.852 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 -1.022 0.819 -3.372 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 -1.843 -43.770 -3.424 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 -0.480 3.126 -3.789 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 -3.711 7.170 0.725 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 4.488 6.716 8.580 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 -1.318 10.914 10.654 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 5.691 -0.068 -2.074 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 21.411 -7.853 17.684 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 0.768 5.554 -4.767 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 0.871 -3.250 -1.710 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 -7.162 -4.722 10.532 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 2.304 -20.799 -13.037 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 2.696 3.076 2.410 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 1.072 -7.448 -0.666 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 0.103 5.223 1.034 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 4.136 -6.446 -0.241 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 -0.804 -7.526 7.062 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 7.458 14.512 -15.621 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 3.776 -1.544 0.172 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 13.623 -4.350 -7.761 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 2.527 -0.725 7.221 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 1.679 3.398 0.018 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 9.055 0.426 5.798 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 16.533 2.789 -1.611 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 -2.624 -2.686 -2.960 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 2.892 7.724 9.074 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 -10.327 5.372 20.305 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 -4.437 -1.231 -0.554 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 7.557 -10.613 11.561 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 -1.165 3.124 -11.357 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 -1.895 -2.276 -5.793 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 11.159 7.716 -20.162 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 10.398 24.105 22.704 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 -2.604 1.549 2.467 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 1.484 11.178 4.759 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 12.185 16.814 1.983 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 -1.411 0.389 -0.472 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 3.064 -14.306 1.961 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 -12.799 4.732 5.673 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 6.441 -1.886 7.959 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 23.619 -0.235 14.224 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 -0.212 12.212 -6.264 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 -2.647 -1.697 -0.718 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 -0.390 -2.125 -20.125 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 -13.868 -2.789 -0.123 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 1.996 1.312 -0.619 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 -8.917 2.381 2.819 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 3.876 -6.893 -6.539 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 2.312 0.855 4.705 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 11.572 1.270 9.000 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 -5.279 3.830 0.981 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 -1.375 -0.836 -4.373 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 6.977 11.097 8.244 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 -5.645 -7.480 -1.816 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 -3.602 -1.776 1.745 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 -10.722 -2.831 4.814 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 -14.153 -7.225 3.500 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 -1.395 -1.874 -2.720 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 3.139 -11.197 -2.103 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 -2.950 9.108 0.280 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 -4.216 6.292 0.325 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 -11.779 12.526 -34.627 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 -12.373 13.797 -32.686 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 -0.357 -1.252 1.172 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 0.230 0.043 -1.167 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 1.692 5.207 -8.901 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 0.499 -1.572 1.674 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 4.897 -3.125 -2.756 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 15.998 -7.014 14.616 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 1.247 0.950 -0.386 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 -8.781 -15.619 15.841 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 3.937 7.714 -6.700 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 -4.554 0.604 0.681 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 -5.895 2.342 1.975 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 18.262 -8.336 -1.040 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 0.817 6.115 5.286 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 -3.705 -0.538 4.555 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 -2.062 3.712 5.419 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 4.372 -0.123 1.134 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 0.233 10.782 -6.494 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 -17.930 -10.008 1.724 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 3.474 2.874 2.866 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 9.132 -1.608 7.119 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 -3.755 -1.016 4.146 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 5.646 -6.837 6.355 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 -1.939 -8.371 -4.321 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 5.091 -7.676 3.875 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 -1.621 3.096 -4.549 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 -4.236 8.292 -10.807 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 -4.406 0.090 1.667 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 -5.371 4.042 -0.046 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 -6.804 1.404 -0.031 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 0.928 11.433 0.212 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 0.931 1.854 -5.097 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 11.245 -21.710 3.825 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 5.058 -19.433 5.963 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 -0.087 -3.356 -3.650 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 -25.421 -8.856 19.508 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 28.954 4.102 -10.769 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 -5.528 -3.978 -6.814 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 16.474 -6.576 17.849 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 -10.373 16.813 -8.423 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 3.141 -1.143 2.791 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 17.819 -12.193 14.980 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 -18.398 10.697 -2.006 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 -3.017 4.457 -4.815 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 11.455 -7.725 -9.394 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 -10.069 -1.407 -10.680 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 4.829 5.145 -3.643 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 21.725 8.129 15.600 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 6.408 4.429 1.084 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 -6.326 -2.537 -1.430 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 -3.958 -0.610 -2.219 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 -5.643 0.997 -10.247 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 5.867 -1.140 -6.728 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 6.038 -6.937 -3.237 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 15.806 -9.757 -3.909 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 1.862 -0.675 0.733 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 -3.993 5.824 6.022 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 4.672 -11.421 -2.008 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 -2.486 -0.657 -2.844 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 -17.639 6.118 -6.443 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 12.668 -5.752 3.812 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 -1.787 -0.649 -2.682 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 -12.345 12.150 -6.849 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 5.502 -7.154 -3.194 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 3.866 -0.307 -6.668 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 7.925 13.397 -3.406 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 -3.699 -1.164 -17.007 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 3.141 7.090 1.155 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 -6.509 22.573 -14.060 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 11.627 -17.608 35.167 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 -1.963 2.635 6.364 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 -3.749 21.287 13.450 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 -7.162 21.305 11.772 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 -2.167 -5.990 -6.105 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 3.871 7.048 -18.526 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 -8.478 -16.987 9.071 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 1.144 0.176 4.309 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 10.816 0.723 4.826 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 -3.696 -4.675 2.515 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 -4.979 5.809 -4.889 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 10.467 17.056 1.589 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 -0.364 -0.188 -9.081 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 0.068 -8.347 -3.966 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 -12.529 0.545 -5.931 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 -21.071 10.199 29.935 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 0.589 0.575 -7.999 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 3.207 -4.790 -4.616 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 -12.572 5.284 -8.694 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 -4.744 7.861 3.495 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 15.662 8.597 -15.930 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 -13.908 10.665 19.388 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 4.289 -3.043 -5.561 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 5.950 -17.428 -10.699 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 -7.620 -4.452 -4.050 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 0.940 5.286 8.802 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 -0.237 -3.046 -7.176 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 -12.425 -7.887 3.228 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 3.265 -2.290 -4.406 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 18.451 -20.479 -9.542 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 -17.854 4.459 -31.683 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 1.080 4.844 0.003 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 22.911 -24.624 22.205 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 -4.526 -34.712 21.960 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 4.153 -1.907 -0.341 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 2.314 0.903 8.391 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 -6.554 2.466 10.682 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 0.225 -1.097 0.064 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 -1.261 -6.771 -6.309 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 11.635 4.967 0.071 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 -2.252 -8.565 -5.566 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 19.593 -9.157 14.551 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 -2.794 -28.769 -2.469 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 -7.371 -3.584 -0.045 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 37.128 -5.383 17.680 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 -0.055 -6.584 20.809 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 -2.674 4.385 1.833 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 -37.858 11.187 -15.228 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 -10.007 -28.293 26.861 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 -0.426 1.898 -3.009 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 -5.938 12.191 3.454 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 -1.928 9.945 1.260 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 -2.588 -4.921 -2.009 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 23.661 15.346 -6.991 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 -15.156 3.192 30.309 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 1.231 -0.091 0.856 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 2.440 3.813 8.010 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 -2.390 -15.075 -29.226 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 2.723 -1.069 -5.351 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 -4.006 -12.112 -7.256 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 -0.231 0.011 -13.755 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 -7.905 -1.590 8.043 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 -14.619 3.618 -14.039 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 18.353 -0.448 -13.977 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 1.103 3.897 3.166 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 2.552 7.817 14.244 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 -6.067 2.492 11.376 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 -1.389 -1.648 0.259 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 14.938 -6.493 -12.629 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 20.675 3.559 -2.886 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 0.692 -1.129 0.187 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 -14.519 -13.982 22.380 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 -14.136 -3.137 -26.574 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 -5.848 3.448 0.397 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 8.012 2.683 5.102 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 -3.552 4.060 -0.687 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 -2.075 0.320 -3.360 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 -1.117 -12.052 -19.113 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 11.626 -7.293 -22.131 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 -0.374 3.292 5.837 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 -2.615 -25.236 4.729 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 -15.752 -11.388 44.091 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 4.224 -0.437 2.682 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 6.760 -32.870 3.183 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 11.096 10.502 2.355 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 4.840 -0.394 -5.281 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 -9.007 2.881 -7.356 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 13.601 6.561 -4.745 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 3.323 -7.467 -2.479 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 16.044 -6.362 -9.929 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 10.242 -26.749 -1.415 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 0.785 2.694 8.484 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 1.549 -1.332 -36.698 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 -10.081 9.693 32.177 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 0.385 4.074 6.334 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 14.630 -3.368 11.473 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 -17.905 12.357 0.510 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 -5.838 -5.188 4.373 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 -6.148 -5.750 26.105 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 21.934 5.906 -11.955 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 -2.399 -0.583 9.149 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 -15.312 1.631 -0.177 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 4.561 -25.161 9.485 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 2.947 -3.387 0.556 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 -0.825 14.198 13.010 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 -23.728 24.583 -2.162 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 -0.698 -5.401 4.790 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 9.580 -17.136 8.239 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 14.713 1.864 -10.565 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 4.064 2.480 -0.248 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 -7.462 -4.347 14.562 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 -2.470 -3.379 -10.767 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 -1.111 -1.872 4.231 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 11.868 -4.309 3.074 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 -0.153 13.811 7.146 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 7.965 -0.095 -1.010 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 6.756 12.131 24.080 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 -15.607 12.709 -15.898 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 8.651 -2.237 -0.115 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 17.135 -6.734 11.465 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 4.936 6.219 -0.385 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 0.385 -1.418 -0.779 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 -1.686 0.873 -7.601 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 11.962 -4.784 -7.027 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 2.014 6.367 -5.615 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 0.903 -5.218 3.264 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 -21.778 -25.020 -10.092 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 -0.276 -1.942 -0.346 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 4.877 -2.662 -12.108 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 6.049 2.149 -7.024 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 4.972 -1.378 -5.177 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 7.734 14.926 -9.315 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 -0.223 -5.787 -8.049 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 1.545 0.724 -1.805 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 4.493 -9.681 -16.418 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 -15.068 -6.602 4.156 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 8.096 -0.013 2.711 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 2.402 -19.256 -20.799 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 -13.133 23.945 3.646 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 -0.860 -2.197 -2.917 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 -3.194 -1.474 -3.354 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 20.273 -17.382 8.723 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 1.268 -3.198 -5.159 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 -19.677 14.899 7.361 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 -11.981 13.647 3.616 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 3.973 -1.291 9.741 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 -2.969 1.293 10.652 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 3.185 -0.070 5.631 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 -2.732 -7.459 4.777 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 -11.345 -7.002 1.193 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 -7.044 -8.832 -6.607 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 -0.205 -0.990 3.100 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 5.378 -19.102 16.705 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 -1.428 2.679 0.699 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 8.666 1.178 4.162 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 10.027 3.838 4.713 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 6.786 0.388 6.507 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 6.028 3.199 5.113 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 -4.397 1.257 8.439 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 -7.252 -6.018 1.469 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 3.569 3.983 -2.959 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 -0.072 12.538 -7.197 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 11.111 -4.882 -4.146 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 0.161 7.365 1.257 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 -4.902 1.621 5.950 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 7.924 16.216 9.364 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 -7.174 0.899 -3.594 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 -0.445 -8.358 -14.739 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 5.167 -6.799 -7.195 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 -1.113 1.556 -1.794 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 -15.267 -37.806 13.162 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 0.545 8.693 -8.058 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 1.474 1.270 -6.375 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 10.754 9.437 5.460 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 -8.560 -12.791 -20.056 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 -1.155 -3.293 2.181 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 17.834 15.413 -20.191 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 -3.984 -44.765 -5.045 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 3.216 5.382 4.440 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 4.786 -1.267 22.825 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 11.900 13.199 -8.560 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 -2.671 9.646 3.421 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 -9.907 -18.018 19.422 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 11.411 5.739 6.093 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 1.781 -5.303 1.417 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 -9.833 -8.916 2.674 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 4.883 -26.087 -5.392 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 -9.892 -2.651 0.080 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 -8.305 6.927 -26.248 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 -19.005 3.889 9.595 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 -0.400 4.772 -2.965 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 1.255 -3.102 14.812 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 -12.955 -2.061 -11.218 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 0.994 -1.124 -8.358 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 -3.797 -8.136 -5.028 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 5.802 4.807 -11.839 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 -2.868 -3.858 1.350 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 -5.996 -3.907 -9.734 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 -1.054 -11.353 5.017 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 -1.054 5.512 -3.505 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 4.097 18.511 -26.450 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 -2.042 4.285 0.573 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 5.344 -0.680 -0.402 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 -2.507 -1.568 5.083 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 -0.701 -1.470 4.727 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 7.186 -0.834 1.353 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 18.540 -3.389 3.204 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 15.883 0.913 4.142 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 -2.089 0.805 3.733 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 -34.794 21.030 -5.915 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 -30.727 9.409 8.239 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 -0.621 -7.335 -1.059 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 6.862 -12.988 -4.787 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 -20.612 -4.806 -0.686 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 -7.256 1.625 2.626 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 1.041 9.526 -8.129 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 10.388 18.108 -9.256 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 5.463 -1.887 -6.791 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 3.245 -13.145 -7.844 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 -1.033 1.742 2.115 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 -3.996 1.272 5.268 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 7.393 -33.733 9.397 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 -19.225 26.399 0.933 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 -3.194 6.644 -3.361 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 16.238 -5.880 1.701 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 3.398 25.999 -14.562 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 0.215 -2.566 -0.254 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 1.372 -7.730 8.704 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 -32.501 -12.360 -10.079 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 5.704 -6.166 7.423 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 10.773 -24.415 -9.594 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 -3.684 8.519 21.813 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 0.790 5.883 0.318 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 9.834 -4.842 10.853 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 8.201 -3.605 6.070 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 3.523 -1.438 5.731 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 15.204 -5.052 9.934 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 -5.167 1.881 -15.054 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 2.716 0.933 -6.359 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 16.217 -24.282 -14.022 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 -6.925 19.331 -2.482 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 -2.100 5.379 -7.625 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 11.860 8.557 -23.587 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 17.350 0.411 12.024 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 0.352 -2.624 -3.217 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 -8.725 -4.459 -8.915 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 15.859 14.330 5.663 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 -2.446 -4.817 -1.138 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 26.820 6.701 7.749 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 20.484 -17.914 16.411 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 2.908 0.022 -8.766 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 5.778 2.687 -11.506 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 -11.302 -1.384 6.793 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 -4.949 -5.385 -2.099 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 2.670 9.816 -2.902 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 -3.870 -2.900 -8.454 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 -6.488 2.277 0.342 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 -3.219 -2.496 -2.593 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 9.955 -13.096 0.871 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 4.751 6.525 4.529 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 3.978 4.387 9.942 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 8.135 10.256 -9.496 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 -3.203 0.502 5.173 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 0.258 -0.740 5.112 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 27.454 -11.242 11.189 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 3.516 -2.714 2.967 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 -4.757 20.627 23.371 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 26.574 16.497 5.434 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 0.864 -5.698 -3.147 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 17.119 5.940 0.949 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 14.094 -20.872 15.003 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 4.017 -1.528 4.993 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 9.928 -10.538 1.440 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 -7.010 2.576 2.792 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 4.454 -2.729 -8.642 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 3.489 -3.424 -2.371 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 -12.296 -7.677 -47.768 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 -6.293 -4.115 4.575 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 -4.645 -14.969 17.897 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 8.642 12.294 7.026 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 1.008 6.015 3.066 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 8.721 -12.852 17.390 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 26.430 -4.814 -17.973 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 3.374 1.642 -2.811 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 11.153 -15.125 3.777 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 6.734 -0.259 -8.496 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 2.849 3.825 1.173 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 1.528 3.566 -0.810 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 -1.140 0.815 -2.201 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 2.325 4.694 3.270 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 -24.146 -4.631 -5.384 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 -11.229 24.565 20.190 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 -5.663 1.192 -2.472 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 -4.450 6.348 -0.158 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 -6.821 -1.973 4.849 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 -6.028 -2.201 2.801 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 17.088 14.749 -9.018 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 -9.775 -2.986 0.584 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 -0.473 0.220 6.481 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 0.584 3.949 10.914 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 -5.197 3.719 4.115 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 0.721 -3.729 3.428 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 16.232 -15.159 0.389 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 -8.937 -4.090 5.575 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 2.454 -3.020 -5.400 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 -13.448 -9.610 -17.716 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 -5.671 -8.237 -18.507 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 4.017 4.598 5.073 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 -6.665 8.188 19.755 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 9.111 7.013 0.138 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 -5.372 -6.933 -4.446 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 36.109 3.222 5.861 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 -4.335 -33.056 2.280 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 0.223 -4.959 -5.083 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 -4.977 -6.454 38.440 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 -2.557 5.342 -13.005 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 -0.817 3.508 -4.602 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 -14.433 9.552 -4.763 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 -3.600 0.446 1.843 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 -0.611 -0.119 6.153 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 -24.479 -3.592 13.706 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 -8.134 0.885 8.910 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 6.327 6.759 5.468 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 9.742 -20.970 6.224 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 -20.966 5.174 3.853 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 -2.880 -0.417 -5.802 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 6.790 11.530 -15.470 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 -21.362 18.234 -16.059 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 1.195 -1.264 -1.346 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 -0.040 -19.440 -4.450 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 6.029 9.751 -10.917 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 2.829 0.595 -3.114 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 -9.533 -9.250 -0.694 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 6.507 21.187 -8.176 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 0.609 0.736 -8.570 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 18.108 4.247 -23.624 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 -2.582 0.237 -20.701 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 -1.055 -1.276 -0.858 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 -0.229 -3.011 -12.122 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 -11.308 8.066 16.206 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 2.609 -7.411 -3.854 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 8.659 -7.069 -0.300 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 -9.200 -6.223 4.233 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 -2.546 -1.077 0.858 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 14.388 29.241 -10.914 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 -4.219 -17.700 -2.589 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 -6.269 -3.355 6.291 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 -12.783 27.857 5.472 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 -2.523 18.288 4.639 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 -2.451 -1.957 2.439 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 10.732 -18.091 2.810 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 -5.782 -11.498 -2.398 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 -4.764 -2.447 1.312 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 0.531 11.423 3.907 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 -19.045 -30.407 -0.953 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 -3.966 -6.882 1.344 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 -10.535 -19.479 9.012 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 -3.402 10.722 -7.588 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 -1.761 -6.211 4.732 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 -2.080 0.689 10.082 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 -19.262 -9.053 1.291 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 3.326 -0.185 2.112 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 -10.860 -1.366 14.883 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 -13.929 -20.105 10.874 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 -2.298 0.263 -1.438 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 -1.007 -19.256 14.989 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 -3.520 22.546 -19.863 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 2.278 2.322 2.734 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 20.082 23.294 -2.881 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 3.586 0.698 -13.877 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 -2.815 -2.486 -4.885 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 -12.996 -12.936 -6.816 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 -3.354 2.784 0.003 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 7.084 -8.272 9.409 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 -6.701 6.042 1.008 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 0.998 -3.882 7.470 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 -1.796 -5.349 3.705 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 8.592 -10.907 -5.286 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 -3.639 -1.402 7.215 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 3.622 -7.015 -2.234 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 6.958 -3.586 12.100 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 2.401 -2.464 -1.241 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 3.897 -0.153 8.580 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 -7.214 -1.337 9.648 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 3.900 3.531 33.806 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 -0.996 4.224 1.579 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 -11.834 19.570 1.727 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 0.516 0.561 -18.749 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 2.496 -0.291 3.751 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 6.196 49.940 -3.444 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 5.696 -33.497 5.851 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 0.824 0.013 -2.660 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 -11.667 7.555 -1.772 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 1.958 -5.238 10.432 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 1.296 3.441 6.804 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 -7.835 -7.807 10.573 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 -9.520 14.593 14.363 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 -4.895 0.401 0.250 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 -13.213 -3.186 -9.558 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 -13.787 7.059 13.403 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 15.592 1.267 8.068 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 4.431 -13.462 -7.609 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 -7.959 19.777 -15.874 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 1.152 -1.460 3.476 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 7.914 0.043 5.302 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 3.007 2.847 6.267 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 0.203 -1.950 3.217 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 25.882 -5.687 -1.763 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 -11.758 -1.417 3.900 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 2.688 0.336 -1.700 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 -17.436 -2.348 -2.822 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 -4.321 14.770 -15.763 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 0.092 -6.030 -6.417 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 -3.335 -8.813 -0.071 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 -17.711 3.420 -9.241 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 2.014 -5.853 -4.039 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 3.811 -9.000 9.503 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 -2.004 6.433 -3.733 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 -1.104 -4.940 -3.559 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 8.875 -3.686 1.173 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 7.813 -3.125 -8.514 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 -0.019 0.945 2.573 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 6.146 -14.926 8.010 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 -25.035 2.171 3.299 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 4.452 1.050 0.653 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 9.403 -8.525 13.818 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 -13.708 4.424 3.701 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 3.103 1.693 0.542 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 6.438 1.768 -14.518 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 -6.905 -17.687 -4.805 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 2.094 2.235 5.258 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 -7.454 -3.812 2.772 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 34.204 -27.830 -1.015 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 1.699 -5.421 -3.166 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 4.962 6.270 4.756 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 -6.371 -11.871 6.209 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 -2.148 -5.175 -4.600 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 12.769 -6.544 10.563 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 6.937 1.769 -20.694 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 3.885 5.718 0.205 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 0.446 14.099 -4.584 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 4.686 -2.616 0.461 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 2.016 -4.898 -0.920 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 -14.024 -11.086 -8.086 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 9.499 -5.752 -7.362 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 3.455 4.830 -5.183 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 14.240 11.313 -14.661 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 -0.650 2.855 -2.790 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 1.077 -0.297 0.646 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 7.250 -18.935 10.162 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 2.830 -2.367 0.281 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 1.879 0.183 -1.890 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 3.473 12.943 -3.165 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 -13.736 18.730 -5.044 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 0.569 -0.263 7.779 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 -14.229 -5.681 8.823 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 33.850 -2.655 14.643 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 2.512 8.275 -0.777 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 -9.122 6.947 -16.379 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 -25.067 -4.746 -3.433 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 4.948 -5.317 -0.410 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 6.597 -1.626 7.822 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 10.884 -6.237 -3.347 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 -1.308 -2.755 1.744 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 1.209 3.897 -1.728 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 -6.907 -5.993 5.861 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 4.290 4.368 0.103 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 12.622 -8.254 -31.202 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 13.633 -7.753 -1.803 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 2.534 1.585 2.099 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 -13.621 2.112 -26.961 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 2.175 0.582 -14.690 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 4.534 3.146 -1.639 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 -4.605 -8.583 -0.221 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 -5.462 -14.334 -3.794 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 -6.428 -4.276 3.186 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 -3.405 -6.621 9.343 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 -19.592 -0.858 1.635 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 -5.870 -4.609 1.610 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 -6.580 26.701 14.497 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 -2.936 -3.600 3.762 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 0.027 -0.386 0.192 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 17.355 -8.124 -5.008 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 -4.638 -14.231 14.690 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 1.283 -3.812 0.092 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 6.092 14.513 -0.713 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 5.347 -4.991 -11.836 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 5.584 -3.102 -2.804 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 -8.371 -8.117 36.354 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 -2.555 -6.010 16.532 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 -1.328 -4.300 7.639 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 10.709 -7.928 2.107 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 7.542 0.502 9.689 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 -1.207 1.906 -1.776 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 0.920 1.412 9.326 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 -0.068 -0.514 -12.670 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 1.324 -0.866 3.518 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 -3.506 8.156 3.244 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 -7.462 18.045 1.679 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 1.293 -0.797 -2.939 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 19.850 -2.048 -14.357 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 17.836 -0.551 -14.480 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 1.017 2.616 3.138 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 2.185 16.127 -5.895 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 -3.969 9.501 23.501 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 4.210 -0.465 0.106 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 -11.208 -2.943 -2.511 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 16.964 -5.211 6.404 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 5.146 0.404 1.291 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 3.695 -1.260 3.489 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 2.249 -3.449 -0.628 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 -1.800 -3.615 1.548 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 -21.523 -19.828 -12.013 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 -20.251 4.748 0.696 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 -2.398 1.750 -5.117 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 -29.685 10.401 -4.032 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 -4.791 -12.898 -8.393 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 -4.394 2.404 -2.686 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 -0.429 -4.272 6.325 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 -11.626 15.985 -22.401 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 8.601 2.400 0.326 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 -16.840 2.437 -2.899 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 21.346 -8.199 -17.753 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 -1.261 -0.221 3.554 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 13.377 17.264 17.341 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 13.799 -15.168 -8.361 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 -3.170 0.905 5.713 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 -1.897 -14.804 13.007 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 -2.136 -2.449 -3.260 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 3.279 -5.263 0.479 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 -13.693 1.313 -2.342 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 -11.189 -4.918 -5.332 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 -3.037 2.407 -3.550 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 12.954 -9.379 -3.648 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 6.950 -5.311 -6.262 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 3.589 0.490 8.189 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 -10.758 1.318 -4.218 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 -1.740 -18.513 9.739 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 3.728 -3.195 -1.829 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 7.940 -5.427 18.123 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 22.662 -8.722 -19.648 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 -2.113 3.309 10.175 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 13.461 21.622 -11.774 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 5.577 1.968 -14.704 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 4.744 2.092 0.040 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 -1.343 -0.053 -4.078 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 5.045 5.764 -3.160 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 1.981 1.707 -0.743 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 12.738 -5.360 -11.563 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 -0.322 2.758 3.220 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 -4.666 -2.040 -2.508 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 -16.072 -22.911 11.961 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 26.036 -7.844 14.931 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 -5.367 4.997 -8.828 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 -0.499 -0.928 -3.011 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 0.390 12.494 -23.830 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 7.640 -0.177 -4.315 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 5.593 -0.126 -0.698 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 1.330 -6.757 -19.508 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 0.060 5.021 2.322 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 -10.325 27.400 19.507 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 6.831 2.706 5.759 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 -2.007 -4.259 4.156 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 0.023 -34.189 14.072 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 -10.452 13.070 -7.151 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 -3.438 5.954 -5.803 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 -13.892 3.527 -8.336 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 5.490 15.899 2.478 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 2.235 1.347 -0.538 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 -10.788 2.921 1.052 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 3.088 10.567 -4.521 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 0.983 6.628 4.759 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 -2.523 3.579 -5.010 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 -30.429 13.591 32.982 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 -3.407 6.046 1.325 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 -2.846 -9.351 1.950 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 -17.400 -17.021 -18.301 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 -0.843 4.862 -4.233 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 -21.650 15.372 0.071 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 -9.856 -9.071 -24.409 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 1.974 3.353 1.346 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 1.117 5.596 -11.174 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 -2.850 13.819 5.235 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 -0.938 -2.846 -4.947 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 -0.019 -10.713 -4.806 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 7.334 -14.164 4.060 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 -4.439 4.073 -2.093 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 14.732 -22.450 -16.254 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 8.953 2.089 14.920 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 1.221 -0.140 -2.197 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 14.776 -2.783 3.304 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 14.320 12.656 -12.238 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 -1.626 4.562 -0.404 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 8.972 -4.433 -2.501 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 -18.937 17.731 1.969 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 -4.693 -1.587 2.159 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 5.545 12.454 2.842 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 12.718 5.108 -0.993 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 0.842 2.887 5.565 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 -10.959 12.568 0.178 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 2.090 -4.332 10.914 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 -4.194 6.137 -2.641 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 13.022 28.933 -2.909 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 -12.661 -2.015 5.110 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 4.963 -1.793 1.413 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 -4.135 -1.636 -8.007 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 6.607 1.187 11.637 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 -5.865 -2.626 4.671 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 -4.015 -5.541 6.651 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 -5.482 6.069 -0.951 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 5.128 -7.181 2.249 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 32.369 -3.120 5.412 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 4.324 10.617 3.412 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 -2.141 -3.684 0.762 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 2.524 0.040 8.457 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 -8.715 -5.287 -13.102 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 -7.743 -3.991 9.977 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 21.696 25.726 6.666 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 3.788 10.771 10.273 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 -1.572 2.859 1.284 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 4.691 -5.709 -16.375 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 7.478 -14.901 15.109 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 1.192 1.124 0.094 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 3.557 13.073 -12.273 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 5.893 8.732 -9.756 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 5.375 -1.817 -1.632 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 -31.068 -3.074 0.176 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 -11.832 2.743 3.648 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 3.548 -0.807 -3.825 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 35.710 0.088 -0.065 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 -9.568 -20.082 6.996 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 -2.023 -0.815 -4.196 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 -16.715 1.668 -4.338 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 -20.967 -27.404 14.552 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 1.215 -1.889 1.404 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 3.047 -2.973 1.409 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 -6.297 -4.094 7.990 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 -0.629 2.142 -3.188 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 11.016 -13.689 13.187 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 6.008 -7.011 12.186 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 1.240 3.904 0.112 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 0.362 14.299 3.858 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 8.562 -15.542 11.554 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 2.132 1.906 -6.154 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 3.976 9.233 -6.117 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 6.906 -6.541 -18.094 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 -0.160 -3.692 -9.205 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 -5.684 -2.876 9.224 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 -15.397 -10.286 -17.287 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 -9.338 -2.366 2.127 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 -2.826 -13.619 5.045 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 -21.684 5.152 1.343 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 0.252 3.299 -6.288 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 0.298 -9.011 -7.471 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 5.931 -2.351 -6.676 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 0.825 3.700 3.219 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 4.614 -5.716 -4.301 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 -12.211 2.200 10.636 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 -1.698 -5.598 0.716 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 8.778 -11.368 6.149 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 -7.592 -2.960 14.060 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 6.119 -3.128 0.625 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 20.210 -4.627 4.585 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 1.403 -2.790 -3.165 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 1.003 4.731 -1.849 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 -1.283 13.799 -15.775 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 15.811 -9.496 -4.373 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 -4.686 -3.769 -6.494 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 8.876 -4.304 -8.984 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 -28.873 -23.795 5.778 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 -1.955 -3.684 2.915 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 1.670 -9.757 -4.858 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 22.649 2.071 -1.203 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 6.020 -3.057 1.629 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 1.522 0.955 24.152 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 7.474 -0.689 4.526 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 3.989 4.093 -5.642 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 5.326 -3.380 -9.183 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 2.940 33.797 -10.732 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 2.171 -8.221 -1.173 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 5.803 -3.890 -0.395 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 4.979 -12.724 0.658 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 -3.541 0.753 -5.557 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 -7.692 -34.263 1.652 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 17.913 -13.751 -9.370 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 -3.523 -7.925 -3.020 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 -16.448 -31.090 2.206 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 8.436 -8.863 -4.886 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 -4.051 -1.416 0.194 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 -10.193 -4.694 5.850 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 -10.710 3.236 8.239 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 -2.650 0.690 1.282 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 -4.909 17.829 -27.513 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 0.847 -21.888 -2.515 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 3.215 8.227 -5.054 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 22.695 2.982 -5.617 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 10.373 5.013 -5.130 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 -2.931 -0.138 6.085 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 1.468 -10.284 -2.685 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 0.665 -13.448 -5.203 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 3.103 4.784 -4.169 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 7.032 5.419 -3.797 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 4.791 6.260 0.212 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 -6.299 0.612 -0.541 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 -1.498 -3.172 -21.714 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 1.585 -11.482 7.367 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 0.792 -6.643 -1.359 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 -1.463 -8.943 1.424 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 5.890 -22.666 13.371 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 -2.351 -1.395 0.286 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 12.635 -6.224 4.969 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 -8.051 -13.223 -3.856 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 -6.190 3.370 0.703 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 -6.703 10.627 2.148 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 -16.686 5.476 -0.138 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 -2.382 2.808 2.141 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 5.983 7.669 6.241 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 12.488 -1.734 3.775 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 -3.023 -0.711 -0.112 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 -5.973 6.829 -5.168 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 9.254 4.763 8.186 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 2.931 -2.884 2.124 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 18.015 -12.950 -1.477 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 -10.230 -22.944 0.610 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 2.868 1.323 2.680 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 -3.733 0.349 4.511 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 14.261 -5.064 39.315 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 1.080 -2.133 1.256 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 1.114 -3.108 10.865 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 -5.120 -1.268 5.114 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 5.143 -6.137 -1.903 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 -7.080 -1.874 -11.600 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 30.110 -18.647 16.253 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 -5.531 -1.080 3.633 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 -19.110 -3.264 7.308 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 -5.309 -14.301 37.753 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 3.156 -0.371 -8.204 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 12.997 -4.552 -17.355 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 10.599 8.570 -3.981 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 -1.419 2.187 -3.217 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 -2.658 21.420 -7.339 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 8.549 -12.101 8.267 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 -2.901 -4.338 -1.741 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 1.305 2.320 -14.065 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 -6.916 -2.395 7.560 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 2.325 -0.783 2.103 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 -13.989 14.106 -18.247 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 -6.800 10.807 -10.344 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 -0.709 0.616 2.352 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 -18.940 -13.078 7.044 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 -1.723 17.958 -10.377 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 -3.620 0.676 3.619 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 -11.837 15.223 28.173 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 17.875 20.792 -9.643 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 -7.356 3.853 3.538 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 2.245 -13.618 4.155 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 7.548 -1.690 -2.574 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 -0.498 8.533 -0.636 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 3.910 -21.589 2.790 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 -20.419 7.440 -21.098 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 -0.862 -0.533 -2.882 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 -2.020 21.734 -12.228 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 -12.453 6.050 20.366 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 6.166 2.851 0.660 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 21.719 1.689 13.998 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 -6.487 2.624 11.753 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 -5.124 2.399 -5.052 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 9.312 10.220 -7.185 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 -0.747 -10.452 -18.930 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 1.877 1.023 0.061 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 -3.497 -5.958 -5.107 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 -13.240 -9.342 12.023 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 -1.335 1.330 3.096 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 4.757 6.362 6.207 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 -4.373 -0.841 -0.247 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 -1.277 -1.994 2.116 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 -2.232 8.166 3.741 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 14.963 1.016 0.690 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 -1.072 -10.167 -3.310 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 13.696 -25.036 -8.404 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 -25.963 8.599 6.740 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 -3.217 0.824 -2.923 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 -14.134 -3.359 -2.953 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 7.865 4.045 -3.202 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 -1.431 0.912 5.546 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 -5.745 12.438 14.188 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 -7.380 0.613 13.089 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 1.215 5.580 9.927 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 7.339 10.327 5.841 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 -0.762 -1.449 17.647 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 -4.957 1.964 -2.095 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 -7.008 -5.899 -2.452 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 -4.360 23.675 8.025 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 -0.716 12.920 -3.991 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 28.342 -1.708 -2.841 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 24.717 26.782 13.937 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 -9.186 -4.549 1.333 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 -9.954 0.643 18.059 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 -6.102 -11.721 -15.094 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 3.572 5.259 -9.695 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 5.367 6.219 -9.941 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 1.719 8.501 -15.144 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 0.751 3.298 2.317 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 6.765 2.356 20.951 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 19.087 -22.648 -18.043 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 -2.712 1.942 -1.740 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 24.583 14.783 -5.023 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 3.350 4.927 -1.915 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 -7.941 -0.201 -2.592 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 -2.800 8.822 25.811 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 -8.436 24.854 -20.701 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 3.951 2.226 7.058 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 7.794 -8.113 -7.239 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 -9.907 7.906 13.358 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 -2.380 -1.222 3.137 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 4.744 -5.458 5.588 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 -1.468 6.132 7.509 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 -6.758 1.694 -4.853 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 5.456 -12.750 3.658 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 -27.817 22.954 -15.114 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 -1.984 2.744 2.119 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 -20.630 -5.931 -17.441 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 -6.507 6.850 9.787 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 2.539 2.630 2.117 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 0.061 -1.252 22.958 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 12.246 -5.043 19.859 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 -3.474 -4.113 -3.809 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 -8.896 23.573 -11.377 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 -2.298 -7.098 -3.024 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 0.885 -3.070 6.950 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 1.686 -17.517 6.643 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 3.474 16.493 7.573 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 0.230 -0.482 2.500 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 39.538 4.907 21.663 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 12.386 -13.465 6.252 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 1.682 1.673 0.821 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 7.890 3.984 -19.828 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 -6.137 -8.214 23.644 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 -4.065 0.325 4.803 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 -3.972 11.609 -5.385 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 -9.951 8.316 40.436 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 4.200 3.153 1.586 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 1.947 -2.505 6.259 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 6.274 11.737 -3.240 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 0.640 3.758 -0.268 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 -4.504 14.879 36.141 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 3.778 7.159 4.314 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 1.018 6.099 -0.053 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 -12.629 14.420 -15.613 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 7.624 -2.743 7.368 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 -7.182 1.713 -0.432 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 -10.048 -10.778 -3.668 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 -16.420 15.435 0.635 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 -4.855 -0.969 1.977 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 -22.067 -5.868 6.444 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 9.056 -3.808 3.797 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 0.752 -2.299 -2.609 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 9.976 2.915 -8.262 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 4.498 -11.533 9.174 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 0.338 2.260 -5.583 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 7.731 19.185 -3.121 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 -2.102 -3.227 -5.878 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 -3.000 -8.845 -9.026 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 2.047 -11.986 -25.633 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 -6.994 -15.023 0.376 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 4.744 -2.029 -0.840 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 17.550 -2.732 -12.827 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 5.401 7.899 9.166 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 2.123 0.439 -4.963 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 12.380 -10.284 -5.907 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 -25.067 -7.469 -9.609 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 1.029 4.197 6.990 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 -5.768 13.357 -9.229 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 33.482 -5.181 28.028 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 1.008 -1.554 5.911 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 10.907 -3.988 13.423 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 -10.447 1.251 -3.167 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 -5.360 1.696 -0.730 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 -2.314 4.717 -3.101 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 -11.647 -11.288 2.848 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 -1.094 1.966 3.157 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 -5.428 16.190 7.135 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 0.525 -4.553 1.485 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 3.857 -0.230 -3.872 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 1.313 0.636 4.163 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 11.458 -4.936 -5.532 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 0.512 -4.406 -6.364 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 10.282 -2.839 -2.960 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 12.971 19.811 -12.653 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 -0.194 5.544 3.182 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 -1.211 1.980 -1.355 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 -7.809 5.841 -3.671 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 -3.116 4.563 1.359 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 -6.311 3.780 19.423 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 -20.679 7.994 -10.355 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 -0.892 3.502 -4.314 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 -9.528 2.511 -8.810 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 21.296 -24.253 14.577 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 -1.897 3.582 7.396 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 -28.932 4.039 -1.589 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 1.472 0.653 16.116 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 8.143 -0.540 -1.239 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 11.195 26.220 4.190 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 5.023 2.624 -5.175 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 1.572 -6.652 1.342 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 -2.346 -11.645 10.871 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 7.360 -13.199 -8.791 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 1.244 1.076 4.047 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 -4.102 4.682 0.734 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 11.398 2.460 4.545 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 10.947 1.914 -3.597 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 -1.550 -12.111 2.004 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 25.691 6.096 11.322 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 -3.418 -4.066 -3.538 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 -26.593 -9.884 15.320 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 -17.343 11.914 -12.437 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 -0.552 4.161 -5.601 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 -4.853 -13.110 -21.812 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 -0.799 5.185 -4.469 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 3.616 -3.595 4.490 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 0.498 1.826 19.293 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 2.258 -3.787 22.046 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 -2.118 2.698 -1.715 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 11.529 0.804 -7.409 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 23.935 -26.198 -16.980 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 3.351 0.627 2.126 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 -26.606 6.475 7.406 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 -1.399 3.424 -29.532 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 1.630 -0.106 5.527 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 -20.385 -7.621 5.616 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 20.427 6.444 5.295 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 6.270 -3.913 -6.001 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 -0.901 -1.268 -13.502 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 14.614 17.205 4.254 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 7.053 -2.007 2.120 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 7.339 -14.792 10.876 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 9.961 -2.764 -6.251 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 4.132 1.445 -0.523 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 -9.687 0.757 9.321 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 0.499 1.090 2.270 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 0.895 0.751 -3.157 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 9.616 4.977 -10.002 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 -17.310 -16.018 -14.873 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 -0.277 1.621 -0.892 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 6.960 23.769 5.988 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 -0.297 -2.551 0.401 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 0.368 3.920 -4.576 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 -13.520 13.437 -1.236 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 -12.737 -5.910 3.716 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 0.438 -8.228 -0.618 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 8.395 2.269 11.850 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 4.889 -6.439 2.376 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 5.042 -5.169 1.276 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 -19.237 2.269 -2.179 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 0.786 -19.030 -12.055 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 -1.540 -6.961 3.308 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 -3.829 -1.847 5.111 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 6.059 -15.721 3.014 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 -3.765 -8.074 -3.225 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 0.598 -18.310 -3.167 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 19.900 -16.641 -22.035 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 4.592 -1.708 -2.710 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 -14.152 4.224 -4.344 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 34.216 -6.265 1.185 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 1.306 -1.787 -1.345 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 9.702 24.268 1.723 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 -11.782 -9.530 13.154 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 4.283 2.458 -0.946 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 -19.121 3.215 -7.913 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 7.342 -9.749 8.600 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 6.589 -1.870 -3.040 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 -0.482 -4.210 -4.877 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 14.262 -1.363 -4.636 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 -3.710 -4.154 -3.443 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 2.465 2.132 -7.809 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 -4.325 6.827 -6.279 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 5.239 5.574 -4.180 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 20.515 -30.156 -18.708 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 -13.867 -3.937 26.856 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 0.202 2.313 4.036 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 -4.306 -5.631 7.148 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 11.684 5.572 7.697 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 -1.097 5.701 2.309 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 3.048 6.640 -3.309 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 0.150 5.456 7.991 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 -2.361 -0.350 -8.031 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 2.660 1.153 -4.941 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 14.013 4.147 1.579 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 -0.433 4.076 10.778 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 -6.793 15.446 1.063 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 0.054 6.742 24.032 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 -0.008 -7.520 -1.471 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 -3.844 -7.194 6.651 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 4.049 11.539 -2.412 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 -8.929 -1.590 -0.500 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 9.249 3.394 19.052 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 -15.793 9.896 -5.209 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 2.049 9.103 3.404 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 -8.655 -20.979 -5.604 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 8.929 3.578 -2.649 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 -7.954 -7.053 3.978 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 -17.144 -9.627 -1.200 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 -2.506 -6.158 -1.295 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 7.655 1.407 -7.285 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 8.314 -12.658 -18.495 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 3.360 21.415 25.815 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 -1.228 1.909 -4.497 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 -24.666 -15.023 -25.460 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 -28.097 -12.499 -18.584 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 8.560 2.416 5.595 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 27.892 -0.608 18.523 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 -3.806 0.069 -8.103 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 2.721 2.685 -6.551 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 -7.067 -1.387 -1.201 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 2.314 6.575 -25.855 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 -0.032 5.601 -0.772 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 -11.255 2.192 2.542 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 14.009 2.638 11.526 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 5.517 0.767 -4.658 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 2.700 10.483 -9.133 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 4.495 -11.061 -1.967 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 -2.857 2.264 -4.338 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 -29.786 17.176 6.739 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 2.411 -0.132 -3.469 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 -9.571 -4.901 9.627 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 -19.227 -13.961 -13.822 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 -0.810 11.642 3.674 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 2.754 -2.658 4.213 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 12.060 -8.630 -3.054 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 11.423 -12.385 -10.037 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 -0.779 -1.992 1.069 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 4.768 11.495 4.207 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 -0.005 -2.410 2.134 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 -0.575 6.047 -4.071 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 4.101 11.180 -8.824 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 -6.073 -1.354 1.152 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 0.445 -2.617 4.632 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 3.782 -4.776 0.871 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 14.782 3.883 16.585 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 6.577 1.975 1.591 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 -13.807 21.607 -6.274 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 -11.476 -16.002 24.733 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 6.445 -3.584 -3.670 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 6.188 -10.830 -9.643 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 5.125 14.940 12.639 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 1.262 -2.064 -4.679 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 24.159 -11.574 14.068 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 2.046 10.792 -3.008 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 0.924 0.505 1.274 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 13.619 9.629 14.969 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 -2.277 12.311 0.397 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 -1.838 -1.487 -0.938 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 -8.100 25.084 4.221 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 -1.727 -23.640 -6.569 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 -3.649 -0.206 -4.515 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 1.315 8.665 -15.101 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 2.662 -4.939 -19.430 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 2.204 3.463 1.421 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 -4.425 -3.545 7.892 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 2.978 -11.851 -7.467 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 2.158 -2.445 1.654 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 -10.356 -6.822 2.478 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 10.600 -5.519 -35.302 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 -2.519 -1.965 -3.968 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 -7.595 -9.140 -2.573 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 -10.399 8.953 -1.768 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 2.740 -0.022 -1.363 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 -14.521 0.872 5.614 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 7.804 -14.843 1.183 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 1.144 -2.094 -5.060 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 14.129 10.033 2.784 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 -2.551 7.526 17.553 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 1.688 -6.766 0.054 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 7.465 -7.168 -9.021 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 9.963 -12.158 6.872 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 -5.772 -3.911 -7.565 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 -13.816 -11.855 -20.444 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 7.715 2.435 18.781 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 1.515 -7.422 -2.373 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 1.415 -5.860 -7.102 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 0.112 -4.074 -13.457 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 0.540 4.216 -1.465 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 4.971 9.603 8.904 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 -0.473 -12.689 -14.312 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 3.559 -1.732 -5.806 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 16.889 -18.738 23.435 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 -2.009 10.204 -10.116 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 1.222 -6.076 3.814 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 13.779 5.536 17.589 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 -12.888 -17.315 -11.649 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 -2.952 -0.602 1.594 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 -6.363 -7.984 -17.771 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 12.519 -11.605 -3.410 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 4.391 -2.154 0.740 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 -6.224 14.507 -8.416 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 -3.604 -8.710 -20.085 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 0.825 -3.594 5.963 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 5.476 -6.837 18.923 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 4.604 3.552 3.143 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 0.154 -4.526 6.106 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 0.586 -10.736 8.295 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 2.108 -1.733 16.214 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 0.274 2.200 -0.860 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 1.346 -12.320 -24.869 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 0.090 -0.192 -1.799 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 -4.740 -3.669 1.638 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 -13.982 2.429 1.670 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 11.395 -13.929 -7.532 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 -2.614 6.996 -2.123 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 -13.389 11.309 -9.966 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 -32.392 14.537 10.509 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 1.148 -0.897 2.301 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 -10.137 -2.860 9.633 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 2.744 -9.817 10.450 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 -2.184 5.270 4.598 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 0.372 13.074 19.486 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 0.734 -3.907 6.939 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 0.824 0.088 10.040 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 12.986 6.844 -1.579 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 2.930 9.698 0.453 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 -1.693 -0.386 2.179 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 8.748 -5.726 2.109 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 -3.937 14.773 20.754 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 -2.613 3.632 1.908 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 -2.832 -14.860 -19.175 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 -1.302 25.603 -3.992 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 -0.184 -6.814 -1.022 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 -6.645 -2.827 -1.791 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 -9.579 0.854 -2.831 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 10.113 -2.615 -5.404 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 -6.482 7.702 -1.483 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 10.334 -8.513 -16.576 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 2.372 4.142 -1.397 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 -10.380 -18.709 -12.468 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 12.349 7.527 11.833 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 4.716 0.183 3.464 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 -17.797 -21.823 -4.524 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 -7.371 -7.181 2.363 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 -1.023 -6.265 0.882 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 -0.682 -2.241 1.399 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 -8.114 6.491 3.562 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 0.326 5.136 0.137 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 0.383 -11.140 2.845 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 2.087 9.612 -10.085 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 -5.813 2.029 -3.123 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 -15.000 -8.005 -9.041 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 0.869 4.771 -2.846 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 -2.056 -0.621 1.708 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 1.307 3.263 -5.131 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 12.396 -12.957 -9.684 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 -8.123 4.359 3.948 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 -8.583 -11.138 5.666 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 -6.854 -0.100 -6.001 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 -3.301 -2.397 -7.479 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 -12.288 -34.011 6.958 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 -1.308 0.289 -1.054 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 -0.216 -9.062 0.797 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 11.251 21.292 10.540 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 -14.801 25.227 13.787 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 5.884 -7.366 -1.945 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 10.961 -17.017 -2.418 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 -28.251 26.400 -20.017 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 -2.792 -0.618 -4.098 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 7.001 -34.168 -18.256 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 -3.608 12.470 -10.671 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 5.853 1.555 -0.281 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 -0.524 -0.986 24.294 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 -4.747 -5.123 2.638 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 -0.187 -1.257 -1.991 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 -10.297 0.232 -1.853 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 1.346 -1.756 12.087 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 -5.983 -2.126 5.021 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 -1.057 1.286 29.607 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 -15.284 4.466 -4.706 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 -4.123 -0.945 0.415 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 -7.432 10.323 10.385 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 3.362 22.822 26.029 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 11.362 -9.146 7.871 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 5.179 -11.266 4.700 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 10.227 -1.786 9.578 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 -0.307 -4.009 1.372 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 -29.711 -7.218 -25.378 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 -19.557 21.566 12.257 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 -0.799 -11.344 6.721 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 -17.385 -4.383 4.129 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 -4.090 -13.357 21.456 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 -1.190 -3.546 1.731 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 -5.137 -3.229 9.065 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 3.022 -2.232 -9.781 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 -1.794 0.425 2.022 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 50.448 -21.786 11.378 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 -8.981 11.548 2.636 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 -0.934 0.772 -1.430 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 1.561 -1.039 1.564 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 0.505 -1.328 -4.872 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 0.888 6.271 3.263 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 1.693 6.204 2.978 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 7.039 4.827 11.463 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 -5.829 6.028 3.762 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 -4.153 5.224 -4.395 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 -3.491 14.051 -8.412 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 -1.515 5.784 0.679 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 -0.376 0.663 -2.239 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 -1.302 7.983 0.744 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 7.157 7.188 2.883 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 19.626 -1.190 2.912 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 7.710 5.245 5.407 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 -0.290 0.757 0.105 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 -1.843 9.666 -26.350 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 0.329 5.767 -10.850 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 -5.374 -5.295 5.068 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 14.574 -7.897 0.494 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 -18.815 0.295 -0.003 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 -8.671 -2.155 -3.212 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 -6.400 14.447 12.460 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 10.833 -0.124 17.004 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 4.402 1.174 -0.428 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 7.272 -13.872 1.223 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 5.593 -5.940 0.497 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 -0.539 1.531 -1.173 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 -0.731 1.666 -1.891 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 -0.760 7.220 -6.150 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 -3.694 5.096 0.655 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 -1.688 -4.909 4.504 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 14.277 -7.290 22.663 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 4.518 -5.018 3.769 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 -7.818 7.078 -4.217 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 7.050 -34.283 17.665 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 0.381 3.940 -4.253 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 12.877 -0.397 -15.582 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 5.150 -1.465 -21.885 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 0.927 -1.493 -0.953 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 13.018 -0.795 -6.363 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 -4.855 -11.287 -3.898 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 -4.926 7.087 -4.821 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 1.108 -23.238 -11.685 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 -7.157 -3.925 -10.272 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 2.728 -1.749 -7.850 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 -29.276 -0.149 12.751 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 21.141 -1.325 -10.898 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 -1.380 -0.965 -4.047 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 5.079 -3.312 5.772 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 -5.405 -9.720 -15.460 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 3.015 4.129 1.664 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 -1.820 2.172 -9.456 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 10.198 17.185 16.354 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 -5.099 1.096 1.136 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 8.778 13.201 3.239 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 -20.328 -33.824 10.623 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 -2.903 -0.142 -3.776 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 -7.098 3.048 -3.611 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 -5.825 -3.939 -3.913 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 -0.405 3.841 3.018 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 -1.037 8.492 -12.258 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 15.993 3.820 6.945 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 -4.718 2.320 4.359 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 18.116 6.982 12.178 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 -25.094 18.001 6.225 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 3.978 0.850 -0.680 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 5.822 -5.940 25.002 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 2.641 -13.892 10.506 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 5.621 -6.534 -1.639 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 16.863 -0.697 -19.082 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 -7.616 12.834 7.379 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 -5.202 -4.449 -4.521 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 -1.511 -11.846 -13.047 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 -10.659 4.067 4.120 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 -0.910 5.136 -4.931 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 19.444 12.166 -8.397 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 -1.026 -2.493 -10.192 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 1.971 1.350 -9.913 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 -11.600 -17.430 -2.666 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 13.608 1.691 -13.363 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 4.066 1.975 2.319 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 33.867 -4.114 21.267 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 5.082 -19.415 -6.490 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 -2.335 -1.010 -4.004 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 25.957 -15.140 22.508 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 -3.335 -6.093 3.497 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 -1.963 1.492 6.720 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 4.477 -4.795 -4.777 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 -6.578 -1.750 -5.761 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 -3.852 7.862 4.187 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 10.268 -3.599 7.483 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 26.529 20.300 3.939 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 -4.555 -6.455 2.229 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 7.768 -20.072 10.156 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 -12.793 2.562 -2.240 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 1.733 2.778 1.568 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 -11.505 0.971 12.761 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 5.926 -4.054 -1.523 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 5.920 1.076 7.922 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 -7.610 9.661 12.904 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 2.862 -11.749 11.475 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 -3.826 4.348 -4.397 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 10.314 -2.855 -6.392 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 6.788 0.299 3.152 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 0.290 -0.715 1.273 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 3.618 8.155 -0.395 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 2.490 17.650 -2.755 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 -10.755 -0.562 3.479 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 -19.551 4.666 -11.563 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 2.572 -1.597 3.516 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 0.390 2.857 6.618 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 20.233 -5.429 -7.793 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 -21.123 3.933 -38.156 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 -3.982 0.145 -1.540 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 9.221 -29.789 -18.613 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 1.079 -14.598 -18.628 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 2.283 -1.094 0.007 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 22.770 -1.155 -15.818 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 1.688 -2.059 -4.543 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 -4.080 2.661 -0.519 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 -32.166 9.846 -17.327 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 0.389 -1.628 5.156 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 -1.790 3.827 -7.742 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 4.368 9.551 -13.696 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 -9.541 -7.914 14.596 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 2.286 -3.424 0.971 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 -6.044 2.943 -22.749 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 15.455 -15.004 -7.018 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 6.589 -6.686 1.195 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 -1.511 5.723 -8.651 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 -5.364 -10.284 13.573 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 -2.313 4.950 -1.174 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 1.028 -7.928 11.732 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 -27.157 20.817 15.856 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 -3.094 -1.458 -6.216 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 -10.843 -0.915 -0.692 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 -18.571 4.053 0.018 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 1.488 1.566 6.226 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 0.268 -16.477 -4.660 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 9.758 4.534 1.039 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 -1.717 -2.182 3.511 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 6.563 -8.293 20.416 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 -6.342 -17.259 0.663 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 1.293 -0.045 1.403 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 6.720 21.600 14.117 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 -26.676 4.561 -12.463 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 -0.532 0.411 3.595 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 4.349 4.736 6.966 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 -13.437 4.332 -0.399 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 -1.127 2.421 1.121 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 -13.404 -2.178 10.356 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 0.893 -2.180 1.218 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 -0.122 0.632 -4.207 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 8.106 7.608 9.380 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 20.426 11.573 -11.274 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 -0.140 -8.050 -4.559 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 5.827 -7.084 8.948 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 -0.205 1.686 22.367 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 3.944 4.000 0.589 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 -4.114 -2.224 1.450 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 -3.048 -1.389 -5.690 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 1.341 3.137 -2.090 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 6.428 9.118 -17.450 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 14.490 13.936 6.802 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 2.256 2.842 -0.421 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 9.601 -38.630 11.032 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 -4.442 -3.669 -2.077 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 -2.409 -1.237 -1.031 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 20.651 -8.038 -19.698 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 -6.807 0.235 6.643 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 0.558 3.905 -1.458 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 1.713 6.026 5.115 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 4.259 10.716 17.926 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 3.423 -5.231 0.486 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 -1.118 -4.539 5.568 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 7.476 -1.886 1.177 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 -0.388 7.076 2.499 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 5.977 -4.359 -9.429 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 6.857 -4.964 -8.659 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 1.661 -4.502 8.693 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 -6.930 9.137 -34.968 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 9.060 6.458 0.783 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 1.067 -1.684 -0.519 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 5.269 11.694 6.367 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 -16.917 0.956 -27.949 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 3.799 -2.272 -1.283 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 19.702 18.410 -4.186 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 -25.290 -23.959 -8.769 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 5.850 2.591 -0.594 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 1.825 38.411 -0.853 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 -7.423 20.868 31.636 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 4.130 4.776 7.178 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 -9.513 -1.482 -4.484 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 -5.187 0.692 -0.718 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 -0.756 -4.250 1.338 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 24.574 -9.707 -17.259 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 -3.160 0.954 9.079 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 -2.754 -2.108 0.855 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 -15.092 4.340 10.372 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 11.331 1.870 10.061 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 -0.715 -4.505 -1.119 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 -19.583 -13.389 6.484 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 6.078 -2.237 12.993 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 4.056 -1.644 6.104 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 7.396 4.606 -2.062 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 -14.430 -15.282 13.650 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 -0.068 3.936 3.136 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 -3.217 19.256 -3.048 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 5.586 7.427 17.489 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 2.808 3.042 0.845 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 1.948 -7.511 -5.351 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 9.088 4.136 2.659 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 2.733 -1.112 3.145 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 -3.120 18.449 5.947 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 -10.943 -9.914 -14.662 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 2.805 -3.635 -5.038 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 17.911 12.738 -15.147 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 20.254 13.904 -13.976 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 5.589 -2.173 -2.000 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 -3.997 -1.947 -8.375 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 10.387 -8.595 -13.430 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 -2.790 3.881 -1.392 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 -0.696 8.658 4.242 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 -8.050 7.544 -5.649 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 -6.914 2.254 -1.787 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 21.755 15.189 8.210 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 11.169 -26.257 -1.488 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 -2.432 2.810 0.968 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 -14.030 -0.682 -0.572 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 6.510 2.680 10.654 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 5.865 2.614 4.760 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 6.358 20.787 1.064 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 7.108 4.245 -2.525 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 -3.401 -1.613 2.510 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 -6.152 -6.176 -12.615 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 0.399 -5.872 5.172 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 7.155 4.579 0.636 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 10.081 -3.382 -10.928 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 -5.822 6.512 -1.523 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 -4.606 -3.721 -3.289 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 5.938 4.211 -16.142 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 1.288 -2.617 -10.424 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 1.482 -2.452 -0.323 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 12.011 -13.608 3.244 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 -16.479 24.758 11.757 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 7.441 2.951 1.880 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 4.247 7.844 -16.280 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 -6.693 5.117 -1.815 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 -0.548 -6.137 -0.607 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 10.820 -5.525 -1.975 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 -8.274 1.161 -9.708 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 -2.199 -3.675 3.131 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 -22.767 -18.572 31.053 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 25.173 21.066 12.801 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 -1.363 3.479 2.552 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 4.377 7.634 8.846 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 2.868 1.048 -10.572 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 -2.158 0.996 -1.119 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 -0.242 0.797 -5.719 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 6.384 -0.929 -13.359 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 1.528 2.518 -2.245 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 15.029 -11.884 -33.492 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 9.250 1.079 -23.474 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 0.067 -1.591 6.081 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 2.828 -2.637 -2.713 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 0.619 -3.023 2.687 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 -1.556 -6.080 -4.128 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 9.955 -3.098 1.677 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 6.167 17.431 -3.014 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 1.121 -0.504 3.687 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 16.037 -9.638 5.041 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 0.869 -2.152 0.550 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 3.768 3.481 -3.851 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 -4.421 0.096 7.230 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 -7.963 -3.611 12.158 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 -4.321 7.011 2.627 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 -12.574 -2.318 0.594 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 7.626 14.994 4.554 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 6.662 -3.570 -5.545 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 -3.944 -22.086 -7.936 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 11.421 -20.281 3.902 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 -0.079 2.918 0.749 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 -12.431 -13.682 4.339 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 -6.319 -13.119 -2.178 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 -1.686 0.448 2.694 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 -19.451 -23.356 -17.386 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 7.253 8.890 11.740 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 -1.117 -4.243 -4.573 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 0.112 -1.524 -5.830 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 9.015 19.125 -6.317 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 -3.998 4.376 2.738 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 -4.562 -6.601 2.967 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 9.225 4.972 1.883 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 -2.095 -7.088 4.478 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 -4.737 -2.753 2.749 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 -6.851 3.274 2.142 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 1.974 -5.737 0.319 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 -11.170 -3.494 3.216 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 -22.621 -11.918 8.428 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 4.220 -0.827 3.301 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 8.054 23.623 3.284 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 -22.181 11.579 6.203 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 -0.231 1.154 7.039 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 2.720 7.773 15.619 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 7.616 -6.549 7.806 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 -2.048 -2.138 3.493 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 9.423 0.934 12.552 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 6.215 -23.505 -2.187 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 -0.608 -1.495 -0.050 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 0.847 5.383 -5.800 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 -1.913 14.288 14.689 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 1.071 -6.102 0.353 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 -14.306 -11.226 0.589 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 -21.192 -8.568 3.210 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 -1.099 -0.859 -10.801 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 -8.603 8.292 -10.042 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 1.474 -2.282 -22.425 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 6.053 -4.598 -5.320 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 2.283 -4.597 -4.734 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 2.494 -3.792 -4.292 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 -2.139 -8.865 -3.154 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 -1.518 3.501 4.409 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 -0.923 -17.325 -3.524 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 -8.857 5.021 1.552 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 -18.481 0.263 -3.022 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 1.249 0.420 11.845 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 4.464 2.162 -4.360 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 0.589 8.199 0.067 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 -18.452 12.732 -5.207 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 -1.036 2.059 -2.961 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 0.718 -4.737 3.586 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 -5.500 3.709 2.148 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 3.034 3.679 -0.199 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 20.897 4.236 7.558 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 -16.811 -27.366 5.303 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 -6.564 -2.764 6.278 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 -18.139 -6.238 9.370 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 24.910 -4.233 5.279 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 -7.503 0.501 7.101 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 -13.734 3.899 8.769 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 -23.448 15.568 -23.005 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 3.290 -3.805 -7.757 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 21.914 3.147 -9.099 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 2.429 -13.733 -10.913 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 -1.323 -2.414 2.748 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 2.178 -3.465 1.437 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 -12.342 4.682 7.296 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 -1.150 -5.196 -2.178 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 7.323 -12.211 1.629 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 -13.473 -0.687 -18.163 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 -5.800 2.655 1.762 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 -12.777 -16.313 -3.339 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 11.790 -2.087 -7.720 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 -1.049 -2.725 -2.799 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 0.610 15.871 12.620 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 -1.781 6.752 -11.737 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 0.015 -4.213 3.493 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 -15.525 -9.350 12.638 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 11.062 -2.752 -7.876 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 -0.792 -4.550 -2.421 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 -16.492 4.353 16.781 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 -20.198 8.043 18.578 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 2.671 -9.839 -5.526 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 17.935 -5.068 -26.715 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 -4.603 -9.389 -2.614 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 1.277 1.290 -2.285 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 -11.041 -3.230 -3.688 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 7.078 8.997 -12.367 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 -2.211 3.392 1.551 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 17.004 -4.724 10.204 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 -13.347 6.249 4.311 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 -0.812 0.189 6.861 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 -17.089 9.680 1.805 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 2.603 4.009 -8.259 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 -8.439 5.442 2.055 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 0.500 -18.131 1.571 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 6.090 20.064 -10.168 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 -0.894 -0.468 -1.030 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 0.712 -7.149 -0.062 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 -6.018 -7.142 8.733 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 -1.676 -3.033 -3.687 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 8.809 -3.737 -9.928 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 -1.517 -11.372 3.009 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 -6.407 1.472 5.185 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 15.007 3.962 3.459 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 -6.539 16.293 12.407 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 -0.138 5.009 5.015 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 -13.017 -24.738 4.645 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 -8.006 -32.831 6.730 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 -5.289 0.650 -3.267 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 -0.176 -4.381 1.257 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 -7.367 6.080 8.881 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 -1.907 -5.664 4.158 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 -13.714 12.502 -6.139 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 -11.066 -11.240 -18.427 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 -4.713 3.297 4.888 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 21.381 10.108 7.902 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 -0.455 4.958 4.820 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 -1.743 -2.220 3.974 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 6.906 1.816 6.440 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 -16.116 17.078 8.947 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 5.620 -8.873 0.136 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 -27.337 -5.747 -31.581 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 -9.207 -6.476 -5.426 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 6.634 0.903 -1.947 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 -28.890 -7.925 5.203 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 9.369 4.987 -8.449 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 3.283 0.530 5.091 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 -15.789 8.249 14.659 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 8.418 -0.401 -4.040 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 -10.093 -3.211 -0.184 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 -11.479 -1.692 0.431 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 -9.992 -0.773 -7.923 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 -6.234 3.114 0.953 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 10.662 -9.338 9.644 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 10.329 -5.530 0.450 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 -4.194 0.956 -4.173 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 -8.714 13.886 -0.748 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 3.825 -2.471 -9.435 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 -1.093 -2.140 2.051 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 15.012 11.626 -20.003 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 5.578 -8.496 -4.656 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 -3.581 -1.353 -2.034 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 -17.339 6.113 24.732 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 3.810 2.453 -7.408 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 -0.691 -1.571 -3.464 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 -0.832 -0.639 -5.410 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 -2.456 2.273 3.715 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 3.898 3.778 -0.471 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 -2.298 13.460 4.841 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 -20.231 2.365 -13.083 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 0.542 -9.186 3.473 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 -3.766 -7.427 1.600 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 16.002 23.727 17.010 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 -0.566 -1.950 -1.840 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 5.582 -6.859 -4.401 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 -0.229 -3.306 -1.746 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 3.622 4.672 -0.001 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 -5.456 -1.556 2.358 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 5.383 4.105 -1.371 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 -4.385 -3.985 4.184 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 -7.394 -7.458 7.936 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 -38.168 -22.454 -13.111 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 -3.468 1.276 0.933 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 5.713 3.157 -10.294 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 -16.921 8.143 10.448 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 -9.187 0.150 1.312 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 -2.116 10.388 4.006 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 -8.657 2.959 -11.089 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 0.289 3.855 0.467 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 30.985 -8.611 2.647 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 -5.950 -7.306 3.125 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 -1.846 -3.855 2.070 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 16.680 -14.366 -3.637 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 -14.201 -8.001 -3.858 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 3.998 4.171 3.810 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 9.558 -4.660 13.361 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 0.002 7.891 10.967 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 -4.234 -2.796 -3.766 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 8.727 -31.209 -19.318 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 5.580 -5.958 12.878 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 5.727 4.181 2.476 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 -3.358 4.734 -14.610 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 12.290 8.207 -14.288 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 -0.085 -0.492 -5.553 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 -5.386 6.182 -10.724 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 7.347 -10.994 0.425 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 4.298 -3.357 -3.573 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 -19.468 -28.838 -10.846 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 -3.977 0.437 31.169 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 1.174 -3.134 7.121 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 -15.486 1.528 9.473 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 -2.589 -2.501 7.369 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 -2.091 0.982 3.690 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 -11.616 -14.387 1.779 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 21.009 -9.551 -30.035 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 5.417 3.081 0.114 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 9.329 0.698 22.819 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 -15.266 32.894 -18.497 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 2.805 0.966 -5.729 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 -3.413 -13.122 -16.845 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 -12.895 7.769 2.088 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 -5.173 -5.167 1.023 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 6.497 0.142 -6.278 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 7.114 -5.994 -2.655 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 3.581 -5.121 -6.044 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 -2.269 6.700 18.275 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 -8.603 24.303 -12.141 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 -2.161 2.209 -10.786 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 11.582 14.665 -3.441 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 2.415 3.665 -7.673 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 -7.844 7.302 -1.735 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 -16.414 -18.992 -9.078 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 -19.817 -0.242 -14.583 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 1.702 2.747 1.243 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 18.223 -0.406 -19.936 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 1.721 1.536 -0.552 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 -5.001 -0.468 -0.525 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 0.248 -4.820 -9.362 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 1.683 -0.296 4.297 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 3.394 1.884 -1.593 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 -4.853 -10.513 13.872 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 -23.404 -8.623 -10.962 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 -4.539 -5.228 -2.933 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 -17.841 7.348 -4.759 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 3.967 -9.876 -10.107 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 1.118 -1.084 -0.486 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 14.011 -26.830 -11.187 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 -22.664 -6.322 9.527 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 -1.929 1.452 6.672 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 5.978 3.517 2.480 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 -14.650 -37.207 9.821 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 -6.177 -3.786 2.319 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 -4.280 13.868 3.995 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 6.568 -2.331 3.277 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 3.830 3.961 -2.470 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 -18.420 -3.947 -11.798 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 12.666 1.196 2.403 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 -2.067 -6.027 4.540 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 -11.209 -25.748 35.546 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 -2.338 7.019 -9.332 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 1.205 -3.502 9.052 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 7.776 -13.898 3.622 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 17.818 -6.719 19.302 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 -2.138 -8.079 0.658 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 5.093 -15.834 -23.281 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 8.935 -12.480 -0.444 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 -0.383 8.759 -4.196 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 -30.128 8.094 -6.851 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 6.050 0.780 21.733 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 -2.393 2.126 0.292 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 -2.488 0.198 0.127 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 -6.740 3.769 2.197 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 -0.531 -9.100 -5.931 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 -5.758 -13.351 -9.960 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 -13.453 -1.376 -17.441 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 -0.451 0.619 -5.012 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 -17.051 -13.442 5.417 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 4.042 -0.710 -13.769 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 -2.211 5.679 -1.138 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 -11.781 17.944 26.298 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 12.782 1.272 -26.089 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 1.384 6.126 -7.948 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 -7.949 0.187 28.069 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 2.981 6.992 -11.892 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 -3.840 -2.572 -3.609 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 -4.657 34.360 -26.905 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 1.130 -14.079 18.147 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 1.785 -2.641 0.135 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 6.729 7.140 5.427 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 -4.723 -0.276 -7.491 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 5.148 -4.684 -1.619 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 -10.478 -5.149 -5.909 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 12.481 -17.098 -8.820 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 1.220 9.765 -4.306 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 -0.220 -6.917 23.054 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 -15.510 7.353 1.696 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 0.368 -1.522 -1.430 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 28.150 -14.510 -10.675 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 4.213 11.973 11.466 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 -5.884 4.657 0.390 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 -9.337 -0.320 -3.362 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 0.188 4.277 12.826 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 1.366 -4.037 5.099 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 14.684 -0.996 14.242 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 -11.866 11.697 8.862 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 5.155 0.401 0.253 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 -0.524 -4.691 -25.501 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 13.362 29.659 0.731 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 0.423 3.146 0.347 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 -5.698 1.963 17.817 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 -1.020 -17.096 -41.039 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 3.048 5.643 1.326 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 2.329 -23.205 8.214 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 2.406 -21.283 7.719 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 2.410 0.876 -3.668 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 7.935 -3.837 4.143 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 5.765 -2.932 2.119 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 -1.984 -3.937 7.146 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 6.035 10.048 10.751 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 5.072 8.068 11.094 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 3.696 -2.961 -0.371 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 3.447 -2.365 -14.044 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 2.486 -2.697 7.900 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 -0.258 -5.155 -0.085 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 -16.727 16.297 -1.766 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 -0.697 9.235 -2.307 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 -0.347 3.437 -4.988 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 3.916 -2.838 -4.429 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 -9.736 -20.106 -7.093 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 1.858 -0.764 -1.333 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 -8.556 2.390 4.358 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 21.732 -7.190 -12.488 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 -2.787 2.135 -0.858 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 16.911 8.362 12.823 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 2.978 6.172 8.273 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 -3.589 -6.415 1.438 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 -5.087 -12.459 -4.251 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 0.094 -3.753 4.680 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 -2.241 -3.171 0.973 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 -10.840 -7.898 -2.868 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 -19.749 -13.637 -7.205 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 -5.037 7.986 1.244 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 5.882 10.361 7.579 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 -15.514 3.141 8.263 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 4.533 -4.453 0.970 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 8.482 -8.417 6.246 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 -0.442 -0.087 5.244 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 1.098 4.569 -4.539 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 6.156 2.567 -3.280 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 -9.176 8.893 -1.228 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 1.992 3.589 -2.571 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 6.707 3.476 -0.161 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 -3.303 14.874 -3.111 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 0.710 -0.949 5.407 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 22.631 -6.766 12.607 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 8.003 -8.444 2.090 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 -6.271 3.364 0.850 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 5.466 6.447 5.285 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 12.137 8.495 8.306 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 -5.297 0.064 -2.952 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 5.183 -6.586 7.915 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 -2.594 2.869 -9.730 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 2.061 -1.034 1.006 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 -11.555 24.155 -8.176 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 4.696 -12.883 -20.726 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 2.324 -1.803 3.126 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 -33.555 6.919 -23.487 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 -23.212 1.125 15.332 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 -4.191 1.741 1.379 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 6.676 -6.003 19.487 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 10.469 -3.415 -8.899 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 -2.869 -0.248 4.471 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 2.851 9.735 5.530 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 -1.302 -2.225 34.639 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 -3.608 8.373 1.226 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 -19.830 -25.622 0.278 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 -17.049 24.837 27.528 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 5.028 -0.756 1.823 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 11.161 -19.379 3.157 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 -10.281 0.982 1.057 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 0.682 -5.633 5.712 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 -8.418 -21.826 -3.365 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 -21.146 18.049 -15.077 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 -2.630 -4.765 1.146 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 10.510 -6.661 -30.742 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 -8.855 -1.152 7.626 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 0.233 0.981 -5.790 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 3.149 -2.775 -5.355 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 9.677 -9.894 -4.986 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 0.657 -2.185 -0.762 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 -11.175 -10.881 -1.564 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 3.695 -9.684 -15.404 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 1.361 -0.130 2.464 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 8.170 -11.045 -22.758 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 -14.541 7.205 -20.662 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 -5.464 -1.443 1.330 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 -0.347 21.755 21.515 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 -5.285 -3.124 -0.952 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 -4.024 0.436 0.821 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 6.940 24.744 -8.993 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 -2.967 3.887 3.263 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 1.103 5.197 2.251 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 -4.631 -5.304 1.458 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 7.979 18.235 1.762 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 -1.927 -2.573 -1.412 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 -12.605 -1.275 -10.796 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 6.925 -1.607 4.758 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 3.758 3.362 -1.190 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 9.288 9.996 -6.176 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 12.468 -15.258 -9.453 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 -3.510 -0.035 -4.855 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 0.538 -5.023 1.116 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 -10.699 -4.475 -7.238 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 2.284 0.144 -3.010 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 8.315 10.901 -3.958 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 4.642 -0.026 2.785 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 2.337 9.937 -4.302 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 7.663 11.278 -9.045 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 14.555 -0.413 -5.229 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 -1.091 -6.830 -0.686 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 -24.728 30.482 -0.773 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 -3.295 6.723 -9.197 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 0.696 -2.907 -0.803 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 -3.726 16.571 3.555 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 -13.426 -12.841 11.410 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 -4.061 -0.359 0.564 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 5.959 -0.007 13.050 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 -0.068 13.279 -14.624 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 5.728 -0.152 0.262 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 26.992 -5.317 -26.487 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 3.165 -0.780 7.315 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 -0.150 4.610 0.752 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 3.966 5.314 -3.289 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 -5.966 3.351 -6.291 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 3.113 1.999 1.842 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 10.425 -15.516 8.373 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 11.683 -18.370 -27.780 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 7.304 3.617 -5.652 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 12.411 -7.239 2.830 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 -3.602 34.959 13.970 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 -2.416 -4.695 2.722 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 10.572 -17.397 -5.242 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 -18.506 -19.769 12.029 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 -3.560 5.375 2.820 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 16.551 -2.800 -0.012 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 1.393 20.038 11.819 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 0.089 1.183 -4.955 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 -0.098 0.159 -10.304 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 -5.948 3.637 -2.526 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 -0.356 -5.362 -6.291 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 -9.546 -13.586 -10.329 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 3.960 -1.938 -4.295 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 0.648 2.350 0.523 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 -5.948 -17.051 -0.311 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 -14.515 -17.062 -9.524 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 0.562 -2.620 -4.513 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 15.125 17.599 13.014 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 -8.955 -21.018 -7.574 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 1.997 -6.021 0.284 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 -2.004 5.180 -20.913 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 -1.542 0.172 16.288 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 9.293 -2.988 -7.162 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 14.250 2.407 7.740 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 -18.161 13.585 -1.580 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 5.928 2.461 -4.146 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 7.459 6.365 -4.619 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 -1.130 7.221 5.488 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 -2.240 3.783 6.867 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 -10.550 -2.734 -7.214 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 -11.307 16.642 12.695 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 -2.915 5.098 -5.030 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 12.400 22.513 2.021 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 3.050 -9.449 2.482 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 -3.875 -1.655 -7.508 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 -6.945 -16.103 5.578 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 4.341 -17.192 13.701 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 6.255 -1.765 1.315 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 -6.815 -37.558 3.584 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 22.770 35.489 -6.162 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 -6.242 -1.909 2.267 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 -8.750 -10.897 5.304 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 -13.068 6.272 -5.261 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 2.825 0.957 -3.679 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 -4.073 -8.882 9.618 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 10.883 -4.843 -11.263 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 5.953 4.253 -1.210 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 10.065 6.838 -1.990 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 1.836 -1.174 -0.655 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 -1.575 0.417 -3.362 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 6.079 11.865 -7.168 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 13.144 -2.482 -0.671 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 -5.382 0.898 -4.741 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 1.763 9.623 -12.499 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 -16.070 10.683 9.272 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 2.448 5.442 5.016 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 -11.442 0.725 3.820 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 18.566 -3.550 -12.452 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 -0.938 4.721 -3.825 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 3.788 -12.554 0.641 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 -6.311 24.769 -5.834 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 3.485 -6.871 5.135 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 13.520 5.695 1.666 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 5.848 -8.656 9.927 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 1.836 -3.056 -1.788 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 -0.799 6.579 -4.903 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 -14.748 -4.795 -7.848 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 4.621 3.739 -3.243 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 37.058 9.081 -20.944 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 3.551 1.355 2.664 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 6.577 -5.805 -2.226 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 17.561 8.063 -4.187 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 -0.473 2.642 3.540 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 -7.184 2.334 9.420 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 -15.621 -3.582 -20.221 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 7.031 1.229 17.489 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 -1.246 4.782 0.889 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 -4.650 12.719 35.124 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 -5.710 12.328 3.554 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 3.653 -2.451 6.232 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 23.296 9.390 -11.441 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 14.696 5.384 -2.262 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 2.053 2.177 -3.499 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 -8.646 3.818 15.174 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 15.480 -14.322 -1.484 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 1.111 3.100 -3.339 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 -7.028 -1.959 -1.692 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 -2.709 3.448 -10.231 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 -0.822 0.300 -1.987 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 -0.762 3.066 -0.970 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 -1.136 6.336 -3.086 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 -2.282 1.516 -3.673 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 -6.505 -11.536 -10.961 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 -6.680 -15.138 19.865 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 1.585 -4.317 5.814 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 -7.931 -11.499 -5.352 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 -0.114 -9.298 4.654 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 -2.751 -1.795 1.436 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 -5.536 -3.621 -5.843 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 3.996 2.961 0.886 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 -5.787 0.372 3.504 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 11.513 -1.905 18.511 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 -11.614 0.902 27.075 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 -1.098 -0.674 -2.537 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 6.812 6.402 -0.671 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 -10.669 4.597 0.736 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 1.365 -1.919 -0.351 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 -12.013 -10.347 -24.173 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 -15.451 -11.351 9.428 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 1.697 0.553 10.500 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 6.201 -13.614 15.650 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 3.741 -8.260 16.443 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 -4.169 4.500 -1.401 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 -2.254 13.475 -12.248 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 11.086 16.355 -12.293 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 1.640 6.938 8.184 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 9.010 26.028 -15.782 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 -43.565 12.173 -2.934 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 3.959 2.532 6.083 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 5.723 11.714 10.969 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 13.666 0.590 -1.570 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 0.746 -4.838 2.497 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 6.797 -5.260 -6.907 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 -2.894 -3.614 9.613 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 1.556 -2.401 -2.291 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 1.198 12.552 8.482 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 -3.891 15.627 -0.176 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 -7.716 4.067 2.310 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 -2.272 8.641 -9.266 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 5.515 14.562 -3.077 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 2.471 -4.029 -3.078 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 8.937 -7.736 1.724 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 -13.560 5.969 -17.550 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 -0.425 5.016 9.128 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 13.554 32.500 -10.924 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 -1.399 -1.814 -7.862 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 -3.121 8.315 1.829 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 -6.193 6.590 9.874 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 5.583 12.044 -5.567 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 0.678 2.334 -0.146 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 -10.810 4.520 4.183 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 1.618 5.795 6.148 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 -1.760 5.524 -4.707 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 -2.547 1.726 3.840 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 29.420 -7.441 -10.502 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 3.180 2.084 -2.620 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 -12.077 -17.814 6.276 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 -7.450 -32.389 2.427 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 -0.336 -6.181 -2.247 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 -13.121 -10.612 36.108 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 2.420 -4.708 -8.849 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 4.264 2.770 2.931 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 -26.572 -9.996 4.359 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 8.946 8.609 10.638 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 -1.259 -2.786 -5.049 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 0.041 -8.180 21.181 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 -1.747 -9.196 41.522 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 -3.399 6.680 -1.214 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 11.289 -1.792 -0.475 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 -21.276 -1.148 3.614 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 1.063 -5.390 -0.440 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 -11.445 -9.618 -3.217 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 -35.881 -11.493 -12.429 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 -3.522 -0.332 -6.032 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 19.237 -8.599 3.430 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 28.250 -10.085 4.137 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 1.815 -0.512 -6.221 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 2.113 -20.992 7.746 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 -17.778 32.553 -52.324 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 -5.648 5.104 -2.197 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 -3.463 -6.306 13.589 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 11.827 35.928 -9.461 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 6.287 -0.806 -3.244 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 13.806 -4.612 -25.167 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 -3.609 -6.147 30.571 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 -3.877 -5.757 -8.162 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 -11.046 -15.658 -14.882 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 3.208 -17.995 -1.816 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 -3.331 -7.566 -1.426 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 6.487 25.335 7.196 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 4.548 11.892 1.109 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 2.171 -0.661 -9.272 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 -15.526 -6.455 -2.089 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 -8.543 -2.162 -5.477 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 -1.638 3.600 -8.621 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 4.808 -13.015 12.410 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 6.810 15.339 5.307 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 -2.142 -0.562 3.875 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 3.348 5.498 -1.650 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 4.817 1.898 -9.223 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 -2.353 -5.625 -0.878 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 7.568 4.400 -13.103 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 5.866 -24.211 2.054 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 -7.073 0.263 3.432 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 5.807 0.251 19.955 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 10.791 8.919 -19.722 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 8.058 2.894 -0.046 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 12.440 8.525 -18.446 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 8.915 8.348 -4.712 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 -0.558 5.031 -5.701 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 -10.730 -6.861 -13.771 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 16.091 -6.381 -17.873 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 -5.839 -0.521 0.066 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 -2.764 2.012 -1.040 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 -8.818 -7.308 25.353 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 -5.093 4.609 -1.751 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 -23.640 13.635 7.624 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 3.380 -7.949 5.955 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 8.886 5.228 2.308 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 15.626 -2.267 -31.766 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 -11.298 -16.493 9.566 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 -2.043 -3.008 -4.552 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 -11.974 2.591 0.601 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 -6.044 -0.367 -2.348 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 0.920 -3.216 -0.055 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 -5.114 14.246 6.534 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 -16.009 -13.533 -7.109 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 -3.901 -2.271 -4.916 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 -6.952 -10.961 -20.253 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 -9.500 9.767 -10.869 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 0.043 1.908 0.439 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 0.061 -20.822 13.046 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 -6.422 11.912 -7.045 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 -5.836 0.166 -1.654 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 -32.377 -4.565 -32.516 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 -6.865 -1.366 -1.278 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 4.808 -0.856 -3.751 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 2.619 -1.226 12.175 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 -3.648 5.694 -16.481 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 -0.924 5.556 0.531 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 -3.989 7.336 -6.114 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 -9.703 10.593 -25.286 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 5.170 3.314 -0.468 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 -12.603 7.977 -20.969 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 -10.128 -18.472 -26.673 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 -1.268 -1.443 2.689 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 2.838 -18.626 -2.589 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 2.283 -6.845 0.795 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 2.556 -2.474 0.014 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 -16.071 7.516 20.425 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 8.029 9.482 -4.054 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 -1.729 -5.254 -1.132 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 -2.837 4.415 0.804 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 -10.018 -7.472 12.619 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 -0.490 -5.220 0.329 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 -16.101 -5.481 -10.168 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 16.096 5.300 12.477 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 2.597 4.760 7.839 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 -17.391 12.351 2.448 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 6.214 -3.329 15.917 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 -8.796 0.346 -0.432 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 10.816 -5.267 -2.000 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 -7.231 1.187 -7.977 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 0.222 4.592 0.253 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 3.728 5.815 14.318 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 -7.144 7.980 13.370 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 -7.407 2.563 -1.913 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 -6.388 11.372 -17.722 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 -6.031 -30.210 -3.682 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 1.481 -3.349 -1.130 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 0.776 -1.608 -3.237 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 -1.580 -15.758 13.603 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 -4.553 7.335 -6.494 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 24.169 30.575 -18.261 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 -20.709 12.150 3.005 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 -6.602 -1.076 -3.329 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 -12.513 -2.026 5.167 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 7.722 26.833 -3.186 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 5.045 2.129 1.136 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 5.276 1.821 3.894 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 6.782 2.722 18.886 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 -0.120 -10.869 1.486 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 -3.938 -10.724 3.333 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 -2.172 -7.658 4.796 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 0.689 1.024 -0.453 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 -2.992 3.428 -16.169 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 14.548 12.013 -8.431 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 4.057 -2.775 -3.407 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 -0.129 -7.295 10.641 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 7.793 -17.042 -11.205 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 -1.781 -1.741 -7.765 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 -1.702 7.233 -8.618 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 5.878 -3.255 -1.548 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 2.310 6.278 1.828 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 -5.565 8.106 11.019 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 2.547 7.526 -4.199 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 -3.729 5.902 -1.325 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 -15.716 15.572 -6.446 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 24.912 16.865 -10.779 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 3.549 3.162 1.538 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 2.877 -18.532 -4.016 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 2.208 9.493 15.407 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 -8.755 2.819 -3.044 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 8.897 -12.692 -25.241 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 -4.611 -3.465 -10.637 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 -5.133 -0.615 -0.983 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 -26.585 0.465 -3.685 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 -29.242 -6.160 9.401 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 -0.207 8.648 -2.168 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 -29.230 14.206 4.861 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 10.472 5.728 17.801 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 3.475 0.852 -1.572 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 0.556 5.220 2.103 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 4.591 -0.910 -7.000 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 0.751 2.285 -0.332 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 19.511 -2.709 -0.634 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 -6.104 15.852 -0.187 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 -0.170 0.037 -0.296 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 25.493 4.283 -11.281 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 -36.600 -11.313 -23.458 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 0.803 3.784 -2.477 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 -13.055 15.220 -4.331 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 -2.683 5.130 -1.974 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 -0.039 -1.169 -0.893 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 1.178 8.546 -0.801 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 -19.236 -6.653 -12.187 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 7.345 -5.801 -5.252 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 -8.536 2.051 -10.116 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 -25.982 0.473 2.264 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 2.869 2.070 3.158 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 5.154 1.667 5.067 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 -8.582 -13.552 0.651 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 4.444 2.538 -0.912 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 11.147 -17.720 20.213 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 6.911 15.788 -5.121 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 1.322 7.259 1.760 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 -13.179 11.394 7.999 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 -8.072 7.744 -8.213 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 -1.888 -4.849 -1.033 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 -6.580 -29.098 11.394 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 5.472 -6.979 -20.918 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 5.979 -2.960 -1.133 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 9.559 -8.086 -1.592 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 12.549 10.786 -4.194 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 0.790 -4.247 4.354 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 -8.108 -20.592 17.690 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 -6.677 -12.798 -9.949 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 4.923 1.963 -8.564 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 12.719 8.072 -3.532 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 -2.873 11.099 -8.008 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 -2.442 -3.254 0.047 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 4.739 -15.774 11.242 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 15.015 -7.057 -12.942 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 8.222 -3.508 0.482 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 10.790 13.652 -16.846 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 34.794 -22.660 -7.580 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 -8.231 6.746 0.797 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 -2.767 6.727 9.554 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 6.711 -12.720 -2.568 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 -6.103 -3.917 -1.487 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 -3.127 -8.850 -17.363 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 5.555 9.416 -2.214 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 -3.996 1.429 -1.578 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 6.828 16.606 4.476 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 -9.331 -17.911 -26.361 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 7.821 -3.268 2.070 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 -3.060 -16.298 22.991 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 -12.078 -11.560 4.530 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 -6.235 -1.622 -1.604 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 -7.375 -6.829 13.342 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 -24.053 9.851 -2.990 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 0.593 -2.454 -0.482 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 -9.308 -10.242 -6.986 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 9.672 -9.491 0.299 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 -0.107 2.629 -0.819 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 2.770 -6.044 9.685 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 -11.095 4.902 1.623 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 7.174 0.433 -2.896 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 -2.075 -10.714 -12.865 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 -10.839 9.232 -7.947 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 -4.017 -3.969 -1.599 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 -3.561 -3.411 15.297 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 7.797 1.275 7.119 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 12.569 4.430 -3.827 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 4.514 9.368 7.147 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 14.337 6.304 -2.629 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 0.736 -2.838 2.013 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 3.016 -3.449 18.088 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 -17.484 -5.497 13.039 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 2.373 2.149 -2.173 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 -2.548 12.521 -22.097 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 10.239 -10.868 22.745 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 5.582 -2.982 -0.545 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 9.527 8.047 -19.818 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 -9.549 9.854 23.720 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 -1.326 -1.646 5.678 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 0.002 0.510 16.690 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 -10.568 6.366 -14.656 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 -1.895 3.419 -2.953 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 -0.810 -18.153 -6.591 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 1.922 3.979 17.927 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 -3.710 -3.705 -1.961 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 -4.887 -3.022 -2.837 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 1.608 17.010 -26.191 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 -1.371 0.358 0.621 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 -3.830 17.317 1.849 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 0.639 -11.719 8.503 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 -4.514 0.261 2.037 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 -9.701 5.215 -6.092 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 3.792 -4.177 -2.208 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 0.396 4.896 -8.712 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 26.875 5.908 -17.192 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 -4.199 -21.593 -1.753 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 1.001 -7.754 -4.425 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 0.027 -8.055 -4.331 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 -6.921 -5.617 11.066 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 -1.475 -2.434 0.446 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 -7.098 14.445 2.127 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 2.436 24.099 4.368 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 4.634 -6.065 -2.182 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 -17.698 8.374 16.067 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 -21.363 0.087 -6.333 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 1.354 0.135 3.174 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 12.651 21.235 1.468 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 -3.867 -5.448 -1.567 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 -3.380 -2.762 0.610 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 11.033 -9.398 10.140 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 -5.358 -14.226 -12.096 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 -2.784 -3.840 0.642 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 -8.533 -10.908 2.952 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 14.884 14.793 -1.914 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 -6.788 2.477 5.730 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 -7.924 1.252 -6.150 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 -12.968 1.697 -19.698 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 6.272 -1.869 -4.741 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 11.538 -4.223 5.081 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 -6.645 -3.698 -9.166 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 4.214 -0.752 2.892 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 0.712 -9.872 -0.289 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 -11.633 4.859 16.144 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 -0.101 1.301 -4.788 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 -12.252 4.199 -3.944 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 -7.365 1.354 -10.567 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 -4.372 1.465 3.636 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 -19.279 14.207 1.102 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 -6.800 7.563 4.104 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 -3.958 0.603 -0.953 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 4.095 -12.379 18.595 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 4.637 -21.068 3.571 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 3.693 -0.547 -4.565 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 5.440 -5.852 -7.148 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 5.494 -1.383 -3.448 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 -2.742 5.183 2.741 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 3.408 17.316 -13.066 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 -21.270 6.234 -12.985 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 5.178 0.567 5.459 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 -0.577 4.097 -9.889 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 -7.189 -6.072 -18.877 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 -3.023 4.087 -3.185 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 -3.744 -3.431 10.940 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 -5.390 -8.261 22.887 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 1.335 0.828 0.731 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 4.281 3.050 2.134 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 1.162 -1.144 2.380 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 -1.504 -4.814 6.619 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 -6.290 2.850 18.512 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 5.416 -22.561 19.546 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 -1.364 -1.185 -1.443 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 -2.982 7.701 -3.121 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 7.940 -2.938 -3.408 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 -2.027 -0.558 -1.076 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 6.932 -0.355 -16.682 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 2.487 -20.613 4.764 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 -0.732 3.713 5.499 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 -3.219 14.922 10.616 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 -11.928 9.440 -4.745 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 2.449 1.363 5.549 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 6.798 -4.706 -10.113 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 -1.726 -4.179 4.622 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 -1.386 -2.107 0.052 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 1.756 15.290 13.233 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 -18.140 8.868 -13.835 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 -9.993 4.750 0.401 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 14.933 -14.204 5.936 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 -2.566 11.352 -3.429 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 0.918 0.037 -5.150 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 -4.221 -4.972 -18.616 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 0.671 -4.993 -6.590 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 1.164 -6.230 8.390 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 10.217 -9.792 -1.162 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 -1.641 10.748 2.019 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 1.597 2.310 -1.512 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 -5.593 -9.347 3.307 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 1.618 2.747 -0.875 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 -1.467 0.413 0.511 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 -7.747 -14.501 -4.680 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 13.932 0.034 -5.666 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 -6.297 1.455 1.309 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 -31.336 -3.292 1.363 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 -0.419 6.244 29.972 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 0.053 -7.368 3.462 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 13.814 3.065 16.784 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 5.806 -2.695 3.308 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 5.555 -2.055 3.491 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 9.987 -19.120 -8.348 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 6.554 9.004 -10.958 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 -2.899 1.238 0.712 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 17.882 4.698 7.320 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 -6.612 21.635 -4.700 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 -0.562 -1.107 1.951 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 12.716 -7.145 -3.581 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 8.470 21.055 3.647 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 4.089 -4.649 1.713 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 3.754 13.159 14.435 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 9.221 -9.668 0.415 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 -0.217 -3.939 -12.638 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 -17.529 0.506 12.305 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 -3.831 16.692 -3.150 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 0.465 3.179 -6.210 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 12.790 4.483 25.168 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 2.980 -1.567 -5.632 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 -0.836 2.816 3.617 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 -6.643 -13.397 9.614 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 2.066 11.045 0.467 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 -1.198 6.845 -3.467 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 5.148 15.857 -2.694 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 -16.130 6.141 3.245 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 -7.166 -0.672 -2.910 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 -2.567 -5.082 1.413 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 -9.841 -1.293 -4.507 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 5.697 5.925 4.346 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 -1.025 25.374 10.524 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 3.263 17.619 10.709 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 -2.748 -0.630 2.511 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 3.591 -1.850 8.675 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 -16.657 -11.465 10.292 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 0.625 0.955 -0.125 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 -4.522 14.842 -30.054 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 14.104 13.301 0.101 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 0.550 2.882 1.903 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 -3.969 25.610 18.546 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 3.582 -14.254 14.901 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 -2.886 -0.279 -0.831 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 2.709 -5.209 5.702 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 -11.888 17.261 -7.874 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 -1.778 5.982 4.682 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 -1.312 10.222 1.386 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 6.686 4.806 -3.782 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 5.860 -0.401 -0.865 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 11.316 -7.103 4.817 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 4.958 -2.957 -0.733 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 -2.193 -2.324 -3.111 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 -1.027 15.853 4.631 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 1.019 -4.730 -4.643 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 -5.211 1.793 -0.562 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 9.196 1.460 11.496 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 -19.979 -1.057 9.914 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 1.239 3.445 6.708 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 7.239 12.317 20.941 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 17.267 0.621 9.829 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 6.935 -4.788 -1.435 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 9.988 -21.951 -14.046 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 8.569 7.325 -20.327 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 -4.677 -3.801 0.272 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 -1.616 -22.327 -9.968 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 12.540 9.375 -6.396 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 3.263 3.652 -2.097 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 -22.852 4.293 -11.767 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 -10.943 0.311 -2.679 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 0.420 -7.674 -0.525 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 0.060 -6.678 -17.581 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 2.346 4.852 -24.076 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 1.206 0.571 -5.645 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 -2.858 23.402 16.261 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 -3.640 -8.801 -5.398 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 0.347 0.877 4.437 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 -15.503 1.250 -0.728 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 -7.000 0.797 14.940 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 0.361 -1.031 -1.279 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 -11.416 -17.309 9.716 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 -9.047 9.922 -2.779 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 -3.402 1.939 -3.910 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 3.642 0.485 24.209 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 15.592 18.792 -12.521 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 -2.848 1.868 -9.169 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 8.280 -12.280 -9.772 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 -6.651 7.622 -9.496 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 1.707 -3.631 2.339 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 -16.675 -0.140 2.074 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 -11.780 -8.151 -2.684 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 -3.874 0.940 4.937 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 -21.646 -3.847 -0.376 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 -4.041 12.546 17.061 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 -3.406 -2.430 3.574 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 3.373 10.253 3.298 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 -11.053 20.767 3.367 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 -1.469 3.319 7.863 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 18.922 -22.339 3.177 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 -11.847 5.412 -18.153 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 -5.896 5.275 0.606 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 5.185 -11.686 -17.730 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 0.510 -14.546 -11.216 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 2.953 1.682 0.747 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 -12.131 -10.399 -5.376 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 5.092 -14.136 0.982 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 -0.547 -1.052 2.845 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 11.575 -18.732 -16.137 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 4.315 6.860 21.103 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 -1.071 -8.164 1.744 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 -12.509 -8.181 3.498 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 8.626 -8.947 10.931 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 4.641 -3.681 -5.993 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 6.186 0.827 5.977 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 2.448 1.664 -0.899 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 -0.804 2.166 -0.271 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 0.885 -2.129 -9.555 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 7.589 12.944 -1.290 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 3.240 -4.909 0.176 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 -10.972 -22.943 15.402 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 -7.693 11.919 -10.580 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 3.334 -0.043 -2.408 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 6.728 6.390 17.379 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 2.075 -4.529 -14.487 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 8.740 -1.003 0.898 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 -16.041 9.223 -26.016 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 3.405 14.762 -6.550 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 -4.905 1.184 -5.041 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 -2.099 -1.573 -11.322 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 -15.553 -0.116 3.877 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 -1.420 3.581 5.939 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 -6.192 -3.466 21.561 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 2.078 1.284 5.803 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 -0.770 -4.290 -3.081 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 7.717 6.894 15.392 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 4.474 -10.919 -20.254 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 1.236 3.246 0.931 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 -0.072 -13.372 33.975 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 -29.816 -5.091 -21.788 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 -4.897 -1.870 8.447 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 -5.991 -1.868 3.698 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 -2.907 -7.246 -3.772 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 3.024 0.409 4.639 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 4.138 -11.664 12.625 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 6.733 -10.623 8.909 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 2.883 -2.554 5.944 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 -3.052 -17.274 4.941 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 -0.223 -7.558 5.762 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 2.130 -1.477 1.969 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 -5.895 -10.806 1.888 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 15.306 -3.897 -7.759 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 6.462 -1.701 2.477 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 -5.020 9.875 18.541 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 -7.146 -8.386 4.738 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 -4.788 4.885 1.632 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 -1.313 -3.674 -4.745 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 1.262 -1.229 0.487 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 -4.446 3.666 -2.460 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 -8.374 10.178 -0.166 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 -4.874 12.659 -7.612 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 3.168 7.607 5.378 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 20.244 11.226 -15.568 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 9.196 14.161 2.858 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 0.632 10.279 -2.881 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 -1.101 11.434 -20.216 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 11.501 14.387 -2.069 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 4.194 4.621 4.985 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 6.475 26.825 3.211 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 -3.074 -10.216 -7.731 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 3.465 -8.525 -6.131 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 -5.986 3.491 -39.513 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 8.115 37.267 22.551 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 -1.173 5.061 0.432 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 -0.794 -5.880 2.644 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 -16.724 -4.797 -16.269 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 4.205 0.922 2.270 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 -5.835 -2.430 11.714 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 5.882 1.274 -4.037 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 2.087 -7.300 -5.448 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 -12.248 -26.088 -0.974 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 19.182 6.066 -6.547 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 1.043 6.722 7.553 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 5.296 2.821 -2.289 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 -14.066 15.977 10.245 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 0.272 0.223 -2.485 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 -4.145 4.887 5.649 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 -6.873 5.945 -11.437 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 3.447 1.526 -0.376 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 5.440 -6.536 10.247 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 -10.622 -2.049 -4.131 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 5.055 -3.023 -7.479 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 21.669 -16.259 -9.019 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 4.970 6.629 -5.161 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 -2.010 -2.499 2.809 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 2.960 -12.207 11.447 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 5.616 -25.954 10.565 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 -6.594 4.718 3.839 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 21.988 4.800 -11.840 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 1.581 -6.469 -14.161 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 5.868 1.089 -2.085 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 19.736 8.155 -11.114 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 -3.731 -4.181 3.790 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 3.120 -2.309 5.189 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 -33.475 20.681 -18.480 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 10.318 16.659 9.893 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 -3.080 5.555 -1.344 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 0.339 19.208 14.992 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 -10.110 13.519 -14.395 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 5.211 -3.345 3.854 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 -13.836 0.431 0.825 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 16.749 -21.006 -10.750 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 7.577 4.427 -0.695 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 7.889 -8.845 -18.108 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 3.450 -10.989 -2.888 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 -5.451 -2.165 6.156 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 12.959 22.749 -12.616 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 2.955 2.944 -6.656 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 3.067 -4.336 -0.538 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 -2.289 -10.345 -21.920 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 11.173 0.761 -6.476 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 -0.656 3.984 -2.651 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 -9.872 5.784 4.172 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 -5.208 5.656 4.478 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 -5.640 -7.028 1.017 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 11.202 0.733 6.891 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 6.179 0.196 0.306 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 3.451 0.247 3.730 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 3.489 6.369 -16.365 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 -0.961 -15.530 10.346 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 -0.040 0.963 -0.667 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 4.184 4.653 -1.277 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 -2.383 1.099 0.443 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 3.664 0.218 0.742 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 -2.492 -0.936 21.545 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 -3.848 0.396 18.334 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 -4.414 -2.310 -1.632 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 -4.015 6.478 9.486 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 -9.081 6.442 13.532 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 -3.191 4.348 -5.602 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 -10.626 2.076 -8.766 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 1.135 -4.616 -22.842 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 -1.190 1.691 2.034 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 -8.312 -14.787 -12.256 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 5.119 -5.005 12.896 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 0.538 -9.902 -6.246 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 -5.074 -42.682 -3.793 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 -6.572 0.777 15.904 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 -6.002 -4.057 -4.170 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 10.624 3.955 5.412 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 1.814 11.281 11.983 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 0.128 -0.649 2.503 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 1.092 -4.736 -2.876 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 -2.481 12.347 16.693 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 -6.770 -3.273 -2.350 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 6.928 -1.275 -0.571 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 -1.082 8.909 -14.934 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 1.799 0.991 2.861 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 -4.118 8.519 11.369 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 4.090 -18.663 9.657 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 -7.678 5.120 -2.598 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 -10.923 9.044 -3.958 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 -14.343 -9.262 -5.234 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 -9.642 2.907 -3.956 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 27.525 -0.072 31.363 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 5.871 2.237 11.146 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 1.528 2.962 0.058 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 3.977 34.697 8.032 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 14.902 15.608 -3.938 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 2.335 -0.708 -2.010 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 -1.836 13.236 4.634 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 -7.743 -11.593 2.250 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 5.377 -6.119 0.012 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 0.991 0.939 18.879 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 -1.724 -17.765 -9.777 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 4.693 3.055 -8.311 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 -2.691 22.594 -12.185 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 15.039 5.109 -1.492 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 -4.514 0.764 4.988 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 4.786 9.128 8.489 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 -19.800 -3.967 5.820 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 -5.188 -2.711 -4.120 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 -6.210 11.715 -8.159 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 15.212 11.844 -22.651 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 2.008 -1.106 -1.578 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 -6.489 -8.250 -5.615 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 -9.984 -9.879 17.830 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 4.822 6.011 1.468 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 9.170 -4.823 -0.430 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 -2.517 25.697 7.230 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 1.129 -2.841 1.632 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 9.890 0.199 -3.197 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 -4.913 -4.527 5.059 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 -0.869 -2.482 -5.888 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 -15.215 -12.839 14.276 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 0.313 3.922 -21.070 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 -2.771 7.412 3.295 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 3.173 12.441 -15.479 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 1.493 0.553 -17.593 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 -2.547 -2.099 4.121 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 18.281 -3.988 6.787 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 -8.038 -1.906 13.410 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 -7.903 -0.661 7.556 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 -3.752 13.994 -7.610 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 6.640 10.697 -17.972 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 4.460 -1.898 4.646 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 -12.656 -2.559 -17.432 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 -20.138 1.895 13.192 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 -2.366 -8.741 1.106 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 18.987 -5.158 4.533 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 3.330 -27.717 -12.476 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 2.873 4.742 -0.722 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 8.050 -11.096 -15.039 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 -3.628 15.997 9.954 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 -4.608 -2.021 -3.657 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 -3.835 -0.484 -4.823 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 -3.251 -1.687 3.267 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 1.267 -2.042 6.523 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 -1.023 9.657 -3.084 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 -5.115 11.518 3.432 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 7.706 7.115 1.527 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 13.805 -0.829 -6.097 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 -7.848 -5.576 12.798 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 3.981 -3.486 8.342 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 12.721 -33.520 12.906 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 -0.988 -2.355 -16.884 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 -3.010 4.926 -2.564 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 -11.912 -4.020 -0.361 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 -4.317 4.718 5.774 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 5.222 -0.235 -3.641 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 31.280 0.223 -2.454 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 -5.787 11.870 11.493 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 -6.548 -4.646 1.616 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 -1.818 -16.443 -8.032 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 -1.824 -10.265 19.852 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 -2.755 14.055 -3.866 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 -12.959 -4.669 -18.008 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 6.885 5.757 -3.427 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 5.038 0.635 -2.610 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 0.949 -12.484 0.246 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 -0.868 -2.960 -12.419 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 3.995 -6.587 -1.287 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 28.193 -7.414 12.308 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 17.889 -7.061 18.464 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 -7.787 4.726 -4.457 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 5.439 11.223 3.699 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 0.906 9.311 -4.397 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 -3.867 5.355 -1.752 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 -8.251 -12.053 -4.222 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 -15.863 -0.554 -11.552 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 -0.048 2.250 4.424 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 -3.140 -4.283 -20.730 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 -15.839 -7.279 17.792 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 -0.658 -0.681 1.270 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 -12.059 15.242 3.164 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 8.632 9.376 -7.123 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 -4.093 -4.609 5.847 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 -13.368 2.411 0.029 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 8.661 16.228 3.770 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 -2.640 -6.003 -5.680 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 5.463 4.134 -8.822 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 0.099 10.526 42.167 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 1.236 1.896 -0.448 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 4.046 4.293 1.518 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 -1.276 -0.370 -4.507 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 -0.330 3.838 2.856 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 8.196 -20.423 -3.052 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 7.075 -6.894 17.975 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 0.343 -0.609 -4.556 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 5.539 11.910 -2.799 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 -7.210 -10.401 6.017 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 0.570 0.786 -0.646 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 -4.782 -3.173 -7.610 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 -1.284 9.952 8.985 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 -1.110 4.831 -4.320 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 4.279 17.900 -6.712 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 -20.854 0.090 10.808 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 -5.751 -0.433 -5.907 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 15.488 -3.117 -6.052 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 13.073 20.416 8.172 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -8.386 -5.632 -0.791 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 24.476 -5.020 3.991 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 6.268 1.978 1.808 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 2.001 6.592 3.916 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 -5.416 -0.238 -12.356 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 -3.570 15.524 -3.933 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 -0.957 0.697 5.954 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 -8.645 27.455 1.192 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 6.350 -14.594 8.538 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 1.190 -5.799 5.331 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 -14.277 3.916 0.010 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 -13.655 -10.779 -8.943 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 -0.959 0.323 3.852 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 -26.271 -17.207 18.614 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 26.152 -25.137 -11.050 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 -7.503 -5.498 0.908 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 -8.927 -2.309 -5.259 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 -0.578 -4.504 0.946 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 7.590 -3.649 0.496 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 -8.220 -9.228 -9.520 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 4.016 -7.259 0.524 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 2.084 0.907 -2.797 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 -6.454 36.203 2.878 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 10.857 24.008 -6.472 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 -2.242 0.522 0.963 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 -11.307 -11.919 -1.895 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 -2.052 -8.796 13.655 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 -5.769 6.502 -0.741 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 -5.615 7.687 -33.168 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 -14.438 -13.047 -12.407 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 5.762 -0.031 1.647 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 0.175 -18.843 -6.981 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 18.158 13.758 11.139 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 -1.830 -1.095 -1.741 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 -6.111 -16.554 -4.960 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 2.044 20.074 4.519 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 0.236 -7.510 2.985 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 11.598 -2.664 10.739 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 11.407 -1.584 9.396 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 -1.483 2.506 3.895 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 -11.132 -2.038 8.799 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 -3.282 2.627 17.949 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 -4.654 3.386 3.635 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 -11.005 9.270 14.255 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 -2.851 14.924 4.974 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 1.799 2.730 -1.011 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 20.023 10.211 0.679 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 -5.002 -9.086 -0.424 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 -0.335 0.908 -2.968 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 6.401 1.145 -0.815 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 7.355 8.162 -7.066 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 1.205 3.748 -1.423 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 -0.046 -1.021 7.634 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 1.223 4.204 -1.737 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 -2.183 4.656 -4.983 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 -17.532 -0.395 -3.682 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 -13.207 1.463 -3.184 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 5.056 -2.805 -4.881 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 10.464 -0.616 -10.871 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 -2.742 3.831 -8.876 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 -1.685 2.328 1.875 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 -19.962 -6.701 -2.202 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 -29.051 -10.630 -9.660 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 0.861 -1.798 4.577 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 -11.688 -18.760 4.679 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 -4.328 -7.809 24.171 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 0.104 5.517 1.612 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 -1.457 0.501 -12.668 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 1.135 6.344 6.947 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 -1.014 1.179 -1.383 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 -5.731 6.737 -10.792 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 13.152 1.100 -0.896 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 1.357 0.201 -5.069 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 7.552 -4.989 10.461 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 -5.580 6.217 -8.517 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 -0.885 -0.949 2.582 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 9.304 -20.551 10.560 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 -1.658 -4.181 -23.696 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 4.146 3.748 2.487 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 -0.255 16.702 4.380 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 14.476 -11.459 -6.096 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 -10.600 2.088 -8.467 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 -12.448 13.448 -2.509 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 -24.742 11.872 -0.036 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 -1.262 4.093 -3.486 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 15.823 -15.800 11.700 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 -13.993 11.930 -2.660 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 0.523 4.442 4.989 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 9.228 -10.378 -9.941 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 9.588 9.121 7.695 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 -5.536 1.451 -3.614 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 -19.524 7.368 -21.013 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 3.126 -2.641 8.291 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 -0.407 -3.918 3.501 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 2.401 -19.283 3.144 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 -12.348 19.323 10.176 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 -0.412 0.186 -2.211 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 3.730 2.561 9.852 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 6.739 -5.929 -7.978 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 -3.483 5.633 -5.166 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 -0.090 23.689 -16.103 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 -23.945 16.952 -1.967 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 2.392 0.834 5.470 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 -13.953 3.694 6.186 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 26.552 11.856 -3.065 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 -3.669 3.576 -4.773 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 19.727 10.742 -25.174 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 3.992 4.944 -17.734 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 -1.063 -1.689 1.994 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 1.619 -23.498 11.206 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 7.211 0.322 -4.716 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 4.605 -9.286 2.865 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 16.089 6.343 -12.118 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 7.685 -13.526 7.569 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 -2.243 -2.503 -0.127 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 2.777 2.204 -3.967 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 -13.217 -4.412 -12.418 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 -0.001 0.279 -3.051 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 9.098 -5.795 -18.880 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 -8.282 -19.368 -4.900 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 0.116 0.893 -0.686 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 2.698 -3.933 2.591 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 -4.350 -0.617 -0.804 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 -3.750 1.733 -5.422 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 2.428 6.771 -3.250 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 -1.654 -2.268 -5.334 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 0.227 1.730 3.705 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 -10.859 -6.082 29.132 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 4.978 14.714 30.160 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 2.012 8.575 3.593 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 16.345 15.075 32.241 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 23.616 17.851 -3.494 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 3.698 -4.580 4.264 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 -5.625 -4.532 5.259 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 16.455 -6.137 13.197 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 0.625 2.729 10.724 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 25.208 -4.724 -18.235 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 7.791 -3.576 27.948 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 2.460 0.118 0.568 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 2.855 6.959 18.322 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 -0.693 -17.234 5.528 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 3.687 -0.812 -0.489 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 4.620 -8.321 13.646 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 10.722 -10.529 13.419 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 -2.296 -7.509 1.216 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 -2.600 -8.397 2.039 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 0.431 -7.412 -6.462 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 -3.145 -3.198 2.043 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 -29.915 8.100 -37.711 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 -20.462 2.081 11.204 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 4.195 -0.867 1.191 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 8.601 -14.810 10.601 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 7.493 -4.114 13.097 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 0.504 -2.013 3.024 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 -12.909 5.343 2.615 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 1.576 6.245 -3.538 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 -6.461 1.303 -2.043 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 13.423 10.363 3.680 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 -26.917 3.048 -11.796 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 4.134 10.400 4.498 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 -0.902 10.909 6.010 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 1.907 0.409 -7.612 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 -0.027 2.048 1.158 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 4.971 4.187 11.252 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 2.232 2.582 8.445 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 -2.064 -6.649 -3.142 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 -1.964 -27.820 -1.804 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 -12.902 4.689 1.540 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 -3.687 2.099 -2.809 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 3.100 11.664 -13.194 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 -4.366 -4.223 -1.182 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 -2.143 -2.713 1.568 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 26.796 1.376 -8.979 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 -1.347 -2.550 -0.201 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 2.797 5.699 -4.574 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 -3.577 7.343 -15.619 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 8.588 1.547 7.716 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 -1.198 -2.897 6.360 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 -5.760 -1.084 -9.164 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 -20.216 -18.934 -0.557 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 -1.201 -6.032 5.978 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 10.062 -3.873 8.121 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 -20.873 5.959 0.552 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 -5.223 -2.478 -1.265 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 0.508 16.864 -31.590 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 3.680 -31.154 9.886 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 -6.028 1.706 -5.996 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 -18.969 10.371 1.519 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 9.684 9.547 -32.217 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 -1.178 3.884 3.801 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 -6.038 7.960 0.810 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 -0.045 0.433 6.375 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 1.772 -5.873 -0.047 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 7.963 -11.639 -3.603 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 -3.870 -1.762 3.166 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 6.798 -2.877 -0.959 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 -22.877 -7.353 17.661 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 1.790 -11.317 13.500 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 -6.549 1.250 0.652 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 4.346 6.103 -9.115 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 -6.110 -12.027 -6.974 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 7.654 -5.135 1.049 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 -26.470 -3.862 7.942 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 -4.681 8.183 14.293 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 0.551 -5.695 7.324 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 1.877 -8.001 7.929 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 -12.009 3.660 -2.884 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 0.221 4.945 -1.838 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 -1.358 -1.985 -4.396 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 7.781 5.446 -5.751 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 0.396 -3.985 -2.711 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 3.742 -7.730 -10.143 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 -4.694 -3.495 10.142 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 1.589 7.137 2.075 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 1.281 18.346 32.946 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 3.710 10.497 10.881 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 8.658 2.624 1.651 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 1.180 7.650 3.100 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 14.527 2.715 -3.805 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 0.419 -7.981 3.999 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 5.276 1.673 4.273 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 -17.744 27.491 22.048 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 1.143 6.440 0.530 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 -0.657 3.852 2.113 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 -2.425 -10.638 16.994 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 2.384 -0.494 6.687 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 1.814 -1.164 6.280 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 10.824 9.442 9.201 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 7.561 3.157 -0.437 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 27.832 12.132 4.832 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 -15.526 4.754 4.708 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 3.909 0.322 1.167 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 -2.461 3.436 2.598 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 4.336 9.124 -1.699 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 -0.463 -4.848 1.000 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 4.531 -6.659 3.372 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 -8.873 -18.056 -11.570 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 -4.565 1.007 9.232 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 7.264 17.119 17.513 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 -3.885 -0.820 7.341 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 -1.797 0.280 0.050 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 -11.031 6.922 3.570 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 -15.554 5.511 1.045 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 -2.744 -1.502 -3.754 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 2.206 8.237 -8.351 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 -2.583 -3.837 -2.546 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 -3.480 1.341 3.637 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 -8.945 -4.489 12.538 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 -11.319 6.190 -1.640 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 -6.499 -2.105 -3.446 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 -4.365 -6.803 -1.593 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 -3.881 1.468 -0.274 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 0.906 -2.311 0.796 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 -12.820 -6.126 -1.462 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 13.055 17.546 -1.846 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 -4.486 0.116 0.061 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 -18.572 1.829 -2.346 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 -6.783 -13.043 -6.864 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 -3.530 -1.453 -0.469 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 8.285 2.797 -10.578 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 7.819 2.772 -10.523 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 -6.196 8.492 -1.224 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 -11.770 19.123 -6.879 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 -16.960 -7.311 24.682 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 3.029 -2.572 0.779 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 -0.935 3.341 -4.515 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 1.015 -8.508 0.888 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 -1.304 3.590 -2.189 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 1.593 0.519 0.451 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 -3.700 14.066 14.511 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 0.726 11.030 -0.587 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 -10.256 13.822 -1.263 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 3.448 12.518 5.598 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 3.876 5.530 1.382 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 2.840 5.469 3.364 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 -0.063 5.395 2.296 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 4.139 -2.022 1.868 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 -0.502 0.061 3.617 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 10.439 -5.107 -1.227 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 -2.161 -0.668 -1.269 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 9.595 -30.839 -4.988 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 -15.409 1.264 4.348 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 -2.389 3.910 1.537 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 -3.841 6.028 4.395 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 -2.399 2.192 1.753 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 0.329 -2.349 0.416 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 -7.125 3.340 -4.231 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 -10.301 -22.464 7.001 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 6.150 -0.422 -0.502 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 33.973 13.617 8.401 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 -3.551 -2.878 15.085 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 -2.954 6.038 -5.203 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 4.328 -0.590 -20.336 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 -23.262 -17.782 -5.241 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 -7.437 0.441 -0.203 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 9.674 -4.706 1.745 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 9.475 -8.449 6.292 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 5.141 5.476 -0.313 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 38.745 -10.184 11.162 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 4.200 7.146 -1.391 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 2.046 -1.470 -2.076 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 5.720 6.509 -13.446 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 13.448 -3.210 5.585 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 -0.323 -2.577 -3.424 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 -6.507 -23.543 -5.477 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 -17.517 8.092 5.990 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 1.184 -7.455 8.450 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 -2.315 -31.942 -5.171 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 17.368 8.101 -18.319 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 -3.728 2.497 0.781 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 5.782 9.599 -0.184 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 -14.845 1.274 -6.486 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 0.044 2.069 2.020 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 -3.059 -8.423 17.273 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 10.135 15.386 -15.544 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 -2.584 0.276 2.657 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 12.029 10.418 3.873 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 5.005 -25.741 -26.035 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 -0.868 -4.472 -2.598 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 -27.327 27.797 16.445 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 -1.796 -12.540 -19.778 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 0.850 -4.069 0.241 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 -9.458 -12.610 -3.064 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 23.466 9.667 8.338 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 3.764 -2.993 -3.895 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 14.510 -14.747 -3.981 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 -1.257 3.050 -6.371 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 4.335 -2.946 -1.697 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 11.898 -35.605 -21.166 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 -6.724 3.098 -1.844 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 -3.837 -2.600 -2.234 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 -6.202 -4.124 -0.040 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 -4.525 9.283 -9.198 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 -5.581 0.399 0.789 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 2.004 26.528 3.349 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 -16.439 -14.205 2.638 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 2.321 3.371 1.367 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 -8.964 6.222 -28.240 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 15.830 -20.987 -0.157 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 -3.918 5.952 2.231 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 -15.924 8.043 7.188 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 -15.260 8.806 8.430 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 3.099 -2.034 -0.055 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 7.948 3.627 -1.856 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 -20.172 -9.463 12.713 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 -1.016 10.525 3.734 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 3.683 14.303 -5.722 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 -12.049 11.621 3.729 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 2.138 9.283 -1.201 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 -36.412 18.466 -2.582 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 -14.566 18.200 13.319 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 -0.754 -1.508 -6.300 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 -8.470 -1.458 -5.960 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 -8.098 -0.537 -7.900 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 4.986 -3.736 1.797 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 4.566 3.583 -1.517 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 0.606 -12.780 2.121 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 0.714 0.115 -2.523 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 -13.470 -13.301 10.954 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 19.239 0.027 10.794 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 -2.465 -6.916 1.387 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 -5.677 0.230 2.750 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 11.631 -2.830 9.322 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 6.892 1.038 1.780 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 1.464 -14.817 9.471 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 -4.779 3.965 2.108 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 0.889 7.262 -5.034 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 0.323 11.491 -10.527 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 -11.673 -8.857 11.752 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 -0.602 0.940 9.495 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 -15.552 -10.889 9.088 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 -11.905 7.707 11.540 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 2.700 6.814 1.526 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 -4.218 -3.929 9.375 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 -2.234 -3.411 -9.222 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 0.609 -1.170 -4.971 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 -13.301 -7.394 12.889 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 15.536 8.847 -23.998 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 -5.183 -4.669 1.593 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 18.890 -6.480 2.602 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 -39.294 -13.723 -13.625 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 0.178 7.268 -4.936 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 2.656 11.097 -1.090 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 -10.400 7.884 -7.381 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 2.646 1.407 0.061 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 3.137 -7.635 -5.681 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 3.261 -8.749 -7.694 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 7.419 5.799 8.606 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 3.492 7.183 5.749 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 5.270 0.191 -21.408 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 1.420 -2.596 6.118 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 -1.853 -12.855 -22.503 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 5.811 -1.528 -2.593 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 0.940 2.221 5.004 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 6.590 -7.641 2.378 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 -7.849 0.722 2.527 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 4.246 2.318 -6.352 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 8.656 2.566 0.931 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 7.846 2.120 -16.320 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 -5.578 2.799 1.665 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 18.850 36.014 3.136 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 -7.342 -9.512 8.427 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 1.964 -0.233 -1.409 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 2.872 7.753 6.916 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 -9.754 -6.129 3.739 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 1.767 -2.923 -2.307 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 10.350 -4.069 11.494 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 7.248 -9.222 8.649 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 1.567 2.317 3.396 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 3.201 -0.729 6.146 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 -2.033 5.800 0.840 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 6.146 -0.985 -3.691 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 -9.536 -19.621 2.931 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 -10.121 8.056 -18.064 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 1.181 2.229 1.289 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 8.151 -12.149 -7.943 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 -13.414 -11.119 7.109 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 -4.668 -5.933 -4.595 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 -1.456 -14.268 -10.350 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 5.642 2.613 -3.683 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 -0.308 0.810 -0.982 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 1.586 -1.749 -0.040 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 0.831 -4.557 -6.476 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 5.267 1.660 7.026 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 17.552 -1.140 14.958 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 4.394 4.946 6.832 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 2.446 -8.156 -2.841 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 10.295 -8.306 -5.235 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 -3.272 -12.453 0.463 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 -0.505 -1.624 7.002 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 -0.993 9.950 2.252 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 -4.294 -0.448 7.568 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 0.798 1.470 4.589 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 -19.825 3.212 3.721 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 6.636 17.635 22.035 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 3.079 -2.654 5.978 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 -15.429 6.088 -5.822 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 1.011 -21.566 -24.001 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 -1.359 -2.318 -4.275 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 -19.129 18.937 4.626 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 0.606 -0.520 -9.886 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 -0.907 -6.228 -2.599 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 -1.004 10.592 6.020 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 -13.164 3.098 -22.483 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 0.307 3.000 4.325 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 -9.688 -10.939 7.121 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 4.792 -2.066 -0.939 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 -1.732 -8.373 -5.967 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 8.726 5.726 -5.579 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 3.876 -23.404 -2.504 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 -4.116 -2.449 -4.566 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 9.465 21.009 0.860 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 11.953 -18.190 6.164 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 0.656 4.731 0.750 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 -7.288 -1.596 -1.826 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 10.733 10.719 9.113 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 -0.992 -7.720 5.544 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 14.939 8.666 1.361 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 5.813 -1.320 -6.745 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 -3.427 -3.320 -0.484 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 -9.703 5.614 3.390 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 14.535 -10.630 -5.095 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 1.844 2.469 4.943 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 -18.458 -0.550 -1.497 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 -7.259 12.139 11.805 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 -2.314 1.060 -9.452 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 5.872 -5.452 -8.071 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 -2.020 0.746 -15.642 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 -5.106 4.427 -3.017 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 -8.271 3.008 3.779 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 21.139 12.291 -5.389 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 -7.723 3.178 6.723 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 -16.869 2.935 -11.329 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 -0.254 5.510 -1.054 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 -0.275 -3.840 -0.618 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 -8.923 1.614 -16.628 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 11.521 -14.130 5.050 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 0.851 -1.385 7.672 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 8.312 -19.816 -7.644 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 20.506 -3.815 16.752 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 -5.959 0.452 -2.380 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 9.783 13.515 -8.043 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 0.672 10.387 -13.819 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 2.469 1.236 -2.543 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 -35.495 3.977 13.600 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 -21.923 2.727 7.839 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 -7.352 6.932 -5.607 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 -15.828 8.591 -7.734 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 26.366 -3.644 -17.031 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 -3.195 -4.076 2.234 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 -1.709 -25.011 -3.251 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 -18.086 -1.704 17.697 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 2.089 -0.548 0.499 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 -17.057 9.223 -27.439 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 -2.502 25.100 5.570 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 1.876 -0.138 0.994 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 6.132 -9.102 -0.291 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 1.846 10.368 26.101 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 -3.015 -4.636 5.974 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 -2.749 -0.733 8.171 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 -2.313 -8.464 4.465 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 8.745 2.708 4.118 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 -0.025 11.198 -2.954 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 0.943 6.133 -0.033 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 -2.440 7.410 3.876 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 -8.628 23.999 -2.608 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 18.799 10.759 15.135 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 -3.206 0.355 -0.535 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 18.668 -1.980 11.064 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 -5.262 13.364 -18.247 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 -2.871 -1.218 -3.899 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 -5.084 -2.768 -4.663 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 -8.702 -7.575 0.331 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 -0.804 2.964 -0.107 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 -24.048 5.848 -9.508 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 10.722 -4.138 -25.192 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 -0.922 0.095 0.411 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 -9.328 5.563 -19.951 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 6.519 -4.804 -1.753 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 7.076 -2.637 -7.331 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 -18.815 30.048 1.532 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 2.045 7.532 0.041 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 12.289 -0.160 1.147 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 19.193 2.093 -0.461 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 32.375 2.428 -8.579 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 3.098 -4.350 5.526 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 -3.317 23.393 6.570 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 4.787 35.365 -2.345 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 -3.146 -0.171 -7.443 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 8.760 2.393 -10.209 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 -11.757 4.962 -10.168 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 4.117 -3.300 5.638 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 -0.775 -6.382 -11.108 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 12.179 20.330 6.214 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 4.613 -2.687 7.471 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 6.166 3.120 0.662 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 3.741 -7.790 13.341 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 1.021 -2.355 -1.207 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 14.312 1.283 -9.134 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 16.602 27.182 -16.086 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 -0.986 -5.677 -0.880 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 9.061 -16.390 12.758 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 -7.659 -15.145 -28.923 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 -4.888 1.944 1.822 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 -13.075 2.742 -25.428 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 -3.808 -12.263 10.325 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 2.686 4.873 -0.378 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 -0.686 15.013 -0.711 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 12.843 -24.963 7.021 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 -3.404 0.681 -5.665 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 0.382 -2.719 -8.207 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 -5.997 0.814 -7.837 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 0.886 3.761 -4.174 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 35.963 15.948 19.235 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 8.536 -37.701 -16.629 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 3.127 -6.706 -2.621 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 8.298 -17.347 -7.126 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 17.929 -12.996 -5.723 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 -3.534 1.693 -5.433 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 3.717 -8.682 -17.522 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 -15.721 -6.481 1.236 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 0.848 -0.860 -1.814 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 9.729 15.535 -28.157 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 5.598 -5.969 3.262 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 4.328 -1.866 0.827 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 17.897 -6.575 18.508 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 8.469 13.622 -11.488 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 -3.088 8.120 3.545 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 -0.016 22.332 11.712 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 -6.538 14.435 2.435 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 -1.075 -4.149 7.645 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 -10.823 -2.856 7.440 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 38.054 13.098 9.475 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 -3.200 -1.702 6.718 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 6.140 -1.440 -18.090 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 4.624 -11.701 11.688 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 -2.718 -2.179 4.010 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 -1.241 8.370 -2.206 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 -6.600 -22.980 15.016 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 -2.211 -3.846 -1.509 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 -1.580 -2.787 0.265 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 -3.650 -3.481 -5.454 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 -5.598 0.007 8.273 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 -20.847 16.869 2.316 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 -7.969 14.863 -8.844 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 -5.264 2.594 -3.512 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 24.394 15.488 -6.870 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 6.708 -10.784 -18.581 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 0.888 -0.380 -1.161 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 11.870 6.456 4.693 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 -2.693 2.037 -17.765 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 0.831 2.944 -0.779 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 -7.424 24.605 -27.743 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 -26.116 6.456 26.996 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 0.336 4.174 2.212 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 11.636 -6.824 -2.492 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 -21.857 19.568 11.713 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 -1.459 -2.467 0.998 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 -17.636 1.876 13.669 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 8.762 -7.974 11.278 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 -0.338 -2.146 -1.566 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 0.702 -9.533 3.012 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 -7.182 -18.779 8.330 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 -0.882 4.198 -4.103 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 7.390 -0.949 -3.843 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 -22.792 -1.365 -12.462 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 -0.293 -4.930 4.179 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 4.839 15.454 -1.708 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 -10.839 -9.685 18.779 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 -3.989 4.458 3.529 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 16.956 -4.420 -11.192 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 -0.656 -25.166 10.469 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 -0.778 -1.452 -0.896 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 -0.075 4.804 8.238 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 -5.046 -6.130 -8.724 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 1.027 2.135 -0.267 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 -13.450 -7.806 -9.573 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 9.678 9.865 7.460 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 -2.332 8.508 6.420 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 11.078 9.738 10.913 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 3.680 15.195 11.050 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 -1.671 3.235 -3.259 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 3.326 9.613 -3.340 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 10.618 24.839 6.004 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 -6.075 5.401 -4.039 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 -4.666 6.241 -7.653 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 -2.952 5.440 -1.903 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 5.316 -0.012 3.837 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 0.957 -5.403 22.001 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 -9.680 11.623 6.226 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 0.570 1.049 0.698 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 11.064 4.906 -8.148 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 -12.124 -1.750 12.427 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 -0.273 4.944 3.474 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 -0.395 -3.549 0.556 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 8.272 -2.686 3.319 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 2.326 -2.176 1.179 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 19.748 10.075 4.346 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 -9.220 6.851 12.527 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 0.008 5.509 -1.488 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 1.146 5.714 -0.705 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 9.584 1.135 -23.237 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 -4.923 1.052 -1.650 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 16.753 7.864 2.085 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 32.672 6.026 -15.579 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 -4.036 2.898 2.780 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 14.564 -0.973 23.693 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 -5.787 -7.234 -13.933 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 -0.929 0.278 5.790 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 -3.090 -3.815 4.767 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 5.849 1.017 -7.798 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 4.406 4.231 4.590 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 0.146 15.885 -41.202 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 -6.917 -4.102 16.258 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 -0.657 -2.820 -1.145 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 -1.327 -0.474 -1.748 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 -2.843 -14.129 -30.113 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 -5.728 2.617 -6.770 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 -15.839 2.178 2.380 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 -18.066 -16.635 -1.253 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 -4.325 -1.484 -2.085 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 12.476 -9.223 -17.615 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 32.495 22.280 15.333 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 2.051 1.059 -5.189 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 -13.529 -14.906 13.587 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 -1.801 2.439 -8.875 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 0.561 -2.606 -2.184 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 6.724 1.900 -4.734 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 -8.917 -3.597 -3.473 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 2.322 3.954 -0.370 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 20.499 -4.838 1.874 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 -10.380 7.224 17.112 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 0.424 -7.403 4.661 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 13.020 -4.016 -12.156 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 -19.176 -5.069 -3.756 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 -4.372 5.688 4.215 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 4.594 -12.157 13.425 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 3.381 19.149 6.722 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 -4.383 5.752 1.135 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 14.972 16.690 -8.211 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 -4.095 5.723 -0.276 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 -5.478 -1.710 2.081 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 -6.947 -7.390 6.112 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 -8.803 -2.557 -2.872 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 -2.847 3.308 -4.411 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 -17.322 -6.127 13.911 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 20.620 -1.044 3.670 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 -5.062 -0.436 5.151 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 -24.043 16.581 8.926 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 1.796 10.449 1.587 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 -3.648 8.167 -2.887 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 -18.702 15.029 -8.057 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 -4.290 6.487 -13.060 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 -5.098 -7.395 0.351 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 -3.874 -4.131 -4.399 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 3.334 0.861 8.937 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 0.709 3.271 9.270 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 -23.853 28.240 -14.667 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 -8.864 -2.831 3.097 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 9.166 -5.479 -2.360 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 22.009 -20.321 -6.493 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 -3.004 -0.677 -2.547 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 -1.336 4.742 -5.269 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 26.080 14.752 1.603 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 5.377 -13.749 12.756 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 6.725 -5.862 -4.282 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 26.907 -2.298 10.997 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 -3.941 -12.420 -24.040 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 4.191 -4.278 0.707 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 -9.109 -10.977 8.388 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 -3.979 0.136 -3.801 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 -1.022 -2.442 3.139 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 -10.651 -9.587 -0.210 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 0.143 2.231 18.687 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 -7.676 4.920 4.695 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 15.763 -1.527 -3.912 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 8.923 -10.133 5.181 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 -0.804 2.550 -3.011 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 33.192 0.718 -18.875 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 -12.090 -1.819 -6.823 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 -1.016 -8.478 8.037 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 -12.950 -0.016 -2.559 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 -10.286 5.242 -4.491 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 3.308 11.694 0.682 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 9.779 4.108 -1.930 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 8.266 14.814 10.785 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 -3.154 4.492 -3.346 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 -4.823 -6.888 2.964 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 -2.470 8.784 -6.282 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 3.463 -3.802 3.484 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 -0.524 7.350 0.138 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 -0.451 13.763 -0.898 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 1.363 -6.576 -4.495 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 20.086 -8.532 -13.577 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 4.445 -22.443 17.333 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 -2.368 0.769 2.356 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 -5.663 5.051 -1.037 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 1.811 -1.505 7.219 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 -4.059 1.978 3.691 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 3.452 11.522 7.583 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 -8.964 -16.743 -12.927 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 -4.099 -4.677 3.073 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 -11.931 -21.296 8.353 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 -1.590 11.621 1.954 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 -6.106 -1.629 -1.274 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 -3.797 -9.710 19.985 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 -18.137 9.509 0.497 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 -0.485 0.509 -5.071 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 10.936 3.326 -4.620 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 -6.699 9.042 -7.378 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 -4.299 -2.761 0.389 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 12.513 -10.837 -15.894 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 4.810 -2.285 20.866 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 2.473 -1.797 -6.275 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 -5.211 1.375 31.002 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 -18.081 -16.331 3.939 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 -2.692 -4.095 -0.697 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 5.590 18.039 25.447 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 -4.629 14.357 4.427 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 -3.124 -0.177 -0.200 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 0.629 -1.520 4.700 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 1.570 -2.335 -29.497 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 -4.820 -0.090 2.419 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 -2.985 -10.094 -4.857 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 -7.671 22.493 3.626 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 5.861 4.723 -0.334 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 6.854 27.541 -2.327 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 -7.752 -0.492 0.043 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 -2.995 -2.572 0.404 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 -10.592 11.672 8.083 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 -20.906 -21.011 5.924 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 -1.286 2.434 0.840 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 -20.660 3.276 -7.635 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 16.407 -38.790 -5.128 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 6.396 0.813 4.421 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 7.664 -4.482 1.098 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 1.794 21.857 17.513 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 -0.528 -0.602 2.858 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 -11.442 -27.554 2.914 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 -5.313 21.025 -6.249 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 2.257 6.496 -1.337 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 28.916 2.687 4.277 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 -1.445 17.183 -31.626 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 6.632 8.243 -1.165 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 -6.765 12.567 -1.927 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 9.495 17.584 0.377 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 -3.848 5.708 -4.149 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 -15.280 -8.769 5.735 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 3.414 18.511 -11.036 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 -0.876 -1.128 0.709 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 -6.141 -0.500 -3.614 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 -2.164 -0.367 -0.603 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 0.085 0.319 -1.298 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 -4.103 1.863 -2.544 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 -18.180 7.312 -16.678 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 2.167 -3.571 2.192 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 6.682 3.721 15.265 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 8.219 -16.786 3.702 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 2.232 -0.406 1.547 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 -4.499 -19.523 28.801 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 -0.554 -12.035 18.782 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 -1.324 4.364 2.356 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 -0.254 1.010 -8.715 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 -8.730 -2.293 -6.936 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 2.777 -10.793 -5.608 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 6.476 -2.539 -11.507 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 0.263 -5.066 -15.214 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 -2.697 -2.891 -10.109 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 2.677 1.152 -12.779 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 17.485 9.359 11.625 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 0.007 2.767 -2.672 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 1.558 0.896 -4.503 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 -0.290 -2.903 -7.525 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 1.439 -5.478 -1.525 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 -5.570 -9.874 -12.871 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 2.358 -1.465 5.581 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 0.519 3.759 -3.033 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 -7.259 1.322 8.630 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 -7.836 -14.790 -20.984 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 1.206 -0.420 1.291 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 1.137 10.772 -8.181 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 16.537 -2.760 11.351 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 -1.822 -6.371 0.292 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 -0.698 -9.639 4.269 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 1.693 -6.484 -0.784 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 -0.469 2.698 -0.270 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 -23.276 23.552 -13.154 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 -20.753 5.795 1.506 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 -5.598 0.125 -0.535 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 -11.077 6.683 0.412 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 -7.989 10.363 -1.615 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 4.109 -3.511 -5.215 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 -14.729 -14.479 -6.987 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 2.498 11.728 -7.847 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 0.797 1.116 4.579 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 -15.656 1.132 -13.879 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 -17.650 3.380 -9.581 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 -0.342 -1.904 -6.474 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 -6.166 16.416 -2.010 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 -14.884 -0.455 11.895 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 1.954 1.500 -1.039 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 -4.357 -8.513 15.136 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 2.723 16.354 -21.296 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 3.096 2.155 10.382 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 3.506 4.621 6.313 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 7.089 -8.390 -5.329 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 -6.606 3.138 -3.154 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 -4.716 8.480 -12.095 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 -16.198 6.290 0.432 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 3.130 0.728 -1.099 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 5.375 10.449 -0.971 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 18.645 -8.679 -2.246 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 4.644 0.122 4.804 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 16.091 27.890 7.075 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 0.967 0.474 -12.567 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 -0.245 1.126 -3.920 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 -13.099 8.148 -10.683 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 -3.707 -15.523 18.808 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 -4.465 -0.262 2.848 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 -8.069 1.127 10.993 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 -6.624 7.681 6.098 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 -4.607 3.912 2.544 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 -17.141 10.810 6.801 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 11.519 19.089 12.055 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 3.490 4.202 -3.352 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 8.130 9.557 -1.118 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 9.779 17.623 -4.958 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 1.995 -2.648 0.803 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 21.688 6.610 26.687 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 18.261 -25.959 -9.086 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 -3.010 -0.804 -0.225 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 2.048 -0.921 -3.244 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 -6.962 -0.303 -3.796 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 2.106 3.623 1.824 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 1.836 12.614 3.546 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 -12.346 -15.296 -2.653 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 -3.159 3.409 -5.919 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 -3.295 4.031 -13.885 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 -3.233 25.047 -0.541 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 -3.579 7.906 -0.182 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 -2.350 24.664 4.257 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 -13.061 8.255 -12.962 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 0.878 -0.434 2.361 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 2.274 -0.083 2.442 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 -14.221 0.246 -2.471 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 -5.239 0.535 2.945 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 -15.162 20.073 -10.416 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 11.381 4.730 -11.054 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 1.159 6.367 -5.536 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 -0.611 2.800 -3.180 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 0.007 0.366 0.604 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 0.925 -1.314 2.975 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 26.310 19.416 -0.838 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 -15.154 -13.913 5.556 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 -3.619 -6.743 -3.396 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 6.373 2.004 -0.105 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 -0.854 -14.101 -11.147 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 3.267 2.712 -2.552 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 -5.737 8.926 14.509 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 8.698 7.469 -8.205 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 4.966 -1.505 -4.669 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 -5.722 2.969 -2.248 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 4.827 -1.229 -3.823 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 -0.800 2.941 0.982 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 -2.957 1.369 1.215 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 10.104 16.241 3.737 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 0.465 2.197 -4.328 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 14.701 2.989 -4.681 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 16.903 -13.790 -2.394 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 -2.068 -0.664 -3.186 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 4.236 1.872 -1.634 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 -6.328 -10.873 -7.520 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 2.790 4.084 -4.364 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 -1.339 -10.753 3.139 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 10.223 6.490 -4.347 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 4.308 3.335 3.130 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 -6.864 5.674 -1.347 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 6.342 24.843 17.410 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 1.779 -4.832 1.397 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 7.292 17.343 -5.740 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 10.338 20.233 -16.695 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 3.754 3.248 0.992 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 3.271 -6.594 -8.866 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 31.892 -5.853 17.478 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 2.403 5.471 -2.082 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 6.100 27.540 1.979 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 -7.248 28.621 0.672 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 -5.439 7.125 -2.094 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 -3.404 2.211 -9.573 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 19.851 10.393 -20.208 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 -0.841 -4.497 6.506 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 -0.208 -4.151 -2.484 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 -1.983 12.984 -13.036 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 -4.165 8.162 2.862 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 4.600 14.357 1.549 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 -8.650 7.788 -9.254 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 3.700 5.332 3.182 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 4.176 -12.040 -6.025 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 2.037 2.934 -7.948 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 -0.132 -6.526 1.489 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 -13.867 -11.089 5.486 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 -10.011 8.594 -6.527 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 -7.215 2.299 3.923 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 -27.069 27.215 21.008 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 -11.655 1.245 -15.082 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 1.403 -1.384 -4.677 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 -14.914 -15.593 6.773 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 14.011 12.085 -11.408 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 -3.493 3.206 -3.048 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 1.710 4.157 -1.859 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 10.525 5.496 0.407 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 4.057 0.973 -5.015 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 -13.660 -15.078 1.044 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 7.209 4.241 -5.597 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 1.409 -2.150 -0.780 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 3.826 -1.531 -2.127 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 0.455 -2.075 0.064 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 -0.639 -1.057 -0.073 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 8.325 -14.098 -12.548 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 -5.424 5.162 6.653 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 -0.131 -4.211 -1.529 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 20.793 2.793 -6.797 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 0.975 -24.779 -2.726 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 2.897 -4.294 8.570 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 7.651 -2.850 -9.968 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 -2.146 6.574 16.394 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 3.185 0.733 -4.290 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 10.037 -13.583 -2.293 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 26.115 6.368 8.421 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 1.270 6.732 0.126 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 2.605 -4.444 5.963 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 -4.675 20.174 -7.325 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 -2.413 7.477 1.908 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 -19.909 10.928 -23.272 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 -38.478 9.957 -17.358 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 -0.550 4.914 6.679 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 -9.203 9.200 5.943 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 -35.116 19.219 -4.655 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 -0.383 -3.092 -2.082 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 2.891 22.483 -13.104 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 1.855 -13.648 16.375 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 3.016 -2.759 -0.959 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 -0.677 -0.539 4.065 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 2.229 -7.240 0.750 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 0.984 1.957 0.272 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 1.356 1.144 -0.392 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 0.201 2.502 0.166 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 -9.303 0.816 -1.465 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 -20.173 -7.471 8.367 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 19.435 -9.053 -6.343 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 -0.071 -3.669 -3.575 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 -20.570 -18.426 -12.033 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 -8.307 10.184 -30.055 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 3.057 0.021 -3.886 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 -16.911 -7.460 3.949 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 -5.594 -1.339 5.733 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 4.311 5.963 -6.334 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 15.930 21.675 6.095 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 -33.158 1.427 15.754 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 -6.629 0.826 0.421 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 -4.884 -5.412 5.211 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 -5.289 -5.972 5.309 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 1.707 -0.093 4.599 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 8.573 27.327 -7.085 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 -19.819 -8.849 26.076 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 -6.971 -0.053 -4.143 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 16.610 27.007 -6.090 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 16.210 -10.077 9.957 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 0.294 -1.820 3.923 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 -4.178 -6.160 7.106 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 3.132 10.439 5.330 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 2.960 2.530 -1.401 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 -9.762 2.134 -18.013 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 7.458 -5.434 -9.883 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 -1.393 -6.499 -1.217 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 13.813 11.783 -14.198 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 -6.612 -0.986 -17.067 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 7.388 2.679 4.456 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 -21.847 4.198 1.258 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 22.118 -5.169 -15.326 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 -0.762 -2.302 6.132 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 22.617 22.938 -16.882 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 -24.923 -16.833 26.100 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 -2.059 -3.622 0.515 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 -16.950 -7.183 0.184 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 3.930 15.475 -4.570 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 -10.967 3.110 5.805 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 24.534 15.405 -13.535 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 19.028 28.567 0.867 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 -3.613 -0.490 5.031 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 20.505 -40.314 3.045 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 20.086 -1.593 -7.739 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 -0.065 0.472 -0.682 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 -5.808 -3.011 -5.549 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 -8.335 -7.139 -4.158 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 -2.180 1.454 3.410 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 -14.711 -4.309 -31.468 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 -14.632 -5.451 5.051 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 -5.102 9.880 -1.289 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 -18.443 1.120 -4.615 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 8.888 10.560 2.490 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 1.853 -7.077 5.986 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 9.502 -2.942 -0.917 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 -24.219 6.368 12.505 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 5.960 3.798 -0.629 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 3.545 -6.139 12.310 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 24.619 2.145 -1.156 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 -4.232 2.217 4.364 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 -10.679 1.446 9.133 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 -9.834 17.794 6.707 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 -0.155 -1.687 -0.733 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 -3.097 7.046 1.393 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 -17.791 -23.750 15.655 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 -0.897 1.818 4.577 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 14.538 -0.102 -4.023 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 -1.059 10.136 19.423 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 -1.303 -5.631 1.062 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 10.497 9.858 1.042 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 -0.813 15.080 -31.180 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 3.565 -1.753 2.838 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 -17.416 -23.277 8.217 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 3.439 15.895 -2.785 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 -6.285 5.932 7.351 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 -1.733 18.498 -8.258 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 0.607 -10.595 22.833 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 -0.032 2.595 9.776 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 -1.869 -9.449 -5.746 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 -11.839 26.261 17.983 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 0.140 0.587 -6.902 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 3.653 23.618 -12.613 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 2.675 0.904 15.825 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 -4.865 1.836 9.349 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 -5.032 2.640 7.559 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 -31.837 -2.329 12.468 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 -5.058 0.027 -1.208 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 -5.387 -1.485 -2.338 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 -23.657 -2.835 -3.921 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 0.583 1.725 -1.437 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 1.310 -11.121 -8.713 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 -15.432 -1.993 5.744 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 3.724 -5.938 2.729 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 19.718 -0.064 8.504 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 18.313 -1.077 8.361 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 -0.772 0.048 2.648 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 15.350 25.968 11.404 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 21.876 -21.467 -3.049 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 -2.747 -1.662 1.358 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 -3.449 -25.450 -9.603 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 -12.709 -22.747 -13.538 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 5.518 1.390 -2.591 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 7.750 15.598 9.308 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 -15.468 3.149 2.693 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 4.614 -1.678 -6.129 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 3.892 4.404 -11.413 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 6.528 -7.432 -6.499 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 -6.288 0.944 -2.460 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 -0.729 -4.730 -3.480 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 -15.158 11.181 0.768 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 4.556 2.734 1.921 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 -3.264 13.933 0.574 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 12.358 2.906 5.468 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 7.872 -2.583 0.392 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 1.351 -21.737 -4.402 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 -4.623 -13.634 -5.331 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 1.922 0.020 8.313 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 23.811 -5.030 -2.374 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 -12.458 -6.382 3.200 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 -1.471 3.014 4.028 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 -8.778 19.711 12.695 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 -8.252 -6.476 -24.746 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 2.595 2.562 1.874 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 3.201 6.427 2.100 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 1.765 -1.957 1.452 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 -5.072 -2.020 0.726 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 -1.082 -2.912 3.032 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 24.636 -8.625 11.532 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 0.345 -2.139 1.246 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 -13.728 -17.246 -20.095 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 5.495 1.879 2.897 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 -0.574 -1.047 -2.816 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 11.026 -40.311 -14.910 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 -14.921 -12.650 17.171 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 -3.325 2.661 1.415 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 -12.952 -8.770 5.846 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 3.680 -8.895 20.215 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 1.455 -4.602 1.624 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 -12.258 -0.133 13.489 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 1.492 8.211 -7.873 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 5.593 -0.715 -0.803 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 10.423 -7.449 -1.325 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 17.951 -3.070 5.038 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 -3.323 0.833 0.736 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 -6.458 -22.129 19.090 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 -5.747 -16.401 14.311 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 0.992 3.698 2.640 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 -15.590 3.034 10.997 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 6.558 1.492 2.129 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 0.411 9.180 4.427 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 -1.755 -7.165 -14.940 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 -2.575 -7.201 21.116 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 -2.431 3.751 3.023 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 8.029 -2.534 -7.447 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 -12.619 16.436 -2.959 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 -1.359 5.301 1.832 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 14.458 -1.451 0.564 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 0.587 21.813 -0.218 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 -0.042 0.795 -2.738 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 1.364 19.977 -15.732 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 -1.886 -0.207 -19.995 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 0.115 -10.088 -1.104 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 -0.733 -6.484 -3.706 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 1.052 -13.354 1.012 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 2.668 2.741 0.256 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 -3.667 1.591 -8.323 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 3.572 7.674 0.548 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 7.717 -10.230 2.854 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 23.893 -12.531 -6.127 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 -1.044 -15.669 -6.591 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 -7.423 -2.434 5.926 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 29.441 29.233 2.659 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 -21.671 10.390 0.128 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 1.381 -1.596 -12.405 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 -29.678 12.487 -33.360 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 -19.773 -6.455 -8.066 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 4.895 -4.841 -0.393 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 -10.929 -17.686 18.113 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 41.290 -19.391 7.178 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 4.664 -2.887 -0.523 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 -28.795 -18.072 -12.708 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 -7.692 -16.406 -16.497 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 -1.042 -2.955 4.018 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 2.703 3.910 -12.051 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 12.631 7.961 -17.655 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 -8.492 4.493 1.717 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 -3.035 -0.813 13.377 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 17.455 -2.188 -5.441 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 0.832 -8.198 0.887 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 -5.872 -32.027 -12.541 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 -11.865 13.088 -13.865 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 -11.272 -5.076 9.782 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 -7.883 0.281 20.139 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 -12.524 -1.347 1.348 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 1.472 -1.609 -7.184 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 -0.365 -6.793 -14.425 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 11.659 -4.049 -7.102 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 2.128 1.071 -3.913 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 5.946 -0.588 6.073 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 -1.042 3.060 -0.199 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 -1.632 1.233 3.515 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 -0.615 -2.352 6.269 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 1.475 7.493 4.283 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 1.397 -8.849 -8.039 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 -16.448 18.948 -7.296 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 -8.195 -1.535 -5.044 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 0.375 -3.418 -0.038 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 -5.679 0.418 33.006 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 -10.530 6.991 -25.571 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 -2.778 -0.774 -1.706 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 2.678 -2.643 0.704 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 -9.129 3.932 2.545 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 2.743 0.215 3.850 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 1.352 -10.412 1.262 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 -9.920 0.803 11.183 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 -2.855 -0.277 -0.332 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 -7.489 3.984 -1.132 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 -9.267 6.714 -1.967 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 0.740 -1.488 -3.096 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 2.878 -16.052 -3.781 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 -5.143 2.109 -16.315 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 6.304 -5.412 1.946 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 6.704 6.018 6.105 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 8.991 -1.736 3.203 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 -2.191 -2.546 -1.776 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 -4.734 -12.040 7.277 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 9.955 -1.928 0.121 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 1.404 2.571 -5.094 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 19.417 -13.553 0.550 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 5.542 4.866 -1.930 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 -5.627 -0.469 2.936 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 29.993 10.083 2.657 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 1.938 2.773 3.340 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 6.123 -2.680 -0.593 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 -22.090 10.457 10.001 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 0.730 25.707 -13.520 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 -0.395 2.327 3.514 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 -2.962 5.837 -7.000 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 -9.444 0.729 -7.307 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 -0.408 -3.149 5.110 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 -16.263 0.073 1.092 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 6.322 4.690 3.681 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 7.014 -0.290 0.469 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 10.203 8.598 6.961 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 -6.498 -9.437 -5.205 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 -2.111 -3.081 0.784 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 5.290 1.175 -13.661 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 -6.450 -5.127 -4.864 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 2.974 3.210 4.279 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 25.551 4.796 27.778 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 3.129 -16.248 -18.302 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 -2.027 -0.902 -2.601 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 8.767 -13.377 -5.659 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 9.196 -18.428 0.308 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 1.422 3.034 -0.106 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 -5.578 -0.458 -20.164 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 9.484 15.015 15.128 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 -2.417 0.614 1.475 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 10.382 14.919 -13.802 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 -2.810 5.145 -5.660 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 0.592 2.609 -1.832 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 7.122 -2.636 -1.341 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 -18.030 15.516 -4.810 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 0.750 0.111 -0.266 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 -6.078 -2.095 -12.681 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 19.179 -6.674 -4.583 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 1.272 0.788 -8.775 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 0.402 12.675 -2.221 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 9.983 6.011 2.100 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 -0.124 -2.576 3.156 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 5.042 -20.462 -4.984 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 -18.274 3.181 3.705 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 2.924 5.267 5.730 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 9.888 5.034 2.214 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 1.072 4.876 -19.119 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 -5.784 -0.676 4.797 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 -6.934 3.488 12.277 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 4.515 -12.176 -6.067 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 2.972 -6.081 1.010 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 6.165 -9.554 -0.578 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 -6.790 -10.882 -3.499 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 -1.242 4.287 -7.012 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 22.976 16.636 -1.029 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 -12.296 2.134 -9.396 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 5.723 -6.008 3.185 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 8.015 -16.517 15.235 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 14.090 -11.828 21.106 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 2.357 2.275 -3.144 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 13.788 7.721 11.777 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 -8.125 3.205 -7.682 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 -2.478 -4.650 -3.938 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 -27.441 -14.199 6.300 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 -31.480 -13.142 -15.366 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 -3.270 3.895 0.553 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 -0.054 -1.421 -16.868 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 7.088 24.115 -8.668 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 -2.619 2.035 4.352 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 22.422 9.088 8.374 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 -22.334 -10.324 5.914 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 7.569 -0.432 -1.342 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 24.587 1.082 2.042 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 -17.351 -11.044 -12.805 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 2.528 0.366 2.290 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 -11.605 5.714 2.844 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 -21.023 9.351 2.923 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 -1.490 -5.700 -5.093 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 7.745 -1.046 4.646 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 15.179 -10.317 11.209 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 -1.337 4.311 -4.385 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 -0.726 1.998 1.665 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 3.241 6.310 -6.858 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 -1.938 4.212 -0.447 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 -0.569 8.869 -9.374 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 -3.804 -1.229 -10.086 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 -0.027 -6.230 -1.628 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 5.764 -10.907 -11.055 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 12.021 -5.712 -9.836 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 5.844 1.455 -3.701 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 1.957 -7.445 -6.580 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 10.379 -9.697 -2.468 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 -3.253 4.520 -5.743 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 2.022 -5.233 -2.823 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 -17.120 -9.246 -5.455 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 5.131 2.926 -1.970 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 -9.826 -14.066 -5.389 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 -9.792 9.594 -14.591 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 -2.799 1.558 0.158 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 -6.634 3.784 0.176 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 -4.177 0.732 -4.493 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 -3.544 0.475 -10.741 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 0.425 -1.938 -13.686 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 -4.474 0.302 -11.342 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 -2.769 -5.942 3.061 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 -5.777 -10.352 12.332 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 -7.023 5.902 0.150 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 4.398 2.550 0.558 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 -16.017 -7.185 -13.984 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 11.888 -11.503 7.523 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 -1.301 -5.310 -6.661 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 0.249 -10.568 -11.046 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 -2.928 -6.803 0.522 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 4.823 5.374 2.068 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 15.681 13.132 -16.860 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 3.458 -3.382 -3.624 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 -1.587 0.415 3.845 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 13.900 -17.205 -9.083 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 17.599 -20.531 7.779 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 3.279 0.460 -4.477 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 11.179 -2.411 -1.305 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 8.760 -1.903 -1.761 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 3.241 0.915 -0.507 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 -6.367 1.057 -6.501 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 14.760 -3.221 -9.932 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 -0.833 3.045 2.734 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 -5.851 2.792 4.198 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 -1.912 6.160 2.304 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 -2.487 4.146 -0.522 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 -0.773 28.311 0.141 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 0.916 11.376 25.799 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 8.111 3.582 -2.125 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 10.121 23.220 7.727 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 1.098 14.365 5.530 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 6.756 2.847 -1.882 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 23.561 -12.840 16.181 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 -4.159 1.594 -8.093 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 -4.330 0.658 -4.810 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 -22.536 0.222 -27.163 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 -28.572 4.346 -25.268 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 -2.480 5.350 -0.189 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 9.099 8.446 -5.822 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 -5.856 -8.584 1.739 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 0.148 3.344 2.627 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 2.407 -5.613 -19.411 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 -18.018 3.766 -22.642 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 -4.808 -4.092 1.211 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 4.595 -6.759 8.861 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 -7.775 -3.341 -1.076 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 0.131 4.768 0.885 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 -26.035 -1.009 -10.001 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 -10.552 -16.543 4.142 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 1.500 5.730 -0.584 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 1.721 -1.067 -0.034 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 3.595 6.708 -7.416 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 7.582 -6.256 1.981 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 -17.024 6.881 2.179 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 5.533 -4.467 -2.623 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 -0.818 -4.934 7.850 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 -2.958 -15.238 5.136 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 -6.813 -1.874 12.031 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 -2.732 -1.769 -3.771 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 2.411 8.832 4.380 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 6.380 -2.575 2.148 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 -5.787 9.378 1.404 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 -7.317 20.052 10.306 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 8.530 10.495 4.217 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 -3.129 -4.098 0.882 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 9.277 -9.406 6.799 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 11.251 2.371 5.952 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 -2.706 -0.118 0.231 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 -8.330 -7.291 7.794 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 20.520 12.303 -17.159 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 -0.724 -8.655 -6.561 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 -2.765 5.022 -4.143 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 -6.724 -12.897 0.784 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 5.460 -1.041 1.440 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 -11.157 -0.105 -6.119 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 6.599 11.618 13.908 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 -4.092 3.257 1.608 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 3.869 5.162 -4.516 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 -6.110 -5.148 4.633 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 4.932 -1.913 1.544 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 18.923 -6.726 -6.280 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 4.243 3.314 16.911 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 -4.918 -0.750 0.260 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 5.245 1.487 1.430 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 0.791 -7.101 -13.664 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 11.135 3.087 -0.289 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 -12.399 17.558 -4.865 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 3.867 -15.974 -18.531 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 0.881 -2.873 -3.973 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 1.411 8.342 -9.985 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 3.629 6.570 -8.153 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 6.064 -4.559 -5.995 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 19.723 -14.216 -11.526 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 11.677 -3.088 1.989 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 8.225 4.096 1.885 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 -6.684 -1.207 6.000 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 -3.250 0.481 5.035 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 -2.238 1.172 -5.597 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 -23.897 0.645 20.542 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 -6.092 0.985 -0.980 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 -4.800 3.624 1.781 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 -4.185 4.768 13.451 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 -4.493 2.996 -18.084 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 -2.951 2.151 8.725 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 -10.013 -3.555 0.582 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 -0.462 3.822 10.275 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 -6.033 -2.049 3.858 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 -7.631 7.154 -0.852 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 -10.942 -9.741 0.130 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 2.366 -0.828 1.774 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 -1.405 -5.863 25.726 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 12.113 -13.554 14.608 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 -6.773 -7.031 0.438 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 -10.221 -10.729 7.069 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 -8.378 -9.611 -6.155 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 4.559 2.171 -2.545 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 18.807 -23.995 24.954 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 -7.929 3.729 -9.644 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 -0.229 3.973 1.121 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 -2.988 16.005 25.370 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 30.664 -13.316 10.320 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 0.033 4.459 -3.238 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 1.578 3.155 -6.393 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 3.578 1.502 -10.073 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 6.252 4.461 -0.092 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 5.901 7.790 -2.825 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 5.955 3.219 1.140 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 4.952 2.591 3.559 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 5.949 30.258 -6.346 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 -10.726 -19.253 -10.200 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 2.392 2.428 2.992 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 0.767 10.396 2.179 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 -3.129 3.131 4.200 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 4.523 0.442 -6.242 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 -3.307 9.694 -2.937 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 -13.674 4.741 -1.432 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 1.605 -5.181 5.214 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 14.042 -4.391 3.704 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 11.647 12.230 18.915 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 -4.265 -6.205 -5.558 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 -3.340 -0.210 1.979 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 -5.125 -6.755 -11.246 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 -0.851 3.334 -6.574 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 8.907 -18.502 -5.926 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 -7.166 4.343 -22.695 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 -6.525 2.042 5.047 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 -2.476 -7.159 9.232 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 -2.926 -5.354 8.154 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 -8.074 1.343 -2.502 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 -8.779 6.022 -1.047 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 -11.500 8.824 14.338 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 -3.124 1.067 -9.215 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 18.154 -13.305 -10.032 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 6.508 -3.087 -6.939 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 1.866 -2.075 5.155 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 -7.791 3.442 5.645 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 -3.950 -9.809 8.530 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 2.960 -2.548 -1.648 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 -12.736 5.554 11.394 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 13.170 -7.276 -9.666 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 2.749 -5.393 1.678 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 -14.215 -12.600 11.992 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 -6.895 -9.834 7.264 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 3.931 2.963 0.722 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 -30.684 -12.093 9.763 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 -11.049 -15.701 -13.843 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 6.217 4.682 -3.986 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 -8.073 -9.185 14.108 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 6.132 -0.530 7.085 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 -4.654 -3.644 6.332 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 14.439 -1.068 9.250 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 11.718 -14.186 -1.498 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 5.133 6.492 3.716 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 32.317 -2.738 16.507 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 -12.978 12.177 -5.682 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 3.435 -0.850 5.465 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 -4.167 -9.459 1.918 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 10.854 -5.915 -0.382 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 0.577 4.067 6.366 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 8.043 -4.414 8.284 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 9.711 2.240 10.563 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 -3.030 -6.141 -1.898 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 -9.158 -11.467 -0.736 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 -9.524 14.656 9.540 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 5.669 4.938 1.303 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 6.976 -4.780 3.927 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 -3.659 12.167 0.676 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 -0.058 -4.530 5.773 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 15.896 -15.625 -2.969 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 -12.792 -4.130 9.446 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 -6.969 -1.721 -0.069 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 8.914 -6.551 -12.622 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 -24.703 -11.339 -2.853 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 -3.838 3.391 -3.093 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 -3.939 -1.984 -10.343 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 -2.284 17.551 21.559 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 4.735 3.405 6.325 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 14.655 9.776 -22.397 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 16.322 -22.535 1.896 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 2.116 -2.571 1.745 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 17.840 -14.089 -1.771 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 8.941 11.229 14.707 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 -2.278 3.694 -5.603 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 -16.522 -2.650 -3.356 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 -3.411 2.589 -5.943 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 3.247 3.326 -2.804 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 -38.078 4.747 -15.077 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 8.074 -20.170 -0.146 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 -5.534 -2.055 6.638 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 -30.283 19.066 0.604 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 22.210 -7.314 15.659 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 -4.829 -4.314 -2.286 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 18.888 -9.186 -4.922 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 -1.466 18.359 1.472 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 0.696 2.895 -4.351 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 12.928 5.524 -0.197 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 -2.132 -7.233 -7.195 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 5.465 1.077 -2.273 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 -3.144 -6.070 -2.648 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 5.682 -7.187 -12.300 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 -0.707 -4.169 5.556 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 -4.181 -23.058 3.609 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 -0.599 27.871 3.078 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 -0.203 5.589 7.968 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 3.302 -0.251 7.284 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 -1.196 5.786 17.027 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 -4.452 4.110 1.423 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 -6.558 0.626 -2.627 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 -5.892 5.040 11.756 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 -5.479 2.865 6.047 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 -6.935 2.311 7.478 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 -8.238 -29.668 4.094 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 -1.409 -1.654 1.891 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 -19.812 -15.090 13.540 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 7.681 14.539 16.459 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 -2.650 5.894 3.692 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 -11.887 12.954 -9.636 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 3.177 -9.070 -0.189 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 6.905 0.810 2.331 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 0.423 2.642 3.355 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 -5.454 -25.628 15.044 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 -0.726 -0.190 4.456 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 -10.063 14.675 12.632 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 -1.490 -10.296 -4.042 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 4.516 -7.259 1.341 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 6.502 4.439 -19.108 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 -25.161 -2.248 -17.835 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 3.249 1.849 -6.750 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 -2.957 -14.213 12.296 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 15.065 0.489 -19.762 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 -5.034 -6.584 1.001 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 -16.196 -10.432 14.647 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 5.338 11.345 -12.971 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 -4.758 5.009 1.957 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 0.839 -5.418 -1.160 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 -2.756 12.758 -3.783 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 3.943 -1.631 2.620 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 5.008 13.566 -11.768 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 11.909 5.932 1.361 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 2.862 4.380 -1.710 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 8.388 5.010 -14.092 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 16.841 0.456 -1.715 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 -0.111 -5.763 3.561 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 19.840 30.066 -25.373 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 -2.122 -2.150 -6.697 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 -5.180 -0.329 -0.011 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 -4.469 -0.932 -0.824 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 -0.879 -48.358 -0.138 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 3.089 6.514 2.526 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 -2.098 -17.900 8.333 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 28.126 19.539 -0.842 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 8.215 3.278 3.771 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 -0.917 26.633 7.039 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 6.938 0.806 11.542 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 9.127 7.121 1.149 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 -5.533 11.721 20.686 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 18.132 11.760 -9.206 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 0.024 -3.583 5.015 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 14.887 -9.438 2.443 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 15.701 11.474 -15.334 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 -1.204 7.495 -2.457 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 6.916 -3.039 -0.468 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 20.026 -13.790 2.975 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 -2.236 4.539 -3.607 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 0.813 -2.163 0.131 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 12.399 -7.399 -18.497 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 -0.915 5.883 3.990 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 -32.340 -8.819 0.452 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 -6.637 3.258 4.378 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 4.552 -6.174 5.870 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 -8.962 -18.991 -6.058 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 21.911 2.799 19.302 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 4.073 6.595 -4.272 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 3.901 -4.050 -16.994 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 4.271 15.869 6.538 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 -0.557 0.748 2.233 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 -5.735 20.523 4.730 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 -1.145 0.719 1.238 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 4.464 1.829 -4.713 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 -4.612 12.144 -8.489 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 -8.526 -9.762 -14.641 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 6.633 1.927 0.850 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 11.080 -6.709 -4.959 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 -27.354 1.331 7.249 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 -0.693 -5.607 -1.880 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 -12.422 13.237 7.214 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 -4.559 -17.898 7.688 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 0.137 -1.138 -1.226 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 1.261 6.040 -40.407 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 -1.101 -4.472 26.921 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 4.520 -6.561 -6.475 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 -2.711 10.099 -15.011 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 2.794 0.485 -10.032 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 -6.680 2.408 -0.178 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 7.914 13.225 0.312 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 0.997 0.560 0.309 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 4.656 -4.920 -2.128 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 -10.970 8.954 -11.658 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 16.594 3.857 3.347 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 0.321 -2.861 -2.701 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 10.990 -11.067 4.414 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 -4.930 -0.668 7.801 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 -0.251 3.206 -1.297 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 -3.155 -0.226 16.739 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 7.035 30.047 -4.706 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 -1.734 1.093 -3.779 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 2.074 -6.927 9.963 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 16.364 12.082 -3.605 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 0.611 -1.233 1.629 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 4.326 17.115 -6.050 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 -4.340 1.832 -1.216 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 -1.677 -0.964 1.481 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 -2.441 -20.691 4.045 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 -14.702 15.271 -15.922 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 0.532 3.142 5.052 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 -4.163 -6.124 -6.133 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 -4.537 -7.362 -7.543 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 -1.526 -2.060 -1.030 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 -17.009 -37.624 46.306 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 14.929 -6.244 0.411 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 -5.140 -6.665 11.001 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 -14.825 0.749 20.616 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 23.608 22.734 18.888 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 5.590 1.039 2.830 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 -0.929 -3.916 7.144 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 -12.252 -8.252 10.968 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 -3.177 2.111 -0.239 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 -12.246 -1.231 10.508 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 -18.268 0.548 27.786 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 -5.810 -0.267 -2.208 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 -27.170 9.904 26.362 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 4.234 -6.435 -0.312 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 9.678 -2.944 -5.264 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 -2.687 16.054 -22.844 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 14.703 14.618 0.370 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 1.681 1.179 8.613 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 -3.288 0.210 4.710 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 14.710 3.728 18.615 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 5.706 1.450 -4.891 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 -12.412 -0.118 -4.238 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 4.708 -3.970 -15.848 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 0.155 -11.297 4.054 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 4.574 -6.469 5.296 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 7.538 -6.799 3.931 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 2.171 -3.517 -2.301 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 15.575 -7.002 18.556 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 -5.365 6.431 -38.349 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 1.849 -0.873 -1.103 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 8.315 -18.361 -2.462 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 -5.271 19.248 0.961 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 -5.789 0.376 -4.279 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 -14.441 11.929 -14.272 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 12.590 17.502 28.407 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 -2.511 -8.157 -3.659 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 -8.969 7.594 12.921 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 8.313 24.619 18.726 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 1.242 2.487 -6.853 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 5.594 3.166 -17.661 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 -18.401 17.658 0.091 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 -2.407 0.087 3.235 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 13.633 9.608 -11.986 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 -17.812 14.029 2.466 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 1.072 2.940 -3.105 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 -5.075 -16.367 14.796 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 2.025 12.293 -11.558 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 -0.542 3.305 2.899 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 6.792 -9.503 17.865 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 1.720 -11.004 -11.787 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 1.125 -10.261 1.997 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 -9.868 -5.064 -16.982 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 5.672 -14.264 10.716 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 -1.549 2.969 1.755 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 -29.042 18.139 -0.915 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 -9.839 -8.565 -7.264 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 -0.007 6.217 0.126 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 1.611 4.684 7.721 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 -5.609 1.571 -6.194 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 -0.114 3.344 3.182 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 -16.156 13.729 -0.011 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 -4.553 3.929 17.555 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 4.293 2.099 -3.376 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 5.895 1.390 -3.557 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 3.301 0.574 -4.471 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 -3.733 0.167 -5.503 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 -10.704 6.685 -10.134 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 -10.736 3.421 -8.137 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 0.554 4.532 -0.029 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 2.255 16.120 -23.250 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 16.736 18.516 10.370 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 -3.009 2.231 1.374 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 -1.575 -3.095 -5.185 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 -4.951 5.638 7.637 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 2.733 2.617 0.044 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 -3.186 -1.944 -10.188 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 8.315 -0.436 23.228 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 -2.195 8.081 1.520 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 7.437 -5.118 -12.662 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 8.117 2.093 18.453 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 -0.156 -5.337 2.068 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 -1.476 2.731 14.647 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 -14.628 5.033 -5.445 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 -6.569 -2.585 1.980 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 4.239 -1.119 1.616 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 8.403 0.637 1.624 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 1.651 -4.573 4.000 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 0.982 7.961 -3.866 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 6.340 2.425 -2.342 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 4.377 -3.062 6.755 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 5.115 -2.129 11.841 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 12.545 -5.886 4.712 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 -2.382 7.536 -2.061 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 -2.666 -4.040 -10.364 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 9.266 4.530 -3.991 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 -2.651 7.336 -5.779 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 -17.286 -7.044 -1.624 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 11.246 -0.366 -17.112 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 2.655 1.839 0.032 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 -10.424 -10.773 0.275 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 -11.921 -18.894 -14.875 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 4.027 4.060 -0.708 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 7.301 0.168 3.638 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 16.328 -4.204 4.142 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 -4.763 -2.879 1.006 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 -5.626 3.701 -12.512 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 -4.979 -1.533 0.430 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 -0.895 -1.030 1.416 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 11.400 9.503 16.428 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 21.217 -15.536 -2.497 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 -8.736 -4.488 3.265 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 -20.205 13.276 3.729 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 -0.826 -6.990 22.966 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 1.575 3.448 -2.582 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 12.973 22.300 10.125 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 -1.287 -7.837 2.013 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 -0.953 3.812 8.540 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 8.082 -0.735 22.794 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 -1.660 16.607 -1.793 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 -1.781 5.942 -2.846 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 2.339 -6.759 -6.341 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 4.835 -10.526 -7.056 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 1.071 -4.856 -8.099 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 -11.813 -4.654 -2.746 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 0.653 -5.165 -8.196 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 -1.536 -5.097 3.848 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 -8.361 -26.022 -5.901 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 -14.960 -0.260 3.065 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 3.100 6.192 3.661 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 18.216 12.114 6.000 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 -10.466 -3.870 3.461 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 -5.858 -4.743 10.642 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 -3.941 13.543 23.702 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 -16.136 3.561 -7.722 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 -3.377 -1.539 -2.026 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 -0.946 7.574 -8.583 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 -11.338 2.177 2.430 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 1.008 -1.137 1.397 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 4.739 -4.889 -6.020 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 15.750 11.311 15.758 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 3.433 9.467 6.376 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 2.514 -3.147 -5.501 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 12.078 10.018 4.035 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 -2.764 1.716 -6.620 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 -2.423 -23.647 -6.524 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 -1.607 -19.595 3.175 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 5.365 -2.794 -2.616 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 -13.663 -1.205 6.872 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 2.571 -3.406 12.631 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 3.814 -0.307 8.465 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 7.941 13.007 19.614 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 4.071 -0.497 -9.261 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 2.058 8.991 6.285 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 -7.371 -2.688 -4.861 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 14.021 -11.254 13.110 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 0.279 2.500 -4.228 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 4.301 -10.060 1.446 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 10.516 28.231 2.609 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 -0.663 -5.622 -0.899 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 4.762 -6.441 -7.844 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 2.984 5.068 6.173 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 0.458 2.612 7.020 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 -5.991 28.120 -34.850 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 1.873 -3.736 10.062 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 4.092 -5.659 -3.746 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 -17.575 -19.402 -5.167 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 11.899 14.198 21.326 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 -4.733 1.667 -9.952 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 -10.314 -9.522 -6.573 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 -9.097 3.666 -21.367 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 -5.274 -9.197 0.589 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 22.385 24.254 30.072 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 -8.120 -6.873 -17.549 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 -0.710 2.228 -2.649 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 -15.278 17.180 3.504 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 5.358 -17.725 12.495 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 -0.890 0.750 -0.570 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 -3.138 11.927 6.829 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 5.056 -34.465 -17.504 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 0.153 0.548 -1.354 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 -7.003 4.521 26.630 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 1.176 15.053 -6.487 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 0.895 -7.584 -6.953 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 4.873 -9.808 3.538 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 -14.689 0.451 7.782 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 7.801 -2.355 -0.611 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 -3.553 1.687 2.134 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 1.166 -0.602 0.505 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 -1.985 0.653 1.777 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 -9.514 -18.056 -11.351 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 7.911 -11.789 -5.307 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 0.028 -4.498 -2.719 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 -1.735 -0.954 12.138 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 -1.594 7.140 -7.299 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 1.181 -1.449 1.353 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 -8.865 -12.496 0.323 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 -7.114 -12.171 -18.030 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 -3.090 2.744 -2.954 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 25.314 5.880 -27.142 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 -10.160 -3.434 15.166 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 -5.473 -1.876 3.087 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 -8.810 5.054 -8.908 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 -6.114 -2.623 2.343 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 -0.225 -1.319 5.411 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 4.850 -6.884 5.220 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 6.673 11.809 10.946 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 2.356 0.638 1.047 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 -15.447 -3.313 -2.069 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 4.976 1.543 1.493 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 2.349 1.737 -0.866 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 -1.506 7.300 -2.377 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 19.716 -24.233 -11.096 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 0.162 -3.770 0.026 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 5.661 3.632 21.859 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 4.236 -4.119 11.417 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 3.191 -5.564 5.043 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 1.226 16.120 -24.290 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 2.082 -28.800 29.671 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 -1.662 -4.294 -4.819 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 20.656 -7.679 29.285 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 20.170 -15.612 -46.374 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 -1.839 -3.608 -6.585 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 20.580 -5.536 7.180 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 -19.614 3.933 4.784 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 -3.061 -4.796 1.387 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 25.983 4.768 -1.051 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 10.133 7.431 -18.179 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 -1.409 0.382 -5.895 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 -13.388 6.169 -12.569 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 2.454 4.184 -3.144 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 -8.413 -1.948 -2.087 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 22.979 4.361 -3.302 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 -6.339 0.735 4.143 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 -6.496 -7.163 -6.402 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 26.045 -10.519 -12.246 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 2.287 12.908 -9.771 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 5.106 -8.638 -2.251 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 -8.787 -0.499 6.269 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 12.093 -9.163 -11.756 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 2.362 0.167 0.376 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 -10.818 19.376 -3.937 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 -3.279 8.008 2.259 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 1.602 1.806 -2.288 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 -6.597 -6.432 -2.645 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 9.973 9.039 -2.108 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 -2.419 -0.445 -1.121 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 -6.044 -8.960 0.388 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 6.152 -14.238 33.845 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 0.656 4.778 -2.074 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 -2.072 8.686 -6.807 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 -7.108 38.731 -8.899 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 -0.495 -4.487 0.381 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 -1.174 13.095 11.671 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 -10.796 -17.442 9.828 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 2.380 8.752 -0.452 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 -16.065 27.282 0.444 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 4.773 1.228 13.662 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 1.538 -7.215 1.466 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 3.324 -14.845 6.753 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 -0.195 -10.153 -5.304 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 8.011 -5.665 2.861 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 32.611 -31.675 -2.641 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 -11.514 3.661 10.808 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 -5.649 -1.627 -6.344 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 1.107 3.579 1.936 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 -17.896 -0.006 -30.162 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 -4.191 -3.608 5.245 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 -2.710 4.998 19.858 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 -6.735 -13.816 1.837 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 0.521 -4.456 -1.874 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 -3.437 13.104 -13.182 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 8.808 -12.296 -8.448 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 3.292 -2.033 -0.629 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 14.526 21.123 3.363 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 -0.564 -7.463 28.202 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 4.254 -4.846 -2.640 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 4.956 -6.914 -6.033 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 5.658 -7.834 -4.911 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 -1.570 -0.247 0.067 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 -1.525 -3.869 7.853 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 13.917 -8.099 28.050 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 2.291 -0.412 -2.911 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 -6.417 1.813 -5.156 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 0.054 -14.873 -10.291 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 0.961 -2.312 -5.933 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 -8.817 -4.020 -12.221 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 -1.206 5.495 -5.267 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 0.990 -8.104 -4.400 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 6.964 -13.985 2.029 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 6.761 -16.525 1.808 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 -4.890 5.893 1.851 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 -0.399 5.987 16.516 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 -20.026 -17.113 0.645 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 -11.411 2.439 -3.514 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 -32.268 -6.175 -29.006 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 -4.472 5.568 2.822 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 4.819 3.498 10.795 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 -9.839 7.316 -11.953 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 12.817 -22.754 10.174 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 -1.432 0.863 3.454 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 -0.301 8.895 5.062 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 6.613 -1.937 2.974 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 -2.149 -3.549 5.050 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 29.494 1.213 -3.712 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 17.075 -16.024 3.040 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 1.147 0.828 6.025 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 -4.384 -2.116 3.164 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 1.371 10.916 11.602 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 -0.281 -0.673 -5.527 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 4.272 -12.620 -13.053 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 -18.217 8.948 -10.965 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -3.811 2.076 6.407 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 -0.342 -17.197 -17.081 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 -1.059 2.251 9.831 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 -3.937 -3.344 0.921 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 -11.407 -0.752 -4.203 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 -5.814 -3.627 6.192 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 -0.553 1.436 5.171 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 4.745 -11.596 0.872 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 0.697 -12.485 -2.681 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 9.960 -5.607 0.114 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 5.348 -9.243 -0.461 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 -5.150 5.136 4.129 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 0.208 -6.258 -2.014 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 -4.546 -1.462 -11.867 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 5.139 0.320 10.900 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 -0.338 4.900 5.179 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 -4.215 14.856 11.880 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 6.109 20.692 -5.257 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 4.716 0.198 3.602 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 10.784 -1.644 -1.143 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 4.745 17.378 6.852 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 -0.523 -3.259 -0.553 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 4.371 -20.758 2.318 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 1.931 -21.882 12.184 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 -3.786 -4.324 4.357 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 -9.270 6.039 -7.417 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 -1.038 2.995 -0.288 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 -0.020 1.089 -6.007 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 -0.272 14.905 13.150 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 2.413 -9.668 -19.187 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 -1.831 -0.342 2.219 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 -10.442 -6.336 1.048 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 -4.945 -14.260 -4.921 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 -4.375 -0.423 2.756 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 9.259 20.218 5.774 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 1.519 -9.782 -15.976 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 0.034 -0.936 4.866 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 22.062 -8.012 -3.943 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 7.188 -4.650 3.804 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 1.801 -1.988 4.538 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 3.998 -2.047 -11.684 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 -5.192 -9.231 13.985 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 -4.278 -6.488 -0.924 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 27.593 0.003 -11.181 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 -22.490 -0.586 -28.336 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 -0.959 -0.521 0.543 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 14.917 14.471 24.763 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 -2.351 -3.954 -3.466 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 -0.763 4.687 2.930 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 -0.245 1.638 -0.358 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 -1.784 7.679 5.221 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 3.341 4.342 3.803 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 7.054 9.588 -8.395 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 9.438 10.313 -10.241 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 -0.187 2.054 -5.799 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 -20.359 11.667 5.331 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 -32.090 22.232 -17.834 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 -0.948 1.366 1.068 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 -5.332 4.026 2.593 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 -4.102 -4.286 6.189 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 7.512 -0.697 7.309 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 9.384 5.822 -2.246 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 -0.064 -1.483 8.082 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 2.110 -1.785 1.053 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 20.017 7.865 3.381 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 1.558 -19.423 10.137 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 9.137 1.665 -1.742 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 11.613 7.211 5.065 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 2.301 -2.956 -5.791 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 0.071 7.921 -0.786 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 -1.693 4.652 -7.253 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 -1.453 2.801 -7.985 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 -6.355 -1.127 -0.774 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 -10.355 -1.184 0.146 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 -3.320 -0.307 -1.743 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 1.798 -8.752 3.690 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 25.684 3.153 -10.601 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 19.642 14.151 -7.385 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 2.111 2.289 8.328 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 11.243 5.407 6.312 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 2.242 3.667 19.392 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 4.261 -2.049 3.285 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 -1.833 0.175 -11.594 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 -5.244 -13.826 10.190 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 4.088 3.600 -7.466 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 8.538 8.172 -11.599 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 4.289 -0.562 -4.618 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 2.842 3.911 -5.735 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 0.925 -4.374 4.161 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 4.234 -23.632 20.480 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 1.538 -1.654 2.729 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 3.914 -1.793 0.928 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 -4.420 2.053 5.690 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 -5.612 3.821 2.228 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 -22.958 -6.151 -22.354 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 16.422 -16.375 -6.658 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 0.759 1.378 5.440 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 -2.482 -0.272 9.346 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 2.213 1.593 6.886 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 -4.847 -3.179 -3.634 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 -21.898 3.753 -5.449 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 -1.896 -16.688 -17.513 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 3.899 -2.460 0.287 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 6.444 -8.916 1.160 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 -0.335 6.375 0.914 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 -1.082 0.124 3.596 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 -5.924 7.057 14.086 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 22.995 -9.329 -6.875 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 -3.095 -2.610 -4.271 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 5.170 -21.901 -5.785 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 -0.466 -14.718 20.049 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 1.008 0.470 2.293 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 18.355 -0.004 -2.695 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 -0.068 -3.715 5.172 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 -2.801 -0.118 -0.957 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 17.121 7.815 -1.754 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 -16.178 0.638 28.041 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 4.331 -0.801 -0.836 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 14.253 -1.653 -6.109 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 -7.088 -1.657 6.187 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 -0.110 -1.413 0.195 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 3.419 16.645 -16.764 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 -3.210 5.526 9.395 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 2.145 -6.787 2.805 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 11.181 3.528 24.068 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 3.585 -6.792 0.434 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 -0.246 -0.336 -0.835 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 -18.490 -5.473 -30.180 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 -2.908 -10.068 20.159 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 5.452 0.255 2.823 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 -10.250 18.958 1.800 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 11.779 -4.381 -20.563 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 -6.302 4.691 5.503 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 12.765 -7.717 -8.746 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 -6.022 -10.247 24.018 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 -2.389 -3.181 3.428 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 -1.425 -3.393 -10.667 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 7.918 4.835 6.609 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 -9.285 1.594 2.832 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 -9.439 -5.978 -3.783 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 -8.486 5.766 -8.655 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 -0.707 2.813 9.880 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 21.051 -13.454 -17.634 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 3.783 0.245 5.523 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 2.354 2.894 -0.506 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 12.321 9.662 1.563 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 -0.378 -1.995 -2.602 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 4.171 3.441 -5.773 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 4.957 3.052 -5.659 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 9.478 -7.597 -4.966 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 -6.226 -3.483 1.511 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 -12.965 -10.510 10.099 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 4.154 -5.161 -2.738 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 -2.331 0.870 -1.122 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 7.362 -0.936 -6.549 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 -3.472 -3.358 -3.978 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 -3.227 -1.257 3.456 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 17.437 -3.361 13.716 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 -2.107 -37.825 15.346 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 1.476 0.586 -4.254 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 -8.008 1.037 -1.250 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 0.624 -5.696 -9.071 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 1.276 0.822 2.090 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 1.187 17.047 -7.447 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 -8.994 -1.364 14.543 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 0.731 -0.061 -1.615 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 -16.461 12.040 -3.090 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 -15.445 30.983 -7.126 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 6.230 -4.393 -2.148 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 12.224 2.053 -11.570 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 -1.755 -7.847 3.974 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 -1.739 1.689 4.631 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 30.894 10.432 -15.070 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 24.745 6.036 -10.728 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 1.196 2.667 -0.094 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 -3.509 2.030 -5.192 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 -11.072 12.621 5.825 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 2.798 0.855 0.743 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 0.890 -7.251 7.179 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 5.204 -1.109 -23.038 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 -1.618 -4.452 0.400 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 -0.216 2.837 -3.192 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 -4.144 -7.436 -6.476 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 6.147 0.927 -6.958 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 4.037 -2.469 -12.790 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 7.639 -0.026 -3.238 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 -1.681 -4.837 2.860 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 -3.301 -27.077 8.551 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 7.164 -0.438 -9.920 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 -0.763 -2.795 1.561 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 -11.099 -9.108 -1.808 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 -15.349 -11.795 3.192 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 -4.445 -4.749 -3.540 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 1.206 12.536 7.111 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 -9.628 15.981 -27.370 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 2.778 2.468 3.118 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 5.412 -0.323 -12.483 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 1.223 1.102 19.927 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 5.734 -2.327 10.001 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 -7.093 -13.841 30.777 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 -7.273 -28.750 -13.589 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 -0.046 -1.532 2.814 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 -5.855 -3.146 -14.976 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 0.022 17.266 -18.506 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 -1.566 0.232 -5.638 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 -4.433 -5.313 -3.644 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 1.176 11.719 -1.769 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 -0.582 -1.686 1.675 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 4.083 -1.943 -7.501 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 1.985 -4.140 -4.388 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 1.301 -4.230 -1.691 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 -12.760 4.514 -2.737 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 11.680 2.959 -12.454 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 1.431 -0.710 -1.123 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 -18.173 -13.514 -11.362 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 -3.525 4.080 15.187 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 8.362 0.560 9.572 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 15.605 12.410 -2.279 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 19.133 -4.190 -19.117 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 4.006 -2.223 4.275 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 10.697 -2.834 8.832 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 8.199 -7.079 -6.000 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 -2.594 -1.647 0.219 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 -0.290 -13.285 13.699 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 15.314 15.421 -2.998 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 3.348 -4.378 -0.383 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 43.583 16.313 20.059 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 -13.304 -11.684 -23.088 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 -7.887 0.664 1.361 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 -4.261 6.432 5.598 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 -6.774 -9.709 -2.859 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 -3.652 1.835 4.000 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 10.860 15.393 -8.926 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 -21.122 -18.527 14.113 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 0.923 1.031 3.949 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 -22.013 8.957 5.004 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 16.804 -1.279 -10.721 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 3.260 8.907 -8.633 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 10.189 -9.387 -5.482 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 15.936 19.490 2.418 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 -2.591 1.519 2.895 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 -0.639 -4.848 -1.164 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 5.048 6.560 1.524 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 -2.430 2.161 -1.166 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 -22.722 1.590 -11.774 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 11.891 -2.653 -13.786 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 2.329 2.271 -4.014 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 0.939 1.161 -8.492 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 0.340 5.415 0.559 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 1.262 -0.319 -10.412 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 -7.441 2.579 -11.170 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 -5.383 -2.041 -1.855 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 3.811 0.617 2.617 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 -10.593 -2.914 -11.915 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 -12.556 -1.424 -12.150 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 -7.247 -5.139 -8.341 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 -22.760 -0.624 9.378 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 11.683 14.109 -3.239 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 -0.201 4.591 4.760 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 28.553 12.159 -5.184 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 -2.133 -18.355 -7.684 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 0.024 -2.945 4.602 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 6.238 1.047 -9.200 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 24.240 11.161 25.881 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 -1.091 -4.461 -3.481 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 14.732 13.642 -0.869 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 -24.319 2.670 -2.530 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 -1.384 0.564 -6.985 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 -6.419 -4.636 -8.212 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 0.269 -2.168 2.275 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 -3.670 1.897 3.578 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 8.709 -22.063 -17.171 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 4.503 27.589 -9.750 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 -8.124 0.802 4.055 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 3.235 12.138 -6.256 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 -13.361 7.575 5.850 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 4.061 1.614 0.746 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 10.369 18.338 -7.858 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 6.848 11.290 17.199 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 3.440 0.011 3.086 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 9.902 1.427 -3.315 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 -19.121 7.188 16.368 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 9.406 -5.286 6.146 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 2.704 9.442 -3.568 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 17.375 -15.249 -6.387 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 2.985 -0.632 -1.679 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 9.265 2.342 -2.728 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 -1.045 4.012 -4.186 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 1.710 -3.155 4.649 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 8.314 -12.946 -18.687 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 0.953 -25.472 12.187 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 5.639 2.956 4.729 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 4.201 8.270 9.519 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 -12.192 -7.513 3.560 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 0.351 -7.259 -0.709 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 25.834 -8.416 14.763 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 -18.990 -0.980 -1.244 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 5.871 0.921 -1.914 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 30.791 -1.512 -1.030 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 -12.899 12.352 22.370 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 2.141 1.787 11.835 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 -13.760 -0.134 -12.559 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 -0.363 -11.309 14.761 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 -2.331 -2.137 1.041 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 -1.453 6.880 1.715 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 2.371 -11.693 6.816 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 0.355 -1.737 2.720 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 0.919 -5.793 0.568 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 1.118 -4.445 0.808 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 3.078 0.077 -1.567 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 12.613 16.227 7.455 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 5.255 -2.679 11.901 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 2.519 0.455 1.043 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 -0.803 7.731 -0.806 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 11.014 -16.594 27.312 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 1.361 0.532 -5.543 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 -3.351 -0.435 -3.222 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 -26.205 -14.956 -22.969 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 -4.960 -2.720 4.867 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 -16.943 4.559 8.686 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 4.731 -4.777 1.848 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 -1.412 -2.194 -0.873 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 12.599 1.050 4.813 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 -4.494 -4.729 14.259 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 1.742 2.041 4.030 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 -0.432 3.536 -0.710 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 8.094 -2.486 19.886 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 -7.517 8.454 -4.550 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 -26.855 -4.989 3.465 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 8.347 6.337 6.867 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 -2.631 8.895 -2.619 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 -16.433 0.818 -28.417 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 -13.916 -6.066 1.016 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 -4.675 -1.674 3.965 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 -16.733 -8.386 -2.296 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 9.999 6.894 11.393 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 1.597 5.363 -4.824 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 4.575 3.321 -2.036 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 -4.329 4.774 1.902 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 -0.931 -4.696 3.413 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 -7.379 -15.885 4.254 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 9.007 -7.260 4.575 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 -4.794 -3.479 -0.845 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 0.693 0.638 -2.536 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 9.844 25.567 -7.332 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 -2.570 9.929 -3.637 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 -5.687 4.673 13.055 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 -9.330 16.157 4.908 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 -6.977 -4.010 -1.886 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 -6.026 14.045 -6.090 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 -9.368 -7.609 1.762 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 -1.091 1.152 -5.688 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 -6.845 22.929 13.717 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 -18.305 12.486 18.238 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 -6.978 1.416 0.812 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 0.024 -5.449 -1.464 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 -7.402 3.538 0.400 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 -1.624 8.665 0.294 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 3.015 -7.676 -10.558 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 2.685 1.914 3.310 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 0.728 -3.012 -3.168 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 15.108 3.529 -12.047 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 -13.022 -15.670 -1.138 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 -4.421 6.520 1.977 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 0.986 0.679 -0.555 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 -10.685 -6.564 7.112 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 1.803 0.052 1.694 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 -13.815 -8.037 8.225 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 -1.978 -4.384 8.914 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 -3.844 0.143 5.783 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 6.693 -13.609 6.337 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 -7.877 13.473 -1.709 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 0.086 5.700 1.505 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 -1.374 -4.100 -5.398 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 -11.880 13.943 20.962 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 -0.754 1.154 10.560 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 -6.083 10.386 0.005 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 2.126 6.871 5.577 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 0.454 2.028 3.013 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 9.620 19.116 18.318 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 15.232 -5.844 -13.163 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 -2.832 -0.004 1.739 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 16.748 -25.996 -1.047 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 -9.492 8.674 1.674 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 -2.491 -1.795 -8.182 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 -2.293 13.282 -12.237 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 -3.848 -16.923 -8.586 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 6.159 -3.095 0.351 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 -12.653 -17.535 8.086 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 -12.690 -3.082 8.990 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 -2.123 -4.097 -5.771 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 -6.080 -10.174 8.550 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 -18.735 -0.384 -8.804 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 1.292 -6.833 1.139 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 -26.445 -3.843 -11.647 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 -7.389 41.796 19.487 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 -3.810 0.044 4.405 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 11.217 -2.389 -10.514 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 -9.477 15.141 8.531 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 11.628 -0.253 -0.590 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 16.568 12.247 -20.312 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 -20.838 -0.277 -1.798 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 3.728 -1.995 -10.779 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 14.259 -18.935 -4.935 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 2.363 -0.280 -10.954 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 -5.530 0.947 -11.308 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 -13.340 -29.115 -15.571 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 5.685 -0.923 -18.644 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 -1.105 0.926 4.712 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 -28.154 0.541 -3.304 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 -4.651 17.622 12.607 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 4.979 -0.620 -3.328 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 11.336 -21.049 -12.171 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 -0.428 5.600 0.928 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 -5.961 -1.297 -4.558 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 27.093 -2.227 -18.585 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 11.126 0.664 -11.440 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 -8.069 0.004 1.113 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 -16.984 -16.828 -11.086 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 -32.524 -13.197 1.517 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 2.860 -2.614 3.156 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 -8.644 -4.013 9.102 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 0.451 -10.559 -10.237 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 -2.106 -0.960 5.022 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 -12.296 42.519 0.208 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 -15.580 19.249 -15.205 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 -0.709 -7.091 -5.184 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 -1.477 -7.529 1.253 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 -0.568 -8.342 -1.745 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 -1.056 -12.532 1.908 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 -13.586 -13.986 -16.684 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 8.203 -9.036 9.203 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 -0.118 -3.681 -1.036 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 -10.097 -46.107 1.452 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 18.238 14.656 -10.011 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 -5.212 7.379 -1.362 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 -5.606 6.656 -1.401 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 -5.175 9.477 -2.327 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 -4.612 6.232 -2.132 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 -2.843 -2.593 11.064 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 11.445 3.510 -29.335 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 6.174 -3.048 -1.228 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 7.088 -1.332 17.029 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 12.271 -24.080 0.701 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 -3.875 -3.620 -0.944 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 -14.626 11.374 22.221 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 16.082 8.613 9.004 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 -4.139 -3.672 -1.199 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 -51.391 -5.246 -2.283 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 2.627 -14.086 -4.381 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 9.570 2.069 6.074 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 11.561 -0.496 1.041 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 17.650 1.483 2.208 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 2.730 -2.426 0.858 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 2.992 22.362 -2.517 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 0.021 -7.677 17.205 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 -0.608 -5.638 3.587 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 -1.768 -17.862 0.802 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 5.961 7.149 -10.260 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 3.098 3.478 -2.712 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 4.094 -3.041 -3.297 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 -19.537 -1.567 -2.534 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 4.152 -3.295 -1.777 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 -4.386 6.971 -9.470 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 1.441 -5.263 14.796 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 -1.624 -0.616 -0.505 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 -1.238 5.961 0.401 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 3.615 8.190 15.065 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 2.231 -4.796 -8.143 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 -16.475 17.748 -33.437 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 -6.040 -17.545 4.377 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 -4.245 -6.414 -2.824 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 -8.830 1.227 -7.508 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 -15.444 -27.861 -12.735 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 -0.583 -1.038 4.003 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 1.896 1.468 -8.747 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 -12.745 9.992 13.779 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 -3.733 1.920 0.436 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 34.717 -6.844 -17.624 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 -21.926 6.001 5.872 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 -5.062 1.465 5.650 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 15.000 8.604 12.648 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 -3.706 -13.587 -12.371 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 -1.667 -2.657 -2.033 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 20.544 2.688 -4.420 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 20.775 -7.559 -7.489 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 -3.224 0.976 2.300 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 -1.749 14.785 20.502 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 16.669 9.116 15.579 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 3.099 1.892 3.344 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 0.020 -25.380 2.681 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 -20.599 11.868 -7.469 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 2.071 -0.901 -0.730 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 5.301 2.037 -10.942 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 -6.867 -4.060 -0.731 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 -4.921 6.889 -1.253 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 8.294 0.188 12.103 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 -1.311 26.405 -3.048 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 1.319 2.201 -6.386 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 -8.979 -7.546 13.163 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 9.404 -18.330 17.299 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 1.832 0.549 3.995 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 -15.793 -4.644 -6.077 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 -6.501 8.449 -25.400 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 -5.360 3.135 -5.166 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 10.430 -4.806 8.243 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 5.536 28.902 -14.362 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 1.067 -0.615 -1.653 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 -6.169 -11.356 -8.751 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 1.959 0.562 -40.486 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 1.516 -0.209 -0.285 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 -6.065 23.334 8.674 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 4.051 -0.154 -20.527 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 4.362 -8.738 -0.010 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 13.952 -2.354 -4.237 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 3.450 -14.278 -11.795 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 -1.165 -6.474 -1.490 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 -5.056 1.039 -3.014 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 6.074 -7.731 -10.954 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 8.035 0.768 -6.854 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 14.311 3.731 -24.174 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 16.426 -12.699 -2.688 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 3.423 -2.267 3.344 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 -15.493 7.578 17.848 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 -1.821 -1.617 -14.212 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 -4.226 9.728 -0.445 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 -9.390 6.058 -3.463 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 -37.113 16.475 -13.859 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 -2.184 -5.596 -2.124 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 -2.596 -0.370 -4.205 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 -5.548 -12.283 -4.356 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 -5.656 -2.334 -1.769 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 -11.759 8.051 2.304 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 -0.035 -7.003 -7.459 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 -7.779 -1.476 7.849 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 -8.586 9.356 -1.935 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 4.619 0.905 14.169 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 -5.820 -6.001 2.946 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 8.655 -0.593 -9.322 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 1.651 -4.052 0.767 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 -1.167 0.969 -6.059 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 5.296 2.388 -3.385 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 2.634 3.979 7.139 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 5.449 -1.290 2.042 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 2.644 -0.309 -7.022 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 20.425 -0.451 19.802 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 -0.142 -4.085 -5.851 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 9.889 -17.313 19.394 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 -2.703 -8.587 1.550 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 2.909 8.035 2.946 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 -36.484 -11.800 0.481 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 -24.362 -16.149 1.754 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 -1.420 4.337 -4.389 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 2.175 4.387 -5.128 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 -31.393 4.723 0.205 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 3.767 -0.200 2.886 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 -19.262 3.365 30.016 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 10.249 -35.220 21.334 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 -3.172 6.044 -3.420 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 0.585 19.986 -7.634 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 14.863 2.494 -13.906 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 0.472 6.102 -1.631 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 5.753 21.562 5.192 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 7.157 14.973 -16.174 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 -0.313 1.988 -2.355 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 -13.268 -17.604 -8.430 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 1.075 1.364 -12.455 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 -2.269 4.616 0.295 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 -21.506 29.498 3.639 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 -6.331 10.618 1.267 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 -2.177 -1.701 4.909 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 -21.664 -8.718 19.188 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 -23.537 19.496 27.805 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 -0.675 5.903 1.185 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 2.066 0.833 -3.328 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 7.691 -12.260 -9.962 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 -2.150 -2.927 0.412 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 -6.814 18.072 -7.486 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 2.240 -7.097 8.922 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 -2.481 -5.553 0.079 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 4.096 9.535 -14.132 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 21.200 -7.656 18.279 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 -0.659 -2.682 -2.723 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 6.830 -11.325 16.723 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 4.770 -11.414 10.168 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 1.180 -0.482 -0.214 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 -27.186 4.518 16.952 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 5.134 -4.153 -14.827 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 1.338 -3.924 4.640 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 28.682 -7.944 4.512 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 -9.592 -15.186 -4.204 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 -0.766 -5.486 2.155 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 -30.118 10.329 -0.884 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 12.479 -8.951 4.992 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 1.357 1.535 -9.240 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 -11.072 4.273 -11.207 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 -5.398 -16.230 -12.438 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 -0.798 -4.399 -0.518 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 10.549 0.310 15.324 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 -15.770 6.302 0.770 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 6.081 -5.057 -7.177 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 11.023 0.816 30.202 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 -10.843 3.604 2.845 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 1.072 -0.107 -0.160 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 -6.334 -5.051 -10.679 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 -19.598 19.073 -3.740 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 5.475 -4.234 2.507 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 2.821 13.535 8.958 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 21.888 -11.282 8.409 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 3.174 -4.547 -2.626 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 2.661 -9.913 -5.008 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 9.165 -0.045 -5.370 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 -4.591 3.066 0.685 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 -3.485 -25.107 -15.535 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 33.427 8.343 5.597 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 2.069 3.407 7.014 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 -3.778 0.246 12.464 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 0.793 10.135 12.797 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 2.766 5.370 1.875 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 8.793 -1.841 -0.060 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 8.646 12.321 4.263 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 8.336 4.109 0.772 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 -5.938 -2.275 11.692 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 11.998 -6.873 17.443 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 3.865 -1.798 1.232 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 8.006 -2.038 -0.856 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 8.297 -7.699 21.476 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 3.417 -0.877 -3.758 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 10.850 6.049 -12.876 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 18.491 13.564 -24.050 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 8.792 4.218 -1.582 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 -12.104 -31.682 32.299 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 2.356 -5.170 9.889 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 2.381 -2.222 4.648 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 -5.045 -3.957 18.878 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 17.149 30.920 -16.083 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 -0.293 -1.570 -3.302 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 -16.232 4.685 -11.098 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 -9.586 8.817 -1.867 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 2.177 3.933 5.228 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 -4.561 7.601 11.718 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 -13.170 6.375 -0.047 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 3.201 4.115 5.753 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 4.832 6.850 -7.896 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 5.557 -1.252 3.941 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 3.289 0.944 0.253 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 -8.235 0.391 8.798 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 9.985 -16.867 13.183 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 3.369 5.490 0.390 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 -1.138 -9.571 -17.886 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 -6.065 9.324 16.523 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 -5.500 -1.128 1.675 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 -5.757 1.596 10.072 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 5.811 -3.913 1.804 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 6.549 -3.908 2.381 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 -11.791 -3.573 -14.099 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 -4.622 -4.795 0.033 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 8.678 -6.913 -4.958 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 -5.907 0.409 11.428 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 6.151 -17.808 7.308 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 4.107 1.584 -4.553 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 -2.929 0.805 0.894 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 1.788 3.156 -11.140 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 0.999 -9.147 -2.781 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 8.569 -8.813 -3.009 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 -5.844 -1.717 -2.877 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 0.162 -0.976 3.126 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 -2.201 -0.669 5.114 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 9.504 -1.156 -4.849 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 -0.529 2.570 -0.252 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 -0.978 6.305 14.490 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 -1.645 6.926 20.433 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 0.906 1.741 -1.001 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 4.877 0.540 10.125 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 -0.985 6.134 1.075 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 -4.495 3.526 -2.516 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 2.802 5.801 12.747 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 -0.690 2.597 11.149 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 -6.485 2.339 1.765 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 -3.647 12.497 -5.047 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 2.214 -3.363 1.244 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 -2.645 0.008 -4.166 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 0.262 -6.268 3.176 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 -0.812 -7.868 29.730 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 4.114 0.443 -1.291 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 -12.444 17.463 -3.512 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 -5.170 9.293 -11.885 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 -1.760 -0.851 3.123 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 -3.079 -24.133 18.068 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 -5.880 15.525 -6.180 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 -2.118 -2.123 4.504 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 5.743 -7.919 4.399 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 11.106 20.430 1.852 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 -3.022 2.275 2.345 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 -9.360 -7.724 5.424 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 -12.693 -3.581 -2.846 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 -5.831 1.081 -8.369 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 8.728 -9.192 11.461 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 1.125 2.840 -7.095 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 -0.433 2.251 1.353 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 2.285 6.716 8.337 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 0.201 14.157 -1.134 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 2.499 -0.207 0.900 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 -0.826 -1.814 0.339 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 4.370 -19.158 0.392 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 -0.050 0.913 -1.964 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 -0.748 0.801 -1.860 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 -17.727 17.008 -1.453 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 -4.104 8.453 0.547 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 7.499 1.729 7.262 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 -0.783 10.055 -0.988 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 -8.836 -7.030 -4.415 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 25.301 -2.833 30.468 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 -14.533 -19.235 -2.593 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 -5.726 2.340 2.405 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 23.082 -12.376 15.444 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 4.715 -4.707 3.997 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 -5.424 3.082 -6.361 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 5.063 19.854 -8.476 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 -11.660 -21.274 -1.464 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 -1.046 -3.337 -1.181 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 -11.906 20.003 -29.742 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 29.353 -2.273 -11.271 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 -4.325 -1.597 -2.866 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 -6.882 -34.376 -13.914 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 -3.064 -1.169 -14.700 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 1.418 5.147 3.163 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 9.107 -15.182 -11.250 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 11.668 6.236 -7.344 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 0.498 4.179 -5.321 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 -10.283 30.885 -15.510 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 9.179 -2.791 -4.505 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 -1.971 3.386 -4.509 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 21.476 -9.060 -7.644 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 13.262 8.452 13.250 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 -2.449 4.572 1.368 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 0.425 9.883 0.566 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 -4.040 5.183 -4.050 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 -0.245 0.110 3.526 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 2.160 -9.412 2.772 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 -4.598 14.347 6.289 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 -5.449 -0.759 2.359 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 0.681 9.208 1.297 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 -11.897 -3.808 -6.336 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 -1.770 3.163 -3.031 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 -1.483 -12.049 -5.347 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 14.424 11.185 -0.967 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 -1.267 0.019 -0.262 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 -8.160 15.641 1.719 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 -4.509 -2.580 -1.988 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 2.792 -1.284 -4.269 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 -7.230 -3.381 -12.668 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 -2.960 -27.003 -21.570 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 -0.648 -1.473 8.082 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 -12.936 9.538 -3.000 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 9.955 -7.386 10.023 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 7.197 4.833 2.882 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 7.273 4.542 4.828 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 -6.421 2.431 6.008 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 -1.983 -0.177 -5.265 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 8.291 -10.935 9.893 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 13.777 21.079 10.951 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 4.678 3.305 6.074 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 5.138 -4.171 8.488 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 -1.401 4.489 9.629 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 -4.343 -3.007 -4.612 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 3.347 2.598 -19.216 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 -13.733 14.217 5.990 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 -0.409 2.503 -3.737 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 -7.806 7.798 18.513 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 6.733 5.375 14.307 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 -7.713 5.323 -5.024 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 -5.193 21.168 3.193 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 -18.598 0.040 15.494 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 -2.904 -4.058 0.166 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 -16.253 -8.794 3.380 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 8.123 -4.037 15.075 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 7.350 -3.119 7.751 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 13.488 -10.857 -5.016 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 -11.175 2.175 -3.805 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 -6.580 -3.779 6.802 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 -18.972 -6.210 11.146 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 5.790 0.354 -0.012 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 -0.568 -2.596 -2.781 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 -9.795 0.406 0.969 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 -5.483 1.712 1.160 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 5.615 -0.872 1.457 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 4.952 -16.418 0.438 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 -3.260 2.314 13.983 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -3.394 -3.434 4.724 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 -12.386 4.596 -7.937 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 -15.737 -16.439 -12.424 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 0.078 -0.625 1.064 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 8.013 13.596 -15.153 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 -12.703 -20.347 -7.104 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 1.799 -0.729 -3.625 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 -5.632 -12.488 -5.099 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 -17.403 0.710 -5.700 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 1.354 0.258 1.019 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 -5.788 0.716 10.088 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 10.457 24.004 -0.550 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 1.912 -3.849 0.944 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 -9.729 1.238 1.646 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 7.975 2.563 2.390 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 3.879 -3.884 -0.384 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 -2.474 -7.369 -3.719 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 8.569 0.228 10.263 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 -3.736 4.653 5.344 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 -3.579 6.750 -1.424 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 -19.979 0.627 5.094 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 1.014 -2.228 -4.622 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 -13.276 -8.827 -2.232 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 -13.106 9.522 -14.882 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 1.717 2.445 -5.494 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 5.073 6.570 -12.690 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 4.921 -5.721 -6.377 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 4.062 -2.385 2.204 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 -29.983 3.570 -3.824 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 21.232 -8.584 2.943 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 -4.674 0.691 -1.282 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 12.634 -0.024 7.810 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 15.829 5.935 -7.574 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 0.232 3.320 1.229 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 -14.110 -2.391 -10.678 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 2.303 12.568 5.389 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 6.665 0.936 -2.751 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 -2.793 -6.749 -10.736 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 3.455 -0.491 10.049 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 -0.681 -2.834 -1.983 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 -7.736 -15.693 5.798 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 -7.854 -4.727 2.718 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 -4.374 1.055 -3.348 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 -4.000 -1.371 -1.764 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 5.495 10.650 -5.550 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 -4.379 1.300 2.199 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 -0.685 -18.031 3.279 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 16.503 5.638 5.718 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 -1.525 -0.597 -5.833 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 3.929 2.420 6.898 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 1.073 -4.669 -9.121 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 -3.526 -3.617 -1.732 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 1.900 -7.253 6.265 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 9.737 2.276 6.940 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 -2.783 1.955 -0.412 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 9.138 17.074 -30.161 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 -26.938 -22.411 6.833 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 0.137 -3.498 9.489 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 -2.074 2.735 -2.823 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 -0.071 -3.224 7.579 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 -1.670 -0.743 -4.598 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 -17.497 -8.950 -5.229 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 -4.323 4.792 -8.592 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 2.184 -2.312 -0.791 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 5.484 -7.335 7.774 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 -10.127 -10.064 3.604 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 -3.090 2.097 -1.045 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 -4.671 -6.561 -2.650 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 4.468 1.007 -1.258 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 -1.989 1.733 2.876 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 -10.913 1.484 1.860 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 -21.236 -7.827 7.047 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 -2.662 0.337 4.416 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 -17.868 9.635 30.712 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 2.333 -3.221 -9.465 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 5.389 1.483 0.158 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 -0.634 -13.058 -0.341 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 8.204 -19.975 -8.253 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 0.363 -2.143 -7.874 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 8.630 4.479 -4.362 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 -7.476 7.294 7.813 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 -2.331 7.803 1.119 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 1.948 12.192 1.071 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 1.012 5.828 -0.891 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 -6.923 -4.723 -1.236 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 10.992 -2.153 -13.376 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 -5.422 -4.831 -3.199 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 0.854 0.559 -0.246 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 4.087 6.150 14.714 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 18.569 -7.754 0.536 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 -3.101 2.022 -0.835 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 7.156 -14.887 -8.982 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 11.657 18.526 6.437 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 -1.207 -2.851 -3.388 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 1.714 13.641 2.489 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 2.450 -0.505 -1.018 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 3.450 -4.622 1.625 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 -0.015 10.436 16.006 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 1.185 5.049 -17.889 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 2.344 -2.395 -0.127 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 -3.805 -16.283 -2.414 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 15.132 -1.162 6.805 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 5.475 0.886 -7.758 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 22.360 -23.306 -12.151 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 -11.984 -19.892 -20.541 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 -1.006 0.131 -4.893 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 -3.545 -22.423 10.723 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 -1.894 27.145 -5.760 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 -4.270 5.700 0.223 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 -4.648 -5.457 -3.345 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 -1.211 -4.510 0.016 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 -2.550 -1.185 -2.312 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 6.276 17.531 1.298 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 -8.418 -0.951 16.078 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 -1.534 -2.847 -7.388 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 24.635 -27.545 -7.007 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 10.128 8.070 -10.911 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 -5.789 -1.145 1.758 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 0.037 9.851 3.298 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 -3.378 -8.969 8.016 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 -4.578 1.053 0.358 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 -16.667 -10.768 8.747 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 1.385 9.041 -7.196 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 -2.691 -2.983 5.813 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 2.134 -4.253 11.591 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 -15.524 -6.293 3.902 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 4.802 4.703 3.904 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 -19.636 16.183 11.621 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 0.655 -11.694 2.610 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 0.907 1.248 -4.743 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 -17.476 10.719 -7.086 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 4.721 23.065 -2.414 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 -0.227 -5.370 -0.500 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 7.336 -14.396 11.587 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 12.468 0.513 -3.157 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 1.514 3.305 -2.298 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 -0.346 4.782 -4.616 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 6.673 -2.590 -0.753 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 7.959 -0.619 -3.130 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 -0.746 -10.205 -9.531 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 -9.438 -26.328 -17.523 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 -2.423 -7.903 5.108 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 9.580 -6.389 -7.136 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 0.134 -3.768 -6.420 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 -5.729 0.258 4.641 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 -5.091 35.363 -1.918 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 -9.619 26.887 -0.900 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 3.682 -1.460 2.817 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 4.732 -19.853 -7.467 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 -14.515 10.322 17.444 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 -3.817 -4.684 5.140 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 5.208 43.641 7.360 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 4.661 8.204 4.693 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 2.815 -1.498 -0.412 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 -12.921 -1.693 -3.847 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 -10.204 -3.413 -16.526 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 2.505 0.450 0.096 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 -3.544 -4.280 -0.743 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 4.936 1.790 -1.979 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 -1.556 9.106 -4.818 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 -27.052 7.602 -6.890 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 -9.209 -3.055 -8.749 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 0.834 7.303 0.061 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 -2.707 9.155 -7.722 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 -0.315 4.730 -4.782 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 3.947 -1.346 -9.137 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 3.888 -8.184 -10.369 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 -2.297 0.389 -10.049 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 3.257 -0.284 -8.780 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 -19.683 -1.407 -11.346 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 -0.820 -0.896 -7.695 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 9.917 0.247 -7.215 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 11.658 12.045 2.686 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 6.912 -21.616 -27.474 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 -2.934 8.013 11.153 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 5.481 11.871 -2.895 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 -17.239 17.538 2.113 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 0.306 0.251 5.749 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 -6.285 -25.332 2.748 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 -3.377 3.799 -14.670 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 7.718 -2.888 -0.243 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 -0.023 3.729 -11.346 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 11.863 -6.701 5.695 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 -3.284 -0.396 -5.486 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 4.466 -6.746 -3.962 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 -2.131 -2.993 -2.553 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 -6.979 5.957 1.898 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 4.728 12.271 -3.609 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 -29.405 -6.420 11.990 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 1.673 3.437 0.242 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 4.426 8.289 -3.683 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 14.538 -5.017 7.319 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 4.469 -4.598 2.185 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 18.588 -5.938 -17.617 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 4.187 13.086 11.408 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 3.657 -1.730 -0.750 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 -3.960 -0.021 -5.800 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 -8.362 13.578 -3.234 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 -0.296 -6.007 -1.234 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 -8.412 2.186 3.510 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 7.260 17.124 -21.976 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 -0.054 -1.695 0.454 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 -8.093 -11.984 7.558 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 7.824 2.585 -14.799 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 0.163 3.332 -0.156 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 6.219 -2.682 0.465 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 -8.217 -12.917 -3.705 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 -5.757 -1.313 2.151 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 -0.662 3.880 14.951 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 -4.261 0.126 5.007 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 4.179 8.470 -4.389 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 -7.788 7.966 2.171 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 21.502 8.466 8.228 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 1.389 0.775 3.386 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 -20.177 14.417 -1.086 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 0.426 -8.999 14.020 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 1.178 2.720 0.134 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 12.457 18.121 -1.126 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 -10.774 10.509 2.213 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 -2.502 -2.429 1.923 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 -9.598 -12.880 1.871 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 -4.180 -6.849 3.993 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 -0.698 5.445 -2.789 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 7.008 22.233 -6.161 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 10.478 -6.835 -11.719 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 -2.746 -0.408 8.853 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 -0.689 8.188 8.923 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 -18.299 -8.557 6.357 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 -4.999 -2.113 1.774 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 -13.755 2.790 -4.579 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 -3.489 0.123 31.128 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 -2.514 -3.586 -2.287 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 24.111 -1.035 2.072 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 7.538 -8.974 7.599 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 -3.345 2.585 0.934 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 8.470 23.051 0.410 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 -4.440 -4.398 0.424 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 -4.619 4.656 -3.151 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 -5.383 0.564 -8.935 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 5.968 -10.496 -6.352 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 -1.010 3.995 -4.114 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 1.820 -6.573 -22.419 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 5.417 -2.651 -18.427 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 2.503 0.238 1.187 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 1.924 7.769 -9.482 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 4.735 8.233 9.026 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 1.635 -7.224 -0.367 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 4.679 22.741 9.218 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 3.663 18.287 25.275 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 -0.664 -0.433 2.663 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 -2.282 11.597 -6.374 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 -14.340 -2.359 10.390 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 -2.416 1.744 0.003 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 9.357 7.506 3.860 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 0.718 -10.130 0.558 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 2.392 -1.917 -0.454 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 8.290 15.696 -21.488 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 19.152 18.970 8.610 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 6.196 4.274 -1.677 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 -10.929 -2.682 -17.160 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 14.472 8.049 6.343 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 -6.444 3.078 -0.781 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 -23.783 9.852 -9.866 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 3.472 19.236 -2.082 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 -3.700 2.670 5.121 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 -6.712 8.286 6.888 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 -10.308 17.362 4.396 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 2.506 4.486 -1.546 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 20.016 4.753 -22.080 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 11.940 10.663 4.178 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 0.377 -9.762 -6.586 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 28.812 -0.090 -26.423 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 -12.471 -5.194 -12.945 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 2.409 4.579 -5.781 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 13.936 -2.102 -6.478 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 2.382 -1.949 -11.823 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 3.000 3.601 1.928 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 -0.053 28.861 6.508 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 -1.147 -7.227 25.482 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 -5.796 -1.525 0.182 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 9.606 -10.081 21.022 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 2.688 -2.132 25.463 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 4.045 -6.472 6.020 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 11.088 -11.189 22.026 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 9.690 22.166 -2.697 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 3.810 4.928 -0.493 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 -3.448 14.909 17.874 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 1.081 1.867 -1.144 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 -4.817 8.316 0.774 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 -1.887 9.448 4.239 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 4.749 10.447 7.982 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 -3.342 0.871 2.903 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 1.047 -6.581 13.777 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 0.631 4.121 -25.442 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 8.712 -1.921 6.073 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 10.843 5.197 -7.310 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 7.302 2.918 6.783 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 7.145 0.660 -4.929 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 2.547 6.978 -1.077 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 8.260 -17.054 -14.914 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 6.345 -3.614 -5.430 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 4.615 1.191 -3.279 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 19.964 0.576 -2.952 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 -2.378 -10.194 3.139 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 -10.427 11.125 -14.633 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 2.107 -14.388 -4.801 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 2.757 -2.030 3.282 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 15.711 5.054 19.200 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 12.495 -2.300 0.238 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 -3.717 -1.074 6.291 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 12.696 -20.451 -4.947 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 -31.417 3.458 -5.657 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 -3.054 0.899 3.566 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 -7.387 0.419 2.985 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 -3.705 -1.335 8.328 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 0.274 0.274 -5.015 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 18.323 6.543 -9.517 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 -0.304 -15.439 -15.336 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 -3.999 0.688 4.900 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 -8.892 0.974 24.513 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 3.420 -10.786 21.427 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 0.925 -4.665 -4.421 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 7.115 -4.931 -2.287 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 -22.579 -0.284 -21.559 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 -4.666 -2.076 -4.622 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 -13.701 4.517 -10.427 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 -5.366 -21.689 -4.516 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 -2.237 1.118 -1.754 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 -7.641 -16.080 10.706 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 -0.311 3.646 -4.164 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 -8.357 -3.258 2.214 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 -17.220 -5.604 -16.326 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 -4.558 17.226 4.181 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 -7.465 2.486 6.658 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 9.419 22.130 -6.176 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 11.128 -26.469 25.349 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 0.247 9.249 -8.071 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 -9.634 -3.793 -11.702 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 11.359 26.555 12.116 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 -1.715 -6.673 0.619 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 -3.260 -15.192 -20.731 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 6.266 3.806 13.693 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 -5.432 -1.030 2.573 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 -12.881 -10.917 3.507 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 -1.783 0.377 0.284 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 2.301 -3.533 3.367 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 11.805 -7.332 -6.052 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 -15.594 -6.741 -1.260 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 6.979 -0.935 1.099 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 15.327 13.144 14.621 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 3.391 22.879 9.760 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 3.669 1.305 -8.758 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 10.531 -8.349 -10.214 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 4.107 -1.794 -2.686 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 6.641 2.669 -2.432 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 12.768 -6.874 -18.227 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 20.321 15.218 -4.198 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 5.623 -1.187 1.094 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 3.627 -16.895 18.036 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 18.323 1.981 -0.766 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 0.015 3.042 -1.285 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 -2.534 0.694 -1.608 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 -3.036 1.956 -1.194 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 -0.382 -4.371 1.613 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 -6.073 -9.159 -2.865 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 13.736 -13.362 -8.169 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 -6.979 3.899 -1.396 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 -8.443 10.286 -4.290 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 -2.362 22.952 -7.360 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 6.017 2.909 -4.313 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 -1.265 -1.204 -2.252 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 8.988 11.264 13.514 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 -2.070 -1.467 -7.123 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 15.606 -9.446 7.337 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 9.101 -4.038 1.085 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 -2.089 2.707 1.713 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 -4.194 2.316 -11.387 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 15.466 2.937 -14.693 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 -3.256 1.015 -5.831 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 12.886 40.587 -4.273 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 5.548 -9.430 -0.634 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 -2.982 -1.555 -5.097 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 -21.119 19.752 -8.732 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 -9.345 3.584 -4.990 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 5.133 -8.417 1.740 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 15.061 -3.767 -8.763 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 -8.249 0.943 -11.632 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 4.890 -2.803 -8.355 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 9.202 16.602 0.773 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 7.663 -16.085 0.411 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 1.240 2.360 -5.263 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 2.634 0.423 3.038 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 -15.874 -11.584 -23.286 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 -1.755 2.952 -6.422 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 1.882 6.052 -2.550 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 -7.685 -5.874 -12.134 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 5.959 0.848 -3.087 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 7.004 -0.414 -2.847 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 15.888 27.489 5.162 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 -4.494 1.013 -0.454 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 0.222 -10.761 -0.342 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 -3.919 -7.964 -3.497 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 -8.949 -8.357 1.814 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 -19.217 0.271 0.580 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 -1.482 -16.286 11.849 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 2.827 -3.539 -6.913 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 4.903 -2.649 9.528 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 -6.868 -6.179 15.722 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 -1.007 3.736 0.879 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 5.328 2.966 -4.008 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 -16.910 -4.329 9.128 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 -2.852 -5.176 5.767 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 7.146 -11.548 21.702 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 1.015 -7.874 18.694 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 -0.903 -1.291 -0.036 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 16.653 -3.957 -9.145 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 -6.968 7.598 29.001 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 3.144 0.626 -2.503 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 -17.188 6.817 11.549 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 -2.382 10.112 -22.136 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 4.336 5.644 -2.307 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 18.709 -7.833 0.733 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 11.352 22.771 9.796 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 -0.099 -3.457 2.550 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 -16.917 11.551 13.132 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 -12.300 -10.688 -6.130 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 1.757 1.564 -5.273 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 -6.825 -0.391 -10.482 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 11.603 5.338 -10.056 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 -0.704 0.626 0.951 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 1.323 5.602 -22.332 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 -8.715 0.054 -20.600 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 -2.711 -0.138 -4.084 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 13.126 -7.585 3.896 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 -15.879 1.401 -7.302 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 -1.834 3.632 -1.199 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 22.698 -11.124 6.148 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 12.320 -10.827 3.079 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 1.459 3.555 2.057 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 1.516 0.525 9.934 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 -1.003 -1.184 11.773 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 -3.075 11.362 0.135 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 6.202 21.918 -1.844 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 -8.949 -13.180 1.377 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 -3.870 2.285 -4.221 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 -7.527 -7.793 11.266 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 2.968 -11.524 -4.213 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 -3.038 8.633 3.000 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 -6.983 7.047 0.909 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 -5.392 14.807 12.553 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 -1.543 2.117 -5.476 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 -0.450 -14.683 4.765 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 -11.316 15.277 -13.688 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 -4.436 5.938 1.646 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 0.642 3.515 6.785 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 -24.411 13.418 -17.304 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 4.075 -0.131 0.182 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 -11.913 -1.500 -6.286 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 6.899 -1.826 7.533 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 -1.535 -5.365 5.788 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 14.408 -5.288 9.232 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 -9.462 5.320 18.132 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 0.030 2.379 4.915 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 2.429 5.230 13.151 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 -0.812 5.477 6.572 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 -3.990 -4.339 -2.407 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 20.469 -6.392 -28.737 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 -9.468 3.746 9.310 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 2.378 -8.628 -2.917 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 2.856 6.556 -5.964 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 7.469 -12.509 -10.143 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 -1.165 -0.481 3.386 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 -0.896 -1.406 13.158 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 -0.214 6.786 2.547 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 -10.159 -2.681 6.454 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 -2.831 -14.729 -5.091 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 -2.771 -3.798 7.959 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 -5.140 -3.006 4.259 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 -15.064 3.360 8.019 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 7.265 8.930 -2.843 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 -5.835 -1.497 -4.505 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 -18.053 4.070 1.389 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 6.648 3.910 1.255 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 -3.025 0.302 -0.797 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 -5.919 26.177 8.160 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 7.354 12.330 -8.387 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 -0.327 7.206 -2.467 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 10.607 0.701 -7.207 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 -7.557 2.908 11.153 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 11.337 3.362 0.428 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 14.594 19.448 0.521 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 11.324 -7.998 -4.013 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 -0.302 1.346 1.115 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 -1.926 19.921 13.486 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 4.444 6.355 6.657 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 0.780 3.766 5.284 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 -8.350 20.631 11.349 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 -0.505 6.522 5.578 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 4.460 -3.081 0.929 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 33.055 -28.697 11.478 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 -6.816 5.538 -3.447 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 1.577 3.260 7.242 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 14.080 22.595 2.267 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 0.804 -3.083 12.165 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 3.031 -0.234 -1.828 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 -6.547 -24.606 -3.999 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 28.585 -3.766 2.849 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 7.534 0.958 0.948 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 19.917 -1.518 -13.587 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 6.198 2.305 4.556 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 -0.101 -6.879 2.689 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 -10.341 -0.280 -26.412 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 23.048 -9.063 8.151 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 -6.119 0.834 -1.427 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 5.635 -21.509 -8.244 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 -10.866 -17.290 5.361 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 -2.949 4.277 -1.688 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 -16.541 4.841 -17.814 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 -2.657 5.312 -14.332 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 -6.073 3.987 8.906 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 3.192 -3.099 11.677 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 -2.055 -5.878 6.808 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 2.960 -1.993 -3.740 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 -1.772 -0.988 -6.141 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 3.881 -8.498 -10.845 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 -0.593 7.481 -1.416 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 1.153 15.537 -8.175 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 8.698 -2.427 12.640 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 -0.953 0.336 5.906 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 3.657 -11.499 5.925 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 -4.815 19.347 2.664 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 -4.324 3.904 4.812 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 3.951 12.257 -7.380 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 7.887 -8.367 10.292 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 0.032 4.840 -2.755 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 16.135 -0.677 -10.682 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 -12.096 -9.540 -8.449 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 1.149 2.752 2.016 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 -7.477 2.316 7.786 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 9.917 7.484 3.705 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 1.844 2.756 3.005 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 13.402 6.182 17.749 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 -2.653 -11.497 -21.530 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 -1.984 1.903 -4.344 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 -0.065 -9.160 -17.559 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 -5.972 16.243 -5.635 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 1.306 -9.093 -0.171 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 2.678 -13.993 -7.346 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 2.592 15.873 5.267 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 7.509 -0.616 1.014 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 6.405 4.923 1.079 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 13.728 -8.678 2.502 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 -1.376 2.205 1.922 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 2.701 1.405 -11.632 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 22.983 -12.447 5.991 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 1.300 -5.223 8.128 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 -7.494 -17.660 10.757 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 -6.737 -0.415 3.525 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 -1.976 -1.390 -0.961 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 6.859 -1.275 1.270 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 8.960 1.679 1.861 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 -0.228 -1.440 -1.827 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 0.291 -4.170 -4.628 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 -3.124 8.325 6.220 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 -0.894 1.051 2.763 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 -11.570 -4.959 15.942 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 7.131 -17.421 -2.606 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 -0.533 1.163 1.950 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 10.377 -17.648 -14.830 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 -0.418 26.592 -12.771 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 4.661 -1.949 1.200 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 27.043 -3.117 -3.888 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 -4.095 -19.322 -18.628 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 -0.527 0.457 -0.351 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 -23.249 43.180 -2.318 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 2.034 -0.743 10.753 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 -0.996 -9.610 2.839 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 1.685 -15.105 -18.071 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 -0.386 -1.227 6.161 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 5.773 -3.258 -7.381 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 -1.893 -7.880 -14.223 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 -1.927 0.840 -7.241 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 8.835 1.041 2.977 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 6.799 -22.941 4.654 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 16.689 -11.731 12.301 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 4.959 -4.397 -0.151 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 -6.092 -9.877 4.824 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 -5.873 -5.815 5.686 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 1.045 6.882 1.846 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 5.657 -6.821 4.419 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 -6.960 13.314 -1.521 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 1.952 5.938 -3.769 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 11.551 1.084 -15.370 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 22.961 -12.562 -9.577 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 -0.268 -7.906 1.038 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 5.392 14.687 5.335 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 -14.575 0.213 -11.286 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 -0.148 1.581 3.593 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 -11.462 0.506 7.209 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 10.132 -7.779 1.116 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 3.545 -5.181 3.705 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 3.966 0.092 11.579 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 -16.528 -15.157 1.813 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 -0.494 -3.339 -2.146 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 -3.377 27.465 -15.143 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 4.160 -50.732 -5.484 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 2.972 3.684 -0.839 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 -4.789 -10.848 -3.624 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 5.180 0.095 -2.708 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 -4.328 7.237 -1.442 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 0.231 23.329 -10.826 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 15.438 -2.533 0.533 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 4.094 -0.471 9.076 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 -19.989 5.447 -18.180 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 3.624 -0.189 13.934 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 8.599 -4.195 2.859 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 6.632 -18.967 -4.473 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 8.462 -13.327 -7.190 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 1.612 5.845 -0.346 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 -13.781 8.977 -2.081 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 9.392 2.405 -19.574 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 -4.358 2.716 5.162 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 -0.973 -2.860 5.891 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 0.663 -5.871 7.375 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 4.826 -2.458 2.005 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 5.977 3.363 -2.019 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 2.741 -10.624 1.701 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 3.303 -3.286 -0.063 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 1.290 8.839 -15.265 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 -16.538 10.282 11.886 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 2.000 -4.288 -1.354 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 5.164 -3.040 -4.354 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 -4.463 -36.317 16.817 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 1.467 1.999 -1.928 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 2.773 6.846 -3.549 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 -0.260 -14.665 6.864 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 -4.966 1.075 -1.369 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 -15.955 7.096 -11.513 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 30.616 -4.760 -22.561 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 3.269 -4.628 0.779 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 8.491 -21.922 -16.156 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 -24.829 6.935 11.421 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 -2.261 0.734 -2.150 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 -6.928 -11.633 18.962 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 -2.183 6.934 -8.517 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 -5.021 3.643 3.166 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 -2.966 1.886 2.311 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 -9.160 7.465 6.136 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 1.039 -3.575 0.492 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 11.674 18.772 -0.095 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 19.931 4.365 -3.606 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 1.735 -1.731 -2.733 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 5.090 4.797 2.366 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 8.569 16.243 10.790 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 -2.131 -2.209 1.000 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 -2.016 2.194 4.647 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 11.082 -25.066 -13.496 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 -8.285 -7.284 -0.496 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 -2.018 12.771 -0.319 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 9.694 -6.700 -14.756 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 3.853 4.218 4.627 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 3.897 15.611 -1.421 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 -7.843 -0.033 4.677 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 -2.909 0.609 -1.872 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 8.060 -2.207 -1.094 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 -4.255 -1.750 6.132 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 0.372 -5.275 -0.381 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 9.486 5.732 6.893 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 -12.574 -5.872 8.822 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 -5.374 -10.640 -7.753 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 -16.784 11.218 23.742 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 13.060 -4.787 -18.153 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 -8.736 1.854 1.657 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 9.648 -0.753 -14.819 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 -17.649 -8.677 -7.227 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 2.729 -5.024 -2.353 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 21.290 -8.631 -9.976 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 -8.591 23.446 -6.355 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 2.237 -5.764 11.607 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 -4.285 4.542 1.371 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 25.516 -13.432 19.362 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 -0.511 -0.698 -3.105 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 6.373 -16.976 20.368 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 -10.120 10.263 -4.527 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 0.618 -0.817 -3.384 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 -12.953 -7.834 2.992 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 3.502 5.897 -13.007 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 4.301 8.572 -2.090 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 31.289 18.191 -10.039 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 -9.875 19.664 -9.311 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 -3.815 -0.841 -0.184 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 -3.088 -14.831 21.330 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 -5.760 2.901 -12.961 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 -3.269 -5.971 -4.574 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 6.399 -18.334 -9.164 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 -22.741 -3.404 -6.749 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 0.659 3.445 6.372 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 15.233 -4.845 3.547 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 4.297 10.194 6.992 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 -1.943 3.352 1.848 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 -9.228 -9.909 5.701 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 1.043 -1.298 -1.460 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 -2.258 -2.027 1.121 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 6.865 3.302 5.252 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 -15.879 -7.456 -16.157 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 -1.038 2.234 -4.412 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 5.465 4.464 -4.177 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 -1.769 -4.235 -5.501 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 6.506 1.141 -2.199 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 -4.275 24.378 0.151 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 18.533 20.020 -15.666 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 2.323 -2.984 -0.586 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 -12.949 -7.359 -1.481 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 -0.871 2.815 6.429 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 4.053 1.513 0.847 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 -2.586 -15.521 5.609 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 4.200 10.926 -5.615 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 3.644 -1.698 1.922 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 9.026 -3.143 -4.439 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 -1.157 3.878 6.890 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 -5.252 2.433 6.301 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 8.012 -0.625 1.613 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 -3.698 -3.120 14.304 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 6.206 -2.175 2.372 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 14.744 -8.808 -11.303 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 10.404 -17.096 20.730 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 -2.977 4.129 5.395 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 -1.724 0.930 17.564 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 -15.439 -10.191 -31.363 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 -6.314 -2.285 4.299 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 -8.852 -7.058 7.833 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 -17.160 -12.054 -1.029 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 -0.640 -3.154 1.679 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 -6.357 0.890 3.089 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 17.561 -16.128 -4.228 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 5.206 -10.284 1.910 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 -1.616 -9.798 0.038 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 5.735 -11.404 1.219 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 -3.247 8.605 -1.007 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 -5.892 7.949 -0.398 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 8.509 16.602 -0.557 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 -6.504 8.639 -4.596 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 -13.784 2.266 -2.137 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 2.988 8.433 -3.319 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 2.469 0.148 1.596 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 -22.489 -2.380 -2.071 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 12.067 23.057 -17.272 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 2.397 -4.172 1.497 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 0.173 6.920 3.021 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 11.987 5.015 -12.238 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 -4.406 1.938 -0.212 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 -6.545 4.689 -3.475 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 -4.667 2.034 2.737 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 -4.319 -3.937 -5.981 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 2.167 2.541 -12.578 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 4.780 -4.005 -20.336 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 -5.029 0.105 -0.808 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 2.245 -0.793 0.282 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 -0.645 17.958 11.512 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 -0.485 -1.060 -2.210 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 -15.210 2.545 -17.275 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 6.260 4.842 -9.591 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 2.793 0.683 0.807 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 -5.410 -9.901 25.624 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 13.452 26.348 7.865 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 -0.638 -0.269 0.625 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 -4.248 15.219 14.896 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 1.292 13.966 -1.258 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 -3.603 4.783 1.642 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 -23.542 -5.342 14.942 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 -25.037 -4.368 -27.179 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 3.890 3.835 2.298 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 -18.877 6.931 19.320 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 -1.455 -19.204 14.263 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 -0.319 3.935 -3.222 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 -6.915 -1.333 -8.874 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 -1.819 6.155 16.362 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 -2.772 -2.665 -3.427 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 1.164 -7.713 1.675 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 -7.854 -3.722 -3.858 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 0.287 3.527 -0.570 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 -24.461 -13.957 -20.174 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 -24.247 4.125 -10.034 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 -0.145 -1.141 -1.810 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 -20.220 32.223 -12.247 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 1.797 11.360 -0.942 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 5.150 0.566 -5.808 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 -21.076 20.026 -2.648 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 4.634 -10.818 -28.379 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 9.170 -1.490 0.643 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 0.154 13.493 10.156 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 4.749 7.040 9.474 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 -0.090 0.429 -7.449 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 -15.261 -8.916 6.778 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 -9.193 -0.851 6.034 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 -5.445 -0.663 3.055 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 -13.606 -9.854 -7.276 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 4.299 5.760 -9.320 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 1.505 -0.883 5.466 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 7.699 2.842 -3.454 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 10.749 -11.774 -0.585 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 3.937 3.948 -5.280 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 26.336 3.595 -9.944 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 1.320 -0.097 6.903 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 -3.948 5.179 1.885 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 -9.520 -5.837 -6.050 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 -12.059 6.566 13.430 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 -1.102 -1.160 -3.190 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 -10.854 -7.885 -6.823 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 17.113 -11.685 4.408 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 -5.615 2.897 3.922 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 -17.264 44.983 2.057 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 19.768 -11.869 7.034 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 3.926 1.423 -1.390 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 -0.769 -1.510 -11.242 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 5.423 12.960 9.725 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 1.136 0.688 -4.883 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 -1.483 -9.271 -1.175 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 -2.134 7.372 2.312 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 1.452 4.964 2.531 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 6.319 12.930 -7.773 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 1.426 -0.650 -16.036 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 5.096 -1.180 1.199 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 15.867 6.252 12.255 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 14.309 17.404 14.639 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 -3.907 -5.968 10.501 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 -0.553 7.564 5.690 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 -11.332 -6.668 -23.410 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 1.103 -5.761 3.104 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 4.956 -0.555 -15.099 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 12.986 2.912 10.422 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 -3.598 -4.409 -0.036 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 30.401 15.295 -8.963 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 -15.672 -18.569 0.745 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 -1.244 0.068 -2.028 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 -6.448 -7.335 7.381 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 -0.137 -9.316 12.591 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 -7.999 2.422 2.307 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 4.195 19.877 -5.183 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 -5.044 -7.349 -9.592 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 -5.225 3.711 -3.415 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 -7.403 11.926 1.340 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 -6.235 12.571 -13.221 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 1.244 -5.983 3.299 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 -17.580 -2.154 -7.102 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 3.951 7.978 14.607 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 6.990 -0.789 0.955 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 4.797 2.000 8.357 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 40.139 -9.460 4.751 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 3.663 1.284 0.496 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 0.943 -2.283 27.851 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 4.643 16.888 0.893 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 -2.120 3.870 -0.390 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 -17.029 13.302 -8.440 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 -14.128 -13.474 2.219 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 5.675 6.250 -2.208 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 3.550 8.316 0.610 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 -5.962 7.244 6.160 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 8.036 3.038 -1.866 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 8.214 1.674 -13.697 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 6.106 -14.898 17.987 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 -0.415 1.494 5.776 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 4.834 1.026 3.408 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 -1.504 10.727 4.478 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 8.063 -1.944 -0.151 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 8.537 16.427 12.440 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 8.643 -8.606 -4.237 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 0.540 1.786 3.688 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 -6.266 4.517 5.203 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 30.114 11.563 10.383 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 -1.553 4.855 2.102 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 -3.411 10.150 10.761 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 3.622 -10.302 -19.593 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 -2.958 -6.488 1.732 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 17.737 -5.476 -13.155 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 -14.638 13.253 7.305 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 0.059 -0.601 1.750 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 -13.256 -23.716 0.024 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 -3.007 -16.079 29.477 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 2.747 3.124 -5.335 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 -3.538 -4.361 -3.773 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 -13.089 -18.487 0.465 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 1.909 0.838 -2.103 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 10.178 13.996 2.899 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 7.177 4.792 -5.875 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 -5.333 8.542 9.067 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 6.745 -1.223 -8.202 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 -3.649 -18.536 17.545 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 -0.670 -2.604 -3.433 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 -15.649 -4.768 -20.722 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 -5.877 -8.974 14.223 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 -4.682 -1.728 6.442 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 -6.946 -13.390 1.930 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 -6.517 -0.718 4.133 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 0.471 -5.578 0.479 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 -12.351 3.042 19.293 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 17.675 0.114 6.796 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 2.642 1.392 0.754 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 -0.133 -2.306 -9.441 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 8.526 4.884 6.633 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 1.812 0.356 -3.548 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 13.289 -0.851 12.698 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 -20.337 -3.583 -18.807 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 -0.829 1.665 2.472 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 -5.477 -0.587 -7.182 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 -6.425 5.355 6.422 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 -3.495 2.136 5.734 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 -5.539 -8.148 -2.506 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 -1.785 2.403 10.999 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 3.702 -4.411 4.701 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 -24.872 10.568 12.117 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 8.585 -16.238 1.330 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 -6.735 6.281 -5.076 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 11.578 4.262 -19.770 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 2.828 -12.973 6.604 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 1.366 -0.564 2.347 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 -5.048 -8.588 7.405 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 -3.019 -7.864 6.039 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 -9.031 9.733 0.629 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 3.231 18.261 -2.653 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 -7.305 4.926 -20.741 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 -3.072 -2.905 -1.123 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 -19.849 -3.748 8.922 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 -12.688 -11.152 -2.348 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 0.545 2.287 3.302 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 11.186 3.676 31.700 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 -8.565 0.039 -7.160 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 1.649 2.906 0.192 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 -3.271 -12.494 4.669 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 -2.849 -14.599 4.665 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 -9.772 3.919 1.375 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 -15.838 7.786 -2.011 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 4.084 6.511 0.706 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 -3.082 -2.522 -4.183 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 1.133 -4.034 -8.465 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 -3.727 1.051 -2.814 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 3.927 3.850 -5.440 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 9.001 -24.423 -31.768 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 22.335 -13.701 17.131 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 10.219 1.539 -1.465 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 -2.078 13.947 -6.873 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 27.501 -2.612 -4.437 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 -3.286 -3.786 4.171 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 13.966 -8.656 0.343 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 28.462 -17.621 9.410 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 -3.893 1.287 3.215 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 -7.277 7.373 1.266 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 1.812 -5.374 8.698 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 8.428 0.377 1.401 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 -2.279 10.458 -5.578 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 2.546 -8.813 4.003 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 1.851 2.186 3.540 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 -17.953 -0.213 -8.983 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 10.549 -4.635 0.112 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 -0.480 5.099 1.687 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 3.061 -9.362 -2.122 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 9.220 -7.217 0.146 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 1.523 -4.555 -3.135 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 14.166 0.514 -1.710 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 -3.913 -2.003 -4.294 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 3.334 0.796 -5.979 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 -6.941 6.119 -16.186 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 -12.623 12.845 -11.156 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 2.238 -0.674 3.479 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 -9.544 -16.566 -7.312 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 3.106 -4.633 16.727 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 -1.622 4.375 -1.495 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 -8.359 -9.592 3.187 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 29.472 30.109 17.477 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 5.332 -5.667 0.795 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 24.696 4.372 4.442 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 14.245 -8.550 -16.834 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 0.685 -4.698 2.694 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 1.909 1.171 14.488 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 3.227 -3.325 10.742 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 -10.252 0.627 -0.263 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 -5.473 11.257 4.365 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 -8.339 9.782 0.860 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 -0.328 0.106 -0.485 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 2.200 -14.900 -0.291 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 4.082 12.813 -16.023 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 -3.389 -8.017 -8.640 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 -1.235 -5.086 -3.844 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 0.928 -2.657 -8.007 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 -0.248 -0.091 -4.446 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 2.212 -2.309 -3.029 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 0.363 6.167 -8.737 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 -0.009 -2.153 -3.022 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 -11.782 -14.960 10.062 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 13.706 1.931 2.904 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 -2.393 -1.131 1.531 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 -0.514 21.591 16.661 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 0.695 6.419 -21.742 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 -2.484 0.477 5.835 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 -3.909 -5.306 5.805 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 -4.978 -7.796 5.815 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 0.556 0.933 -1.000 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 -0.672 -21.997 -9.291 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 22.505 6.948 -2.392 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 -1.332 -2.615 -5.296 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 13.470 -11.055 29.597 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 -14.009 6.908 17.038 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 -4.361 -1.183 -1.456 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 21.492 -19.780 -2.157 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 -3.484 -18.489 -19.919 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 -2.588 -4.774 -1.304 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 -19.394 -3.963 -0.941 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 23.511 -6.074 -2.265 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 -2.966 -2.512 -5.783 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 -2.749 13.392 -7.703 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 1.568 14.539 -6.099 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 4.065 -1.065 0.028 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 20.723 0.005 11.299 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 -10.378 11.824 3.750 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 -0.070 9.215 -5.348 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 -0.382 -1.875 -7.312 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 -13.966 15.197 -7.579 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 0.482 3.014 -4.822 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 -32.548 8.056 -15.144 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 2.326 -3.651 12.283 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 2.258 1.221 2.471 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 2.493 4.228 13.518 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 -6.096 -2.617 -0.201 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 3.193 -1.134 -0.155 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 4.635 0.940 -3.870 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 1.114 4.875 -14.194 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 -6.347 3.161 3.686 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 -12.447 17.820 -4.759 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 -1.168 26.127 0.551 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 -3.252 1.630 -1.966 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 -10.080 -6.730 -11.842 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 -14.146 4.690 -16.444 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 7.186 4.022 -3.840 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 -7.349 11.022 14.999 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 27.934 -5.107 13.152 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 -1.356 -7.064 3.220 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 11.732 -21.046 39.209 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 11.655 -5.426 -9.992 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 -0.234 0.989 -3.651 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 1.523 5.659 -15.958 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 15.146 4.586 -27.260 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 -0.193 -4.321 -0.931 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 -15.058 6.378 -0.963 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 -4.413 -8.052 1.045 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 -1.631 0.947 -3.552 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 -1.099 -5.549 2.930 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 -6.180 7.881 -12.978 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 -1.100 -1.616 -0.443 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 -5.526 -0.419 -0.501 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 8.160 -6.523 -3.072 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 -9.017 -4.795 1.456 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 -13.204 3.094 -0.645 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 -9.470 4.517 -15.692 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 -9.965 -4.365 1.616 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 -14.816 1.052 -5.169 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 -10.391 -22.888 -30.269 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 6.172 7.859 3.859 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 5.509 2.107 5.287 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 5.771 -9.929 0.688 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 10.867 10.040 -3.032 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 13.480 8.464 -0.118 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 15.900 8.309 -0.159 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 -1.513 2.793 8.106 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 -5.047 9.133 4.218 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 -2.097 2.492 7.429 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 1.616 -1.969 -1.968 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 -0.877 3.683 -5.794 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 -14.500 -3.372 3.122 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 -2.412 -0.113 6.279 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 28.771 3.844 18.226 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 4.097 -21.790 -1.755 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 4.438 2.710 -2.880 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 -4.233 -2.008 13.793 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 12.627 -20.651 22.873 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 -3.189 -0.068 -4.476 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 -8.252 1.787 -1.323 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 -8.273 -0.047 4.575 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 -2.530 -1.511 0.017 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 -13.669 10.282 2.387 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 -8.209 0.892 -1.364 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 -2.728 -3.915 4.064 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 12.343 -7.213 26.021 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 -0.905 -0.291 6.208 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 -0.733 3.859 -0.763 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 -1.514 6.149 0.396 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 0.699 -1.183 4.266 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 -6.504 4.611 -0.134 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 -17.772 -7.657 -16.270 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 0.375 -12.123 12.145 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 7.492 -3.770 5.712 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 -15.587 -17.697 15.630 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 3.876 -5.315 3.117 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 3.513 -2.249 5.586 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 2.730 1.030 9.553 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 0.964 0.997 -7.941 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 -4.721 -12.685 -9.345 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 -4.987 6.243 -9.548 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 6.717 -6.612 -2.442 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 3.436 2.030 0.436 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 0.202 1.715 -12.981 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 15.033 -6.149 5.124 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 2.554 -2.782 -0.943 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 6.094 -0.584 5.891 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 26.078 9.532 3.920 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 4.023 -4.065 -3.105 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 -4.176 -0.365 5.064 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 10.318 12.531 -6.003 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 3.688 -1.398 0.831 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 -4.550 -0.947 22.397 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 -9.081 13.998 -9.124 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 -1.307 -1.584 0.900 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 -16.135 -20.544 -3.035 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 -6.257 -14.288 -16.861 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 5.035 -4.137 -4.796 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 15.004 -5.897 6.390 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 3.779 -5.471 -10.563 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 4.164 4.050 -0.664 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 1.378 -17.129 20.215 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 4.588 12.351 -5.828 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 1.951 0.545 2.540 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 3.711 -1.132 -0.520 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 4.041 -2.106 1.422 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 2.051 -2.333 3.168 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 16.522 -32.796 5.067 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 -1.207 3.513 3.096 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 2.531 -0.509 -5.497 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 -4.479 6.060 22.830 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 1.720 29.896 -16.984 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 -0.436 -3.811 -2.975 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 9.351 11.588 9.716 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 -4.559 2.853 -12.729 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 -1.756 2.248 2.676 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 -4.756 -6.241 0.324 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 -3.497 -1.643 1.710 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 -5.063 6.130 -8.373 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 -4.493 7.588 -18.088 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 -7.660 -3.466 -7.301 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 -3.127 -0.301 0.771 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 -9.190 1.939 -2.717 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 5.896 12.978 7.827 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 3.242 -4.723 1.122 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 6.735 -5.523 6.261 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 -9.593 -14.988 -14.380 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 -4.774 2.601 -1.845 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 3.778 30.441 -12.413 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 -10.082 4.731 -22.266 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 -2.490 4.487 -2.116 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 -2.779 4.876 16.617 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 -10.862 11.682 -31.844 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 1.866 0.694 -5.912 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 -1.466 -4.582 -44.511 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 8.869 -22.020 -3.561 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 1.940 3.657 2.181 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 -13.245 14.782 -3.071 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 -15.543 9.120 0.923 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 0.167 2.660 1.896 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 10.779 23.017 -10.002 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 9.183 -9.099 -7.090 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 7.734 -3.798 -4.518 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 -7.190 -2.814 -5.707 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 -8.008 -12.567 -4.471 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 1.258 1.953 -2.894 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 -2.559 6.791 -6.140 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 9.694 -6.591 -4.072 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 0.373 -0.115 1.310 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 -18.855 8.402 17.333 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 -5.766 10.663 -5.487 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 0.371 4.248 1.633 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 1.467 1.435 -9.239 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 8.602 -16.294 4.391 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 0.135 -4.000 3.513 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 -8.508 -10.325 3.486 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 2.652 0.855 12.719 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 -7.155 2.911 0.790 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 -0.511 -26.001 -8.309 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 14.287 -6.465 13.012 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 -3.847 1.144 1.574 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 14.632 11.358 1.952 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 -16.591 -5.570 5.417 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 2.581 -3.092 1.889 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 -10.760 7.992 -8.760 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 4.659 -4.274 3.804 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 -0.879 6.499 2.902 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 12.422 13.043 1.904 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 8.769 6.186 -5.099 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 -2.001 3.264 2.898 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 -21.216 19.673 19.154 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 -0.569 -39.786 16.359 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 -4.375 1.589 -0.391 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 -9.159 12.939 6.213 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 -21.403 2.417 -7.810 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 -1.757 3.668 -4.964 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 -19.630 1.128 10.652 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 10.598 -3.253 12.027 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 -1.719 1.619 -6.867 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 35.339 -13.686 10.264 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 -18.337 14.199 -4.565 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 1.930 8.649 7.178 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 -11.958 24.625 -7.931 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 8.257 -10.507 -8.678 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 -2.561 5.161 5.055 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 13.106 -17.065 -13.601 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 -6.410 9.856 8.356 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 4.670 -1.174 0.199 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 -26.001 28.966 -21.868 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 5.148 11.034 -7.296 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 2.258 -1.183 -4.121 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 2.457 2.871 9.728 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 -31.306 -0.461 -8.475 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 5.036 -1.537 0.446 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 18.575 8.236 1.505 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 -4.175 27.474 19.040 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 9.164 -0.840 5.299 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 2.846 -1.475 0.056 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 0.225 -3.698 -6.552 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 -2.927 4.991 -4.223 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 -34.954 8.942 -9.688 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 11.452 19.903 -10.499 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 3.879 1.161 -2.092 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 -2.417 -25.976 9.551 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 7.550 -6.391 -3.053 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 1.857 3.169 -8.840 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 22.472 15.646 -9.582 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 -20.417 1.684 -3.840 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 1.221 -3.742 2.700 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 -17.401 -3.495 -0.887 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 -4.872 11.902 -7.526 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 3.644 -3.863 -0.819 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 -4.071 -2.404 7.005 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 12.259 -8.340 0.808 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 -0.199 -5.573 -5.001 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 0.437 -16.180 14.099 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 -8.707 -10.585 8.812 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 0.822 -1.881 0.256 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 0.799 16.436 10.181 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 -0.197 -1.544 1.808 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 -0.273 -4.235 -0.367 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 5.130 -9.372 -9.978 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 -6.478 19.522 -18.220 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 4.238 -0.866 0.416 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 2.044 2.105 2.186 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 5.436 -10.006 -2.833 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 1.332 -6.340 5.673 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 -5.418 -5.993 -1.143 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 8.469 5.620 16.283 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 -1.081 -4.970 5.974 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 -1.284 7.296 -3.668 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 -4.141 -10.139 5.173 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 6.544 -2.913 1.862 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 -4.616 -23.376 16.082 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 8.521 6.922 -25.452 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 -1.360 -2.671 -5.659 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 8.660 -1.584 15.668 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 1.266 8.955 -4.329 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 -0.056 4.008 1.430 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 -2.691 7.122 -6.055 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 -2.068 15.282 -9.995 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 1.841 -7.615 3.498 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 12.381 -16.376 9.001 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 -1.323 -7.387 1.765 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 2.451 0.135 1.512 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 -18.031 -15.398 -14.594 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 -20.683 -6.726 7.928 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 -4.112 1.265 -5.746 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 -4.402 13.730 9.781 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 -7.532 -19.668 2.083 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 -1.876 4.164 5.543 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 10.923 13.565 -9.288 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 -18.236 -7.173 -10.874 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 -6.696 -0.021 -3.068 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 -14.733 -36.529 -3.566 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 -10.895 -8.720 -3.489 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 5.430 -10.930 -2.141 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 -4.981 -17.996 -5.783 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 9.617 -7.857 11.325 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 0.162 -7.255 -8.778 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 -4.789 -21.387 -14.824 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 -7.142 -31.133 -13.952 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 0.287 0.806 1.464 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 -6.813 -2.569 -4.288 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 6.304 4.837 -10.008 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 5.440 0.145 -4.177 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 -1.943 -0.305 -1.789 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 4.083 0.224 0.421 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 0.496 4.951 3.616 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 -4.332 4.089 10.259 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 9.774 10.131 -4.185 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 -0.891 -5.293 -0.741 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 9.835 -5.561 -5.162 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 17.361 0.736 -11.194 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 4.933 2.229 -9.590 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 -7.665 -3.969 9.203 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 9.201 9.137 9.778 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 -1.253 2.015 -2.011 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 13.692 3.051 4.325 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 0.759 -5.032 -19.193 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 4.257 -1.700 2.630 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 0.389 -27.971 -8.469 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 -5.970 -8.085 -6.876 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 -2.103 0.232 1.914 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 6.984 -5.963 7.080 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 12.273 -1.393 16.612 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 -0.338 1.026 -0.089 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 14.390 14.259 -0.192 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 -17.806 7.326 7.129 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 5.804 4.463 -2.881 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 -3.852 -1.199 3.487 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 0.785 -10.873 -13.248 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 -2.785 -3.927 -1.392 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 4.430 -1.891 7.214 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 0.716 7.199 10.101 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 -1.121 3.941 1.262 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 -14.844 0.868 6.841 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 -2.769 9.696 10.979 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 5.390 12.419 6.366 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 -29.432 14.079 10.629 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 10.165 -15.358 -14.128 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 -9.806 -1.774 0.938 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 4.037 13.761 9.590 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 -3.201 10.675 -0.219 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 -3.709 8.921 -3.078 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 17.043 23.715 6.156 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 -9.320 20.653 4.420 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 -2.554 -1.930 -3.979 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 -6.506 -0.937 1.036 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 14.631 -27.975 -5.137 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 -5.980 0.341 -4.121 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 0.294 1.614 3.164 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 -18.192 0.061 -5.731 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 -3.538 4.478 5.671 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 4.401 -0.215 -2.268 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 4.579 0.222 -2.232 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 -1.109 -8.156 6.840 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 -12.325 -11.039 -29.280 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 -7.155 -10.932 7.361 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 3.140 -1.842 4.783 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 -3.305 -3.073 8.437 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 9.772 -3.273 3.098 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 -1.116 -1.946 -3.981 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 -4.569 0.045 -11.126 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 9.675 -7.301 -9.106 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 -1.858 1.722 0.050 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 -9.889 4.593 2.181 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 -5.217 1.882 -6.242 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 0.020 -0.860 -6.450 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 4.708 -1.212 -6.235 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 4.549 -4.968 2.771 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 -3.471 -4.886 -1.187 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 -7.655 1.926 -2.537 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 1.596 -8.801 3.517 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 0.735 3.159 -1.407 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 9.866 -8.342 -0.847 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 3.243 3.247 -14.653 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 4.721 -6.181 9.476 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 12.642 -9.890 33.179 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 3.517 10.114 -18.992 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 -1.994 3.727 2.212 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 3.656 -15.693 12.374 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 -4.680 27.103 -4.197 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 -7.967 -0.469 5.383 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 -3.637 -6.440 5.608 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 -1.062 -3.921 10.183 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 -1.290 0.672 1.312 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 -4.916 1.215 6.650 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 19.602 25.356 9.581 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 -0.896 2.092 -1.335 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 -3.866 -9.488 6.417 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 0.179 21.239 7.549 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 4.709 -4.928 -0.826 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 -12.506 -5.458 -12.182 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 2.281 -19.308 10.875 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 1.727 -7.443 -4.210 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 -33.856 27.754 -8.992 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 2.362 0.804 -20.265 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 -2.762 0.129 4.595 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 -3.086 -4.586 22.595 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 -10.045 4.339 -17.019 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 -9.583 6.996 -1.618 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 -7.272 26.676 -7.787 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 9.727 0.619 1.618 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 -4.883 -3.273 1.873 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 4.112 5.365 -0.473 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 -15.727 7.559 -2.567 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 3.339 -2.783 9.000 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 3.668 -15.874 12.208 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 7.150 11.933 -17.948 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 -5.178 2.941 5.244 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 -6.729 0.867 13.285 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 0.512 22.204 -6.956 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 1.650 -9.408 -1.211 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 -6.758 1.991 -0.318 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 10.358 -20.825 -1.410 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 -6.910 -2.205 -1.504 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 13.968 -11.333 6.176 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 -11.948 -7.664 2.425 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 4.611 1.881 1.890 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 -7.619 -12.737 -1.608 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 22.377 -3.944 -0.738 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 1.502 -5.069 -1.970 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 5.983 7.299 0.648 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 14.299 -2.971 4.488 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 0.901 -3.193 -3.563 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 -15.114 6.059 -14.601 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 -5.231 -2.166 17.639 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 -3.282 -3.377 -1.447 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 -11.016 -11.730 -5.816 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 -4.289 1.336 5.671 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 1.456 6.170 -6.479 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 5.421 7.229 -5.352 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 3.026 5.093 -5.193 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 -3.588 2.161 -1.716 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 -7.800 2.748 8.239 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 -0.487 5.857 0.495 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 -0.142 -1.696 -2.918 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 -0.485 3.610 -0.164 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 -1.590 -8.324 -8.775 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 -2.353 6.314 -7.771 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 -1.742 15.041 0.438 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 -16.616 -2.984 1.722 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 0.783 0.170 -4.050 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 -1.878 -1.251 -2.619 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 -14.446 -9.433 4.884 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 -2.723 -4.664 0.772 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 -11.272 -11.258 -8.237 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 -6.568 -6.695 10.077 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 -1.149 -2.550 1.139 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 2.000 9.065 12.928 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 15.430 11.309 4.881 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 6.555 -2.266 -3.500 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 10.111 -11.841 -12.755 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 -14.179 -3.736 14.912 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 1.940 0.037 4.828 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 6.119 19.864 -4.016 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 7.067 26.003 -3.425 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 3.208 5.120 1.552 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 9.083 -0.918 -18.784 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -17.535 -8.491 8.243 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 0.010 4.558 3.541 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 -2.551 -0.323 8.480 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 -24.854 -12.772 -8.330 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 -6.747 1.867 2.240 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 28.962 7.699 12.141 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 15.811 -13.435 7.713 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 1.516 1.778 -2.242 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 17.105 6.662 3.723 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 -4.984 -7.819 11.640 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 4.427 -4.758 3.423 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 8.807 -10.536 12.710 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 36.406 6.536 -11.481 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 3.061 2.844 0.145 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 4.058 -7.106 2.208 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 -2.124 -3.827 -1.190 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 -4.412 0.333 -0.888 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 12.660 11.968 20.228 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 11.222 12.736 31.360 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 -1.740 -0.897 0.775 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 1.355 -1.749 -2.254 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 -2.706 9.645 5.587 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 -1.520 1.830 4.657 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 -0.528 13.042 2.052 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 -4.729 8.586 14.696 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 -7.492 -1.835 1.374 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 -1.108 -1.113 -1.513 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 6.543 10.277 -10.985 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 -0.330 -6.224 -4.851 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 -1.428 -12.987 7.204 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 -4.113 -12.915 8.337 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 -0.018 -0.721 -4.020 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 9.968 -4.288 -19.510 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 -1.054 -1.846 -5.216 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 -0.197 -0.570 3.698 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 -1.483 -4.537 7.636 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 -0.670 -0.171 5.049 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 -6.192 3.052 0.343 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 -8.098 2.175 9.714 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 -4.520 7.154 15.525 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 -2.366 -1.384 -4.386 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 -15.772 -11.888 4.981 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 13.022 -10.597 -20.708 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 -2.829 2.190 -3.410 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 -2.530 -5.821 9.705 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 2.095 3.715 -9.937 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 3.052 -1.468 -3.970 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 14.373 -0.079 -1.170 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 -17.891 -7.252 -14.600 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 -4.407 6.920 -5.513 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 21.787 -2.139 -17.563 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 -13.286 30.079 5.669 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 5.246 -4.355 4.728 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 9.624 -7.365 4.873 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 -0.700 -2.833 30.261 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 -0.774 1.247 7.338 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 5.448 -12.669 -21.345 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 -6.886 15.448 22.842 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 -0.210 0.542 -0.825 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 -9.881 7.129 -0.153 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 10.161 11.288 9.078 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 -3.745 5.817 2.488 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 -7.067 3.162 -2.907 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 7.541 2.254 18.380 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 4.088 -0.128 1.454 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 -2.629 14.365 -4.791 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 5.442 -3.633 -1.795 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 -1.963 -5.455 0.369 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 11.016 10.125 -9.875 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 -25.338 6.587 -10.156 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 -0.872 2.439 -3.955 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 -28.161 11.463 -32.948 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 16.650 35.459 2.127 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 0.027 8.486 -7.915 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 -37.963 24.877 -18.237 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 -1.626 4.444 9.843 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 -4.759 -2.535 2.168 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 0.596 -9.611 11.064 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 -8.266 10.961 -3.598 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 5.005 7.305 1.391 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 3.714 -14.508 8.468 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 2.937 -7.689 25.737 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 1.987 3.936 2.348 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 -1.943 12.453 -12.991 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 4.220 13.142 11.856 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 -5.003 3.072 -2.095 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 -3.116 0.889 0.772 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 -3.013 2.409 1.251 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 -0.095 -0.586 -4.285 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 15.855 -10.828 18.578 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 -12.404 3.974 -23.185 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 3.656 3.078 -2.663 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 17.515 17.039 17.944 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 -2.507 2.998 -6.810 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 -3.955 -0.975 -3.080 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 -2.973 1.804 2.509 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 -15.260 4.645 6.775 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 -1.953 1.308 2.603 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 -2.997 -7.931 14.772 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 7.427 8.753 8.041 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 1.168 -1.896 4.172 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 1.382 -5.216 21.484 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 6.214 9.326 -5.955 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 0.357 3.015 2.210 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 -18.595 -3.105 0.273 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 -10.281 18.513 -4.225 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 4.691 -0.515 2.997 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 12.336 13.316 10.472 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 -2.734 4.836 -3.026 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 0.047 0.671 1.794 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 -9.933 -20.921 1.829 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 -20.915 -9.005 18.870 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 1.803 -1.281 -1.625 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 3.958 -15.553 -3.542 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 -8.371 -8.413 -1.821 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 3.421 -3.902 7.262 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 -23.622 6.300 2.152 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 16.389 -16.892 -16.703 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 -0.328 1.066 -1.025 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 4.920 -15.424 -0.548 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 -3.004 5.285 -4.590 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 -2.497 0.266 -0.459 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 6.772 -34.175 12.931 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 -11.491 -29.348 -7.996 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 2.789 -1.226 2.093 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 8.467 -3.211 11.415 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 -1.205 -3.780 -5.760 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 0.638 -2.364 -1.885 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 -16.702 14.182 -0.853 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 -5.256 -5.019 -1.091 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 -1.780 -3.923 -5.974 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 -21.792 -1.895 11.348 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 2.180 22.839 -12.902 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 -2.230 3.243 -5.819 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 11.654 -7.882 11.055 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 -18.289 -7.544 -13.632 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 5.599 1.681 0.908 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 -0.008 11.817 10.513 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 11.549 5.209 -7.845 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 -3.145 -2.404 2.069 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 -4.123 13.982 4.953 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 -6.264 24.257 12.276 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 5.878 1.666 -0.149 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 15.140 10.205 14.991 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 13.947 16.249 9.533 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 2.734 -1.612 -0.874 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 -14.298 -24.869 0.847 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 10.298 -20.678 -10.232 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 3.038 2.373 4.201 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 7.593 2.065 -2.091 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 -5.606 -0.348 11.269 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 -3.314 5.735 -4.694 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 -11.998 13.423 -16.338 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 11.114 6.976 8.723 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 5.590 -5.158 0.957 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 11.156 -3.274 0.545 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 24.228 -4.971 9.342 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 9.731 -3.134 -0.779 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 -1.846 -10.264 -14.180 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 11.880 0.178 8.117 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 -2.149 1.688 -1.140 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 4.633 5.412 -4.748 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 1.441 -2.111 -7.867 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 2.856 -1.894 -3.431 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 15.019 -1.879 -22.633 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 -12.766 -12.056 -7.514 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 -2.405 2.289 -0.250 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 16.671 -6.144 -2.743 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 7.247 -9.275 -0.134 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 -3.669 6.617 -0.605 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 14.141 -5.624 -5.594 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 -3.479 19.767 -0.433 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 -0.230 5.383 2.700 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 -8.179 -10.974 5.768 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 -9.099 12.960 -6.295 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 0.500 2.286 1.779 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 -0.353 -9.229 13.766 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 17.641 6.806 1.586 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 0.372 -6.702 0.934 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 -19.730 -8.679 30.284 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 -13.609 -9.572 -43.481 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 5.431 -0.023 1.614 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 15.777 -7.239 31.520 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 8.322 -2.450 17.175 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 -2.768 4.888 -0.852 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 -16.880 12.000 -3.362 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 7.711 -4.692 5.237 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 0.004 -2.898 -3.292 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 6.496 8.466 -7.546 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 -3.124 27.256 16.161 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 -2.910 3.742 -3.291 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 -17.256 -2.895 2.107 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 10.355 -1.490 -3.885 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 -0.541 -5.958 2.728 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 5.741 -8.942 26.502 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 25.159 -9.002 30.100 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 2.301 -2.990 -0.425 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 4.707 -1.981 -10.172 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 7.172 -13.127 22.340 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 -12.148 5.390 0.521 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 -19.799 29.232 -24.244 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 -0.055 14.113 -16.280 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 4.115 3.231 -1.722 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 -3.240 5.455 -10.289 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 11.780 -0.147 4.561 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 -3.058 -4.060 -2.990 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 6.275 -8.783 2.056 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 -12.395 -6.619 -11.280 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 -4.222 2.719 -7.120 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 4.700 1.791 0.749 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 -3.863 -8.888 4.741 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 0.396 0.453 1.696 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 -20.923 17.182 -6.784 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 -2.443 -10.034 27.339 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 -4.656 5.062 1.346 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 17.658 11.309 1.033 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 -9.184 -3.581 15.685 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 7.676 -3.021 2.426 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 5.531 -4.778 -23.802 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 -16.382 5.120 7.628 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 8.286 3.900 -2.782 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 6.368 42.404 -12.499 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 19.766 -0.734 30.607 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 -3.415 -1.458 -1.342 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 -10.695 -1.594 5.729 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 -6.809 -6.947 -9.693 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 -1.670 -3.428 4.439 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 -4.079 -10.134 -17.618 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 -13.028 -20.657 13.939 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 -2.614 2.321 4.574 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 -17.079 -10.248 -7.217 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 -14.281 -8.871 36.616 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 -5.853 0.395 -1.584 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 4.320 -15.405 11.645 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 -22.186 18.975 -5.942 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 -2.733 -1.253 0.238 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 1.365 -16.549 -25.417 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 3.072 -6.047 1.966 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 3.196 -1.037 1.695 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 15.626 -3.786 -12.909 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 -5.029 1.149 -5.204 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 4.593 1.299 -0.879 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 -8.075 0.681 3.775 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 18.193 -3.053 6.348 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 -2.721 3.501 -1.596 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 -1.595 -4.931 2.712 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 -2.990 3.516 -1.624 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 -0.696 1.570 -6.577 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 0.723 1.908 -16.669 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 -15.759 -4.482 5.588 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 -7.064 -2.787 1.221 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 -9.638 -7.295 8.029 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 -27.441 11.734 38.513 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 -0.877 -1.647 -3.584 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 0.505 5.614 9.472 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 -9.198 -13.288 -3.961 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 4.902 6.200 -3.821 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 -12.774 4.201 0.149 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 4.292 35.955 -6.947 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 -0.036 -1.398 1.055 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 1.218 -4.253 -4.050 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 2.451 1.899 11.852 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 -2.797 6.187 9.324 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 -0.711 17.069 9.324 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 -12.129 8.178 28.228 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 -1.071 3.343 -1.906 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 -10.803 -2.351 -3.656 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 29.727 -2.567 17.783 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 -3.108 2.291 -3.429 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 2.407 -20.180 -1.320 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 -5.463 -9.174 -10.139 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 -1.744 6.434 3.710 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 1.529 1.837 6.445 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 3.361 12.335 8.100 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 0.303 0.040 -6.487 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 -27.086 3.150 -8.552 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 6.253 -22.612 1.136 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 -1.445 0.502 -2.422 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 -6.977 -3.621 -8.592 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 -11.007 -8.482 -14.568 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 0.248 -3.717 3.782 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 9.219 5.219 -5.912 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 -7.864 8.257 2.015 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 2.878 -6.865 -0.423 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 17.563 -4.980 18.076 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 -12.696 -18.780 -14.061 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 -0.049 4.180 -2.647 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 -1.512 -14.307 -13.027 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 -9.938 1.758 6.862 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 -2.448 3.730 -4.396 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 -10.162 19.438 14.576 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 24.608 1.396 -1.320 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 -7.339 2.723 2.895 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 5.587 1.338 24.372 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 -1.733 -22.303 -6.974 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 -1.955 6.234 0.470 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 -2.137 4.852 -1.208 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 0.702 -0.367 13.250 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 5.117 9.881 2.417 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 18.250 -23.367 25.785 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 11.208 -4.365 12.028 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 -4.374 -3.715 1.381 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 21.288 -27.503 -15.298 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 -14.647 7.929 6.658 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 -8.503 0.749 3.091 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 -3.335 32.180 -4.352 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 1.918 -10.951 4.213 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 -0.048 1.989 -2.814 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 -6.111 -0.402 1.177 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 1.233 2.912 -2.874 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 -9.632 2.733 0.695 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 -0.261 -13.244 28.180 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 19.591 -17.110 0.095 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 3.761 4.987 1.933 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 -5.313 -21.245 -10.529 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 -5.718 -28.499 -33.543 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 1.915 4.080 7.083 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 -32.177 4.279 -9.221 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 1.849 29.212 14.141 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 -1.163 -4.372 -3.440 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 -11.030 -9.665 -12.047 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 -9.597 2.269 -8.215 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 0.031 5.750 0.682 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 -13.559 -2.529 8.827 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 10.722 17.823 4.720 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 -1.676 -1.890 3.304 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 -6.968 -15.237 -20.953 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 24.615 3.228 -14.105 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 1.154 -2.848 -2.535 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 0.209 5.684 -4.700 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 2.279 -5.159 -1.875 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 3.225 -3.250 -0.751 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 -6.285 5.719 2.091 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 -1.949 9.784 7.274 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 4.866 -2.879 4.324 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 21.175 0.656 -3.542 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 9.520 -0.892 -2.395 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 -4.048 6.082 2.695 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 -7.714 -0.051 -3.291 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 6.572 19.328 16.658 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 4.490 2.815 3.297 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 15.455 -0.894 -0.654 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 -7.195 3.508 -8.156 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 0.599 -4.234 3.054 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 2.867 -11.333 -1.457 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 16.669 -19.499 13.855 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 -1.268 -1.599 7.045 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 -6.316 -0.372 4.487 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 -1.701 -2.039 6.532 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 -1.346 -1.115 2.210 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 2.515 4.607 -2.497 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 -45.659 16.133 -8.665 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 -0.884 -0.112 -3.283 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 -23.524 0.584 -19.561 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 -3.479 -23.382 -27.209 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 0.979 -0.367 -1.257 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 11.979 8.188 -9.889 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 -9.230 1.541 -5.615 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 -3.253 -0.640 -3.643 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 -15.416 7.411 1.041 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 -18.834 2.524 -10.612 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 1.038 -5.716 -6.710 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 7.793 -16.143 -4.312 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 -11.710 -3.213 -2.753 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 4.595 0.319 -2.579 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 9.289 13.417 -22.106 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 23.753 -16.981 -2.249 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 -3.585 3.234 -5.292 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 -1.118 -2.280 -1.575 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 -2.155 10.719 -3.116 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 5.114 3.140 1.995 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 -5.407 -7.756 -18.798 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 -1.692 -3.007 -10.767 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 1.478 0.894 3.801 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 -10.137 -8.317 14.906 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 -12.817 -12.985 27.262 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 0.259 3.056 1.500 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 35.925 6.609 2.306 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 -4.515 19.888 -5.236 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 0.261 0.248 0.784 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 -4.835 0.622 -13.149 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 7.942 -6.546 -6.345 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 -2.231 -2.571 3.005 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 3.468 -15.396 20.674 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 -12.813 -15.568 -3.265 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 0.878 7.594 -1.997 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 -10.545 -11.141 -27.440 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 5.992 19.084 0.561 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 3.607 0.481 -1.442 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 -17.796 3.371 -3.479 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 33.907 3.563 -0.065 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 7.019 -2.136 0.503 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 13.336 -1.476 -8.208 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 29.657 13.324 -32.317 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 1.877 -2.432 -1.996 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 4.895 -0.316 -7.350 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 -3.253 -4.018 0.253 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 3.488 0.825 4.342 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 1.482 14.939 6.834 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 -20.897 -1.720 -15.437 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 5.221 -0.905 -0.825 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 -9.448 -0.148 12.693 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 9.218 -8.649 -0.626 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 -6.029 -0.856 2.269 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 -1.176 -6.869 2.683 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 -3.345 1.764 5.652 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 0.996 -3.385 4.080 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 -37.307 -0.225 -15.923 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 -26.284 4.389 4.772 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 -6.550 -5.608 5.515 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 -0.190 -7.084 12.532 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 -6.925 6.125 0.630 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 -4.923 7.958 3.090 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 7.653 10.046 -8.441 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 -24.369 15.439 18.617 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 2.605 -2.087 -5.010 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -4.208 -13.122 -0.410 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 5.663 12.845 -12.850 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 2.545 -6.107 -0.516 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 13.011 -0.215 -9.303 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 -0.395 3.420 7.952 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 5.641 -2.574 -0.408 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 1.346 -4.213 -2.517 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 18.970 -1.689 2.998 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 -2.477 1.074 4.384 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 26.766 10.858 -3.738 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 5.824 -16.474 25.525 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 -4.016 0.268 6.571 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 -13.237 0.727 6.729 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 -11.502 5.161 -2.162 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 1.057 -3.347 -2.220 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 15.708 -0.392 16.205 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 -18.299 1.550 -6.704 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 0.624 -1.459 6.896 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 -6.249 3.502 -13.639 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 4.623 -0.398 -1.703 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 3.178 2.822 -3.218 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 19.364 -19.516 9.265 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 21.084 28.310 -4.454 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 -6.414 1.763 -1.436 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 -6.943 -1.588 5.091 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 -2.522 -12.232 24.950 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 0.084 0.902 1.672 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 -10.815 5.061 -0.074 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 -0.870 25.470 -2.631 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 10.084 -5.982 -9.098 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 13.494 21.039 14.158 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 -7.701 14.616 -2.318 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 -2.477 -2.398 3.311 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 -11.290 -7.978 6.285 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 3.516 -21.228 -7.609 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 2.416 -4.540 -4.907 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 -5.483 9.425 -15.061 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 6.795 -4.865 -4.433 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 -6.837 -1.690 -1.415 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 -29.390 6.321 2.254 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 4.451 13.548 7.266 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 -0.235 0.288 -0.605 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 0.602 -2.583 11.138 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 -0.198 -11.114 -5.195 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 -4.820 0.099 -5.887 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 -12.934 -3.075 1.431 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 3.458 -5.051 -3.843 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 1.592 0.413 7.262 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 14.514 -1.219 -9.233 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 -4.237 7.286 5.277 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 1.452 -1.621 -1.415 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 7.899 -12.483 -4.337 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 8.056 0.600 -0.678 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 -7.786 0.352 -4.903 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 -8.472 -2.217 -7.432 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 -10.391 11.664 3.096 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 -2.279 2.028 -5.027 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 10.634 -9.326 -15.381 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 13.779 5.262 -5.271 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 2.687 -1.712 -2.153 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 16.673 3.130 -9.767 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 1.446 -2.058 18.247 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 -2.077 6.960 -0.446 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 3.186 4.730 -17.505 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 -8.966 -8.165 18.270 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 2.847 -1.571 -2.740 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 6.170 0.746 8.874 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 1.501 -7.228 -1.709 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 -1.315 7.208 3.394 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 -4.298 16.904 7.295 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 8.263 19.460 18.877 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 -5.903 -1.697 3.032 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 -18.251 -16.124 -9.870 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 -11.138 -4.927 19.652 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 7.738 -0.075 -2.530 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 -7.361 -9.838 28.283 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 -13.709 16.160 -3.583 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 1.384 2.993 3.840 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 21.259 -3.962 21.982 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 -9.476 4.886 -3.554 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 -1.199 5.423 -3.578 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 -21.023 -3.719 2.791 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 3.048 25.803 2.627 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 -1.263 -7.710 -4.970 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 29.337 1.422 9.400 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 -30.078 9.106 -20.891 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 2.659 -1.523 4.358 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 -12.886 11.598 5.589 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 0.371 -39.352 -18.558 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 7.770 -2.318 -0.981 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 15.619 4.971 -0.405 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 -2.210 -6.473 -16.693 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 8.990 4.354 8.378 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 -5.550 16.839 9.135 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 6.616 -3.281 1.677 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 -4.126 0.012 0.816 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 -9.795 29.931 -2.295 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 -17.199 -12.082 -9.839 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 -1.182 -3.588 -0.008 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 -19.769 19.272 -24.551 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 18.927 -0.232 8.463 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 1.380 3.062 8.299 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 -9.486 -21.847 -11.969 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 -9.524 39.888 -0.635 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 6.500 -2.551 7.074 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 18.774 -2.536 0.223 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 -2.173 6.706 -2.018 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 -3.619 2.968 10.237 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 5.497 -6.906 -4.444 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 -3.326 0.127 0.093 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 4.334 -8.035 1.357 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 5.586 5.208 4.589 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 -1.092 -2.608 -3.492 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 -3.526 -0.165 -1.404 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 -21.461 -6.846 -12.554 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 12.802 9.037 -7.608 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 -4.628 0.625 -5.371 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 -4.462 1.127 -4.457 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 -4.236 -0.034 -5.463 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 -2.181 5.053 5.765 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 13.471 -16.325 1.182 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 7.985 20.193 15.389 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 -1.912 -5.851 -6.531 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 7.293 -7.943 2.255 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 12.505 -37.246 -4.573 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 -2.298 -1.856 -0.325 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 -4.463 -13.737 -11.424 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 17.639 -14.079 -7.921 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 -4.356 -3.784 6.310 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 -9.396 -10.317 6.188 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 2.856 -4.830 -0.757 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 0.164 -2.877 4.030 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 -2.982 -1.713 19.450 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 22.908 17.107 10.804 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 -3.019 -5.934 -3.549 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 -8.505 15.722 12.273 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 25.620 3.334 -6.386 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 -0.863 3.652 1.500 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 -9.130 4.836 -0.125 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 -0.931 -1.188 9.629 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 5.965 5.007 1.038 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 14.954 7.391 -10.140 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 13.765 12.132 8.338 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 -5.946 -6.781 -6.513 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 -22.453 -4.858 -20.880 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 -3.249 -2.908 3.079 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 4.574 -4.457 -5.585 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 15.281 -6.685 -0.186 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 -3.905 -1.473 -8.701 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 -3.596 -0.605 4.184 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 -3.981 11.121 9.162 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 -0.979 -16.351 -7.617 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 0.507 1.567 4.047 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 -2.902 -9.347 -8.096 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 4.784 9.335 1.106 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 -4.262 1.426 -2.363 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 -1.262 14.232 7.820 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 -1.729 1.586 32.356 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 -8.557 4.407 -1.312 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 7.863 9.347 5.001 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 24.691 9.010 31.025 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 -0.796 -6.637 -0.742 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 7.541 2.426 15.460 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 -28.032 -1.113 -5.522 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 -0.198 -0.425 4.418 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 -1.708 -0.326 22.823 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 0.177 0.727 -4.766 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 3.643 -3.735 0.034 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 -30.561 16.681 8.293 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 -4.809 18.706 -7.231 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 7.403 7.344 -2.625 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 11.233 8.574 -13.100 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 8.344 8.402 -4.678 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 -2.273 -0.191 1.882 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 -11.468 -24.636 -25.980 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 16.173 -25.209 -5.199 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 4.103 1.061 -7.413 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 14.284 7.701 8.994 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 -9.966 20.684 15.705 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 3.229 -4.621 -2.224 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 -0.753 -3.623 -8.406 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 13.758 -13.584 -3.226 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 1.131 -0.344 -2.283 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 -9.478 0.910 -3.412 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 1.105 7.014 -0.795 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 -4.303 1.613 4.968 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 -2.815 -9.033 -3.010 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 -16.202 10.650 -2.655 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 2.486 0.041 0.560 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 -6.177 -3.172 -17.726 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 9.561 -2.415 17.400 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 0.798 -5.931 -1.764 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 17.529 -13.250 -10.142 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 -15.245 10.626 6.733 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 1.748 7.633 -4.513 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 -7.688 0.079 -6.465 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 2.630 14.736 15.510 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 -4.783 -6.050 5.336 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 -9.503 -28.011 -9.581 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 19.355 -10.415 17.646 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 4.377 -3.376 -1.710 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 -20.446 14.784 -9.938 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 -5.874 6.457 0.411 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 -3.202 -9.716 -8.301 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 -12.665 10.407 3.611 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 -38.457 1.124 -5.547 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 -1.675 1.595 1.040 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 9.038 -10.256 21.824 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 -6.358 8.976 -4.573 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 1.867 -3.394 -0.857 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 7.477 0.108 -2.445 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 13.458 4.890 -4.554 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 3.045 -0.895 1.848 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 -2.245 4.834 5.677 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 5.989 -3.083 2.403 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 0.211 3.408 -5.632 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 -4.773 -0.199 -25.129 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 2.810 -7.174 -4.152 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 3.247 -3.746 -0.434 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 0.902 -6.611 2.971 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 -6.372 -4.167 -0.771 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 1.108 -2.679 -8.151 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 -12.417 8.141 -8.619 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 -12.680 -27.816 0.729 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 1.658 -1.285 -3.520 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 8.200 -0.460 -5.794 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 -0.921 -10.175 2.805 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 5.843 5.636 -2.532 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 8.391 -3.214 4.785 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 11.079 -6.406 -7.273 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 -6.173 0.306 7.187 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 1.053 -3.051 -0.281 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 -20.816 -4.462 15.271 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 -0.978 -1.916 4.108 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 4.492 -3.881 -2.363 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 4.565 -3.872 -2.217 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 -5.492 0.789 3.323 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 -0.304 4.323 -6.277 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 -6.210 3.209 8.290 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 -1.779 -4.354 -5.952 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 -11.264 -15.872 -7.033 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 -4.597 -1.733 -3.347 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 0.200 -3.549 0.589 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 -2.911 1.919 -0.072 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 2.488 -13.953 -7.694 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 3.042 0.009 -2.090 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 -0.803 0.683 -19.568 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 12.570 15.458 -0.499 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 -2.178 5.371 -6.797 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 -4.800 5.630 6.390 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 -21.049 18.075 31.053 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 -1.922 -0.473 6.039 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 -5.325 4.810 10.141 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 -6.091 -6.848 7.053 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 -0.373 -0.689 -1.975 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 -1.585 2.186 -3.077 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 0.640 -0.416 -2.260 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 -5.905 5.126 4.605 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 -13.105 8.954 0.820 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 3.161 -8.957 2.142 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 2.715 2.940 0.347 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 1.224 -18.060 11.031 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 15.066 16.776 -9.048 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 -2.287 3.104 -0.670 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 11.416 26.580 4.039 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 18.884 18.947 -8.583 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 -0.321 -0.906 -1.891 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 -21.297 -0.270 -21.803 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 5.295 -18.210 -24.920 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 -3.424 -4.487 -1.372 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 -11.833 -11.899 -7.475 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 5.385 19.806 7.676 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 2.260 -2.822 -0.688 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 -21.022 -6.595 9.984 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 -13.426 -14.488 -12.484 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 0.023 0.188 0.109 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 -9.535 6.680 26.614 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 -8.653 2.216 -0.193 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 4.841 3.940 -2.243 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 16.682 3.236 -12.204 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 11.280 10.926 -3.871 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 1.447 -3.854 4.019 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 -7.385 5.663 -8.636 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 13.970 2.595 11.532 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 -0.976 2.055 -2.419 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 17.565 14.165 15.388 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 12.710 -16.009 -19.963 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 -2.128 6.794 1.444 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 13.901 5.273 8.257 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 20.084 2.358 10.396 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 -0.044 8.437 3.575 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 -3.092 5.605 -4.980 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 1.390 4.811 -3.302 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 -3.232 -4.106 -0.209 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 2.796 -7.402 8.629 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 3.818 2.640 -6.049 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 -6.684 -3.850 -5.372 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 -1.188 -22.404 -6.215 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 8.021 4.220 9.663 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 -6.506 -10.515 1.759 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 11.695 1.718 8.882 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 -1.503 -8.486 -4.309 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 -2.024 -1.993 4.062 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 9.845 -12.579 6.138 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 5.437 5.183 -7.670 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 3.017 -5.881 3.701 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 -8.273 25.256 8.538 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 -5.597 0.885 7.744 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 -5.599 8.215 9.689 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 -4.126 7.808 6.011 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 -7.213 3.020 -1.736 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 5.392 -5.786 3.240 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 -15.916 -11.524 -16.673 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 21.428 5.914 35.995 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 4.415 -1.233 1.846 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 3.847 1.742 4.524 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 10.073 -16.871 -11.157 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 -2.012 -4.960 -0.349 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 -0.367 -13.925 -2.309 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 23.425 0.401 -11.894 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 -1.967 -9.030 -0.996 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 -0.117 7.851 -6.610 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 -3.635 9.309 -5.592 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 0.665 0.610 -2.010 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 7.136 2.101 -3.179 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 -4.599 -1.042 -1.323 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 -9.805 1.709 -3.930 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 2.121 -19.958 -12.558 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 -8.961 7.017 4.746 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 -0.302 4.393 -4.174 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 -4.248 -14.040 -25.751 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 17.733 -2.888 -2.764 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 -2.405 -3.986 -0.168 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 -1.272 -6.730 16.025 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 1.954 -9.026 -5.505 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 -4.847 2.025 -6.361 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 6.897 6.285 -11.780 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 9.523 -5.907 -3.701 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 -1.500 -5.817 -2.541 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 -9.263 -17.983 22.168 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 16.853 14.029 2.289 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 4.773 -5.676 3.285 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 -1.369 -2.688 -0.619 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 -4.433 -6.061 -5.981 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 1.516 5.922 -0.233 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 17.893 -6.585 -12.745 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 16.415 -12.608 -10.502 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 0.956 -4.628 8.817 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 -0.226 -33.583 10.472 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 7.070 1.426 6.013 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 0.126 -2.256 2.455 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 -6.379 -2.784 -8.327 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 -1.957 7.704 -9.872 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 -5.764 2.852 1.446 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 -7.528 -15.529 5.847 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 -5.067 2.619 -8.004 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 1.460 -1.434 -0.166 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 7.594 0.251 0.751 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 -20.471 9.485 -1.137 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 3.093 -0.421 -1.993 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 0.385 7.616 6.377 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 -1.790 -7.135 0.707 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 -8.793 1.642 -3.707 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 -6.677 3.212 -2.916 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 8.476 15.762 -6.114 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 4.005 -1.882 2.307 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 1.003 -17.292 -1.118 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 12.725 -3.690 5.400 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 -2.914 -0.746 2.107 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 -12.758 -6.527 -5.962 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 -13.377 -24.592 12.852 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 2.775 -1.632 -3.680 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 -3.886 13.961 -16.726 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 1.861 0.487 -6.639 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 0.896 -0.569 -0.485 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 9.842 -3.204 4.671 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 3.938 10.756 11.890 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 1.960 2.548 -5.352 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 -1.807 -20.511 12.763 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 0.712 16.700 14.608 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 0.972 4.225 -4.392 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 2.219 1.370 -2.940 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 -1.489 9.573 -7.523 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 2.218 -2.255 2.235 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 3.571 -4.077 -0.531 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 16.755 -15.108 -19.462 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 4.055 -3.770 -1.021 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 17.064 -3.030 -3.308 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 -15.611 -5.461 -2.509 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 1.090 0.735 2.054 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 10.679 1.190 10.227 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 -5.298 -4.294 4.565 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 1.192 -6.805 -6.295 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 0.835 -8.822 0.367 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 -3.836 0.963 22.397 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 -7.140 -1.602 -10.730 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 -7.034 3.090 -3.841 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 -16.610 2.455 -1.370 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 -4.091 0.896 1.704 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 -28.113 -27.849 -24.665 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 22.099 -6.763 -5.920 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 -2.809 -4.015 5.450 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 -0.071 16.730 23.182 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 -17.056 2.906 0.585 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 5.910 2.045 0.122 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 18.893 15.455 -9.600 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 3.128 5.028 3.841 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 -0.511 -3.909 -5.933 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 10.692 -0.564 -4.245 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 -9.459 -2.885 -2.254 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 7.140 0.928 1.703 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 8.941 -6.143 0.279 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 6.822 4.293 6.525 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 -5.282 9.616 3.861 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 -3.349 10.105 3.404 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 8.375 10.982 11.846 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 6.548 3.080 -6.268 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 8.195 -10.494 -18.794 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 11.827 19.110 -12.052 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 1.975 -3.898 -0.831 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 7.448 -3.478 -2.562 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 -0.952 -9.158 -0.241 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 -2.647 -2.052 5.329 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 35.210 5.011 15.198 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 0.303 -27.548 -16.944 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 2.275 0.992 1.596 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 11.243 14.961 -3.214 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 13.042 -18.730 11.645 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 3.571 6.115 -5.058 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 -31.529 -18.111 13.978 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 0.377 -25.369 1.057 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 -5.209 -0.230 6.882 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 -8.809 -10.824 40.267 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 4.831 8.388 21.962 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 0.042 -3.857 -2.902 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 -15.816 13.380 5.328 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 16.839 20.998 7.912 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 4.901 0.208 -1.372 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 6.816 -4.033 13.757 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 12.949 -5.650 -8.957 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 3.175 -3.552 3.553 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 9.814 2.191 -3.172 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 -9.016 11.669 -5.722 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 3.391 -1.645 8.663 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 -9.414 -5.599 3.863 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 7.949 13.903 -22.155 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 1.854 -0.098 3.260 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 0.544 -11.500 -25.595 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 1.463 -1.207 -0.903 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 -3.503 -0.307 -0.514 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 11.648 14.557 -7.417 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 -6.825 -10.812 19.435 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 1.139 -4.272 -6.903 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 -2.158 -7.605 -7.184 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 9.803 9.690 2.938 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 -0.203 3.942 3.315 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 1.426 6.855 -6.240 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 0.357 11.322 -8.469 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 2.349 -2.162 2.038 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 3.902 -19.082 14.655 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 3.283 14.120 18.446 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 -8.715 2.298 2.111 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 -0.482 -1.487 -2.893 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 6.649 5.322 -18.346 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 -1.890 -0.109 0.992 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 2.323 -3.387 6.466 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 -4.458 25.349 -12.633 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 -1.660 -0.249 -2.020 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 4.631 9.262 -5.696 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 7.001 11.506 -17.025 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 6.722 -2.346 -2.849 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 -15.040 12.179 0.128 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 1.105 -1.099 -22.252 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 -4.433 0.481 -2.780 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 -4.621 -16.094 -9.256 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 4.218 13.250 -6.462 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 -4.043 1.240 2.110 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -9.891 3.317 3.134 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 8.550 -10.465 -4.636 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 -1.593 -2.468 -0.667 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 -1.440 2.631 -2.711 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 -8.037 -13.292 2.857 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 -8.654 6.143 0.021 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 6.092 14.464 -13.234 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 -10.638 17.490 8.914 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 7.025 -2.273 -6.133 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 -8.107 -11.017 -22.043 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 21.207 -14.994 6.328 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 -0.701 -1.023 -2.736 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 0.684 -0.516 2.307 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 -3.665 -1.305 -3.027 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 -4.725 -0.631 -0.629 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 -11.703 -12.732 7.216 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 -4.093 7.919 15.973 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 -0.348 0.061 2.301 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 -1.054 5.816 -4.433 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 0.842 -0.694 -4.230 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 -0.755 2.863 -0.519 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 -6.508 -28.889 -7.137 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 22.596 1.276 14.133 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 0.239 -1.963 -10.942 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 -5.358 2.083 -24.569 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 -0.394 -19.895 -14.544 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 1.902 -0.281 -3.154 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 2.639 3.795 4.593 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 9.450 -2.362 -8.071 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 -0.407 2.247 1.302 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 -17.214 7.390 -5.913 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 15.778 -2.678 27.013 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 -1.444 -3.445 0.726 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 -7.634 -4.969 -1.937 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 19.253 -10.109 1.008 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 -0.884 -3.871 -1.234 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 7.461 2.209 13.294 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 -5.403 -8.025 -16.098 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 -4.073 5.332 3.428 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 15.035 30.091 -2.771 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 -4.950 2.970 40.048 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 -2.617 -5.156 0.298 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 -22.458 21.023 15.582 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 -4.552 6.710 5.109 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 -3.405 1.524 -1.436 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 -0.143 -2.595 2.497 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 -2.835 5.718 0.185 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 -0.886 3.785 -2.298 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 0.420 1.489 -13.439 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 -5.348 3.640 1.765 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 -2.914 -4.629 -10.580 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 1.872 4.508 -12.809 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 -7.770 -16.312 -4.606 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 -5.226 -2.405 -1.324 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 5.742 -4.482 -2.150 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 -15.973 -12.274 1.315 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 1.243 -1.294 0.979 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 0.527 -0.074 0.193 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 0.973 0.624 -0.130 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 6.573 -1.927 1.776 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 -12.680 -20.227 -5.719 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 -4.034 -20.302 0.031 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 2.957 -5.660 3.040 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 -12.225 -11.375 18.776 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 15.535 8.840 -14.635 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 3.971 3.904 2.711 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 2.718 -14.555 16.447 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 -16.914 14.031 29.853 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 -3.522 0.385 -1.250 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 -6.714 -7.550 -1.519 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 -3.958 2.225 7.938 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 -3.386 -0.668 3.414 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 1.173 2.603 14.651 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 2.140 5.051 -0.865 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 2.700 -3.949 8.119 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 18.304 5.110 -6.091 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 1.355 15.821 -15.655 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 -1.026 -1.368 -6.379 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 -3.934 -16.446 -7.855 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 -4.631 -3.216 -3.548 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 -1.914 -0.561 -6.323 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 -21.245 21.225 6.682 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 6.872 -26.919 18.491 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 -1.992 -5.120 8.509 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 -31.180 -30.926 20.047 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 -6.535 5.691 30.654 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 -1.616 -1.241 0.350 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 10.299 0.188 8.917 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 -2.900 -0.187 1.211 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 0.787 2.941 -4.171 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 -0.911 6.079 -5.961 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 28.921 -4.974 10.858 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 8.902 3.644 1.512 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 1.256 -18.735 -6.961 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 -20.103 2.746 -22.717 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 1.590 6.975 1.858 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 -2.687 8.243 1.044 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 -18.124 15.972 -23.952 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 -4.590 -5.798 1.092 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 -2.046 11.699 -0.847 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 0.608 27.008 -2.407 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 -4.842 -1.807 6.159 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 10.952 11.671 -16.191 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 11.892 -13.104 3.743 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 -3.878 5.330 3.040 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 -13.139 -8.866 -6.986 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 1.505 -4.429 -7.466 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 -5.221 4.924 -2.892 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 3.616 8.639 -7.551 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 1.340 11.024 1.129 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 0.953 -0.426 -0.459 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 -10.424 -9.630 8.359 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 -2.234 -16.378 -3.057 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 2.108 2.664 -6.036 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 11.283 -15.782 -14.822 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 -3.438 -8.213 14.619 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 5.492 2.494 1.109 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 -10.989 5.863 6.783 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 16.892 2.034 20.314 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 -5.744 -4.004 1.383 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 -2.077 -24.850 -26.164 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 -6.020 -20.627 -9.554 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 -1.536 -6.283 -2.983 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 -11.002 -1.733 1.878 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 -11.526 -4.977 4.265 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 5.615 -2.867 0.879 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 9.848 -6.353 -11.555 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 -0.704 1.009 9.350 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 -0.889 4.070 -4.899 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 -5.300 -3.965 -4.379 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 13.019 -6.691 -14.169 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 4.586 5.876 9.888 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 20.025 -22.504 -3.878 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 -23.704 18.049 -8.252 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 0.094 5.430 1.879 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 -6.701 6.124 -3.139 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 -3.020 -1.712 0.256 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 1.944 0.364 -1.911 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 -13.477 -0.588 1.567 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 -2.029 -1.813 -4.804 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 4.214 2.473 0.165 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 11.446 2.862 3.437 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 13.601 -4.196 14.960 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 -5.869 -0.718 1.614 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 1.194 4.850 -4.517 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 4.276 3.565 -4.555 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 -1.528 -1.195 3.100 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 -14.516 -24.903 -14.500 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 20.015 -4.824 15.405 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 4.964 -3.763 -0.726 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 -11.590 7.551 -11.145 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 6.091 21.119 16.231 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 -0.791 -3.908 -1.124 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 3.520 -6.254 -9.166 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 -0.824 -3.544 -1.516 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 -0.025 2.946 -1.041 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 8.097 4.679 -7.691 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 24.307 -3.030 -16.292 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 1.901 -2.823 4.804 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 -12.712 -12.603 16.018 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 -9.663 35.220 0.369 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 1.380 -0.249 -3.915 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 -7.511 -2.471 -9.785 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 -13.982 14.472 1.380 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 4.512 0.240 2.228 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 8.238 -9.625 23.514 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 -11.605 -12.192 -10.993 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 -5.105 -6.721 -0.030 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 -2.840 -5.154 3.819 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 -32.951 -32.091 -38.921 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 0.371 -3.876 -2.220 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 1.297 -8.176 -5.933 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 -1.693 -3.933 4.150 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 2.502 -3.113 1.807 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 6.885 -6.431 10.083 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 15.661 -17.487 14.483 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 -1.572 -1.843 -2.665 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 -5.731 -18.089 -9.753 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 17.285 -7.137 8.978 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 -2.101 0.141 9.745 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 0.646 -18.369 8.037 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 -5.988 -5.210 0.735 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 2.516 0.241 3.416 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 -12.579 -2.231 3.097 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 4.085 2.534 -13.973 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 -6.064 -2.855 -6.617 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 -5.798 -16.697 8.722 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 7.036 10.894 -9.557 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 1.755 4.062 -3.731 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 1.612 4.849 15.722 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 20.700 -3.939 -6.822 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 8.177 -1.079 -0.443 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 12.857 0.000 6.194 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 7.748 11.512 9.120 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 -1.636 -4.951 -1.180 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 21.333 -25.662 -5.449 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 17.564 25.057 -15.739 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 5.641 -0.261 1.997 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 -3.657 7.500 -3.462 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 -8.094 5.577 -12.639 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 -0.682 0.940 -7.720 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 6.431 -2.445 -4.958 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 6.099 -2.106 -5.975 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 -0.493 -2.829 -6.937 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 4.078 -9.805 2.137 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 -8.323 3.908 -1.595 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 2.182 -2.083 -2.623 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 -19.669 -19.591 -1.002 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 -3.204 5.101 -7.494 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 -2.097 -2.530 -0.823 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 8.365 6.407 -10.883 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 3.938 14.325 -19.086 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 -1.343 -3.262 1.785 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 11.192 -1.253 18.449 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 -0.928 -26.041 1.519 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 -0.417 6.083 -6.364 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 10.805 1.862 8.605 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 -20.426 17.524 -16.986 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 -2.282 2.484 -1.338 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 -1.118 -9.460 -8.943 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 7.246 0.327 -1.645 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 2.690 -0.856 9.222 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 10.652 -17.466 23.147 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 -9.578 16.552 4.585 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 5.658 2.358 -8.150 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 -10.954 -7.093 10.879 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 7.567 -5.316 -6.603 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 3.423 -3.619 -0.669 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 5.705 -1.397 1.650 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 24.771 5.496 10.450 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 -7.051 -3.984 -1.047 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 -8.684 11.668 -4.385 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 10.424 15.326 19.368 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 3.886 0.993 0.540 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 -10.802 12.534 11.645 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 6.379 -2.058 -5.837 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 7.370 -4.436 -1.549 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 21.445 -2.115 3.990 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 -37.141 7.965 15.936 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 -3.094 -0.739 -3.183 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 4.149 -0.128 -5.311 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 -34.527 1.879 -7.023 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 2.871 -3.833 -4.927 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 -10.150 0.326 -4.173 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 23.353 -4.832 4.530 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 2.880 -0.457 -0.788 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 5.256 -13.134 1.983 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 10.497 -0.229 1.879 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 -2.287 -7.356 4.146 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 4.022 -1.860 3.390 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 16.331 -2.586 10.502 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 -1.600 -2.714 -1.597 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 0.705 -6.669 -9.969 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 -14.300 5.395 -1.518 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 -7.188 -1.482 7.079 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 -6.002 -21.093 -4.671 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 8.237 11.221 4.420 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 -3.438 -7.267 11.350 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 -1.683 -6.948 -9.092 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 -1.751 -6.871 -6.821 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 2.340 -6.454 0.536 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 -0.916 -19.198 -8.602 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 7.759 -13.986 -2.822 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 -1.636 -6.849 -4.370 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 -7.697 8.574 -8.090 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 4.560 -9.820 -3.021 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 -0.948 1.814 -6.694 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 14.465 -1.234 -19.727 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 -2.735 20.266 1.352 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 4.682 -1.924 -4.133 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 -4.806 11.234 -13.830 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 12.807 5.631 -16.107 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 0.790 3.303 2.632 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 0.036 3.003 -0.475 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 -5.813 2.344 -14.989 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 9.715 -5.891 2.685 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 20.559 5.206 11.222 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 26.794 -9.032 -5.538 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 -1.708 1.403 -3.643 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 3.599 3.866 1.454 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 4.075 -2.379 -8.570 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 0.825 -4.094 0.752 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 29.379 -5.345 -4.542 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 -22.544 19.440 7.642 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 -4.434 -2.686 -3.309 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 -2.283 -1.084 -0.388 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 -14.144 -1.874 -5.264 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 -4.187 3.507 -1.198 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 8.078 8.929 -20.149 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 -12.145 -9.214 0.844 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 -0.383 1.656 -0.962 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 1.560 -12.588 -15.003 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 16.555 -5.389 -18.964 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 -8.474 -0.151 -4.369 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 -26.834 -33.714 1.856 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 -7.965 -5.858 -19.346 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 -2.522 2.919 1.325 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 25.706 34.602 12.186 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 23.595 13.036 1.837 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 -4.735 7.170 2.930 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 -7.977 0.248 13.418 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 -12.223 -23.327 37.475 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 1.140 -2.970 2.613 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 2.057 -3.484 4.172 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 -15.589 21.588 0.322 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 -3.696 4.195 2.094 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 -8.791 -7.241 -10.254 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 -24.549 2.521 10.818 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 -4.123 -10.651 -0.236 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 -15.535 -18.054 -4.774 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 -5.240 -11.052 -6.732 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 -3.021 0.183 2.146 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 -19.232 -22.218 7.577 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 -5.863 8.382 13.906 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 -5.769 -1.690 4.663 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 -8.483 -5.334 -13.158 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 -2.081 9.264 10.106 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 -2.980 7.278 0.159 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 11.674 -6.121 -11.293 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 -15.855 13.712 -5.331 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 2.701 -2.989 1.207 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 -24.547 -7.937 15.152 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 14.455 -3.915 -4.853 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 -2.023 -4.617 -6.678 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 -5.477 -3.346 -6.057 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 -11.023 -10.382 -5.458 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 3.870 1.226 0.607 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 -2.296 0.563 11.933 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 3.476 2.733 -4.915 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 4.460 -0.402 -4.392 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 -6.809 11.809 -2.958 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 -4.118 -13.197 0.088 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 -3.260 -1.081 1.212 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 4.446 -2.987 -3.730 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 -2.578 5.050 6.261 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 2.327 -2.239 0.770 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 4.508 5.675 17.254 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 -16.785 7.210 1.304 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 -2.311 2.685 6.318 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 -7.594 13.959 11.456 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 -5.795 -9.241 -11.578 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 4.114 -3.765 -1.606 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 13.728 11.610 11.220 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 -3.362 -8.932 -7.580 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 6.069 -3.464 0.830 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 15.322 -4.324 -13.891 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 1.986 0.232 -3.533 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 -0.974 -4.415 -1.863 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 -1.453 -3.912 -2.198 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 -0.290 -5.491 -2.386 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 1.128 0.462 4.227 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 16.218 11.307 -7.124 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 15.094 -0.717 1.566 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 7.751 -11.050 1.264 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 -6.921 -9.473 29.343 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 -15.887 -11.706 -9.418 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 1.083 0.127 9.042 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 -18.505 13.577 1.422 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 9.179 10.003 13.803 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 3.805 -5.683 -0.452 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 15.227 -2.209 9.518 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 -0.807 -21.812 1.676 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 -4.013 0.084 0.066 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 -22.052 2.356 -11.782 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 5.939 -4.489 -1.109 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 -3.741 2.303 -8.413 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 -8.572 -1.207 6.683 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 5.294 0.854 -13.911 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 -1.655 1.304 -0.192 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 9.272 -1.524 -10.221 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 -4.279 -12.461 -4.354 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 0.439 -0.933 5.416 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 -3.258 -1.801 9.501 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 -0.210 6.004 -4.062 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 5.729 9.248 8.777 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 -28.272 -13.477 1.932 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 -5.352 -4.561 11.930 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 -3.848 1.827 4.569 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 -19.420 -18.082 -16.922 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 -13.363 31.759 -3.601 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 4.533 1.193 -2.635 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 -11.733 -11.999 -4.703 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 6.786 2.893 -2.601 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 -2.626 -2.279 -2.136 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 5.467 4.452 -17.829 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 -14.792 4.218 -2.311 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 -3.117 1.596 -1.765 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 -9.290 -18.795 -14.977 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 -0.001 5.581 21.599 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 -1.787 -1.913 -2.166 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 -5.640 0.642 -1.415 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 -2.245 -0.316 -3.116 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 2.183 1.274 2.288 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 -1.545 0.995 1.228 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 -7.893 0.640 -2.708 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 -3.761 -3.370 -1.494 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 1.657 1.586 -7.501 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 2.596 -5.895 2.979 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 2.955 -1.545 -9.456 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 3.927 -1.658 -17.625 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 4.135 -2.805 15.318 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 5.167 -0.172 -4.566 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 8.854 2.786 -26.840 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 3.173 -0.298 -3.246 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 -5.421 -3.766 -2.624 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 1.799 -10.943 18.298 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 -3.039 1.276 -3.060 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 4.540 4.462 -0.184 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 -19.082 2.225 15.593 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 -9.511 5.073 6.824 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 0.310 1.436 -6.414 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 5.230 -18.084 11.926 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 -13.599 -1.990 -8.837 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 -1.799 -1.434 2.880 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 5.866 -10.536 -6.794 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 -8.322 5.770 21.639 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 -4.407 0.725 -6.867 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 19.188 23.871 8.276 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 -5.264 6.490 6.224 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 -0.134 -1.549 -2.598 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 8.117 15.749 -3.547 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 20.004 -5.066 3.578 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 -1.739 -5.399 -1.584 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 -20.158 24.379 -9.885 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 -5.829 21.783 3.370 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 0.261 -3.338 -2.301 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 -28.722 1.842 12.882 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 6.937 -2.296 -18.405 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 -6.442 3.334 1.417 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 -20.347 9.193 -22.686 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 0.984 17.723 7.593 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 1.569 -2.149 4.445 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 -9.167 25.093 22.057 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 5.559 -5.328 -1.252 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 1.158 -2.841 1.224 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 -12.162 -3.390 9.384 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 9.313 -8.312 2.776 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 -0.559 8.506 -1.327 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 13.785 -4.636 -16.263 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 -9.416 16.703 1.492 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 -9.875 -1.281 3.585 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 -17.413 -13.298 9.234 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 -4.082 2.647 13.781 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 -0.169 -0.094 3.537 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 -25.070 0.707 13.553 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 -1.750 0.186 4.657 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 4.852 -0.433 13.161 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 18.164 11.008 9.095 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 -6.353 8.436 6.831 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 -1.795 -1.050 -2.544 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 -13.641 14.154 -6.016 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 -12.908 29.250 -6.792 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 3.568 -2.320 -2.303 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 6.025 -0.130 3.592 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 -1.623 3.099 -6.728 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 0.798 1.549 -6.765 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 -30.302 -16.143 7.161 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 10.611 -9.769 -24.327 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 2.121 0.360 -5.403 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 17.206 19.628 -13.729 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 -3.231 -18.030 -8.703 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 0.590 4.470 3.067 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 -8.044 -16.589 -9.046 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 6.103 17.652 1.458 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 -0.708 -7.343 4.999 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 16.447 3.859 -18.574 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 -17.158 -3.504 23.040 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 -2.202 -8.272 -0.883 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 8.619 -0.128 -18.749 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 -8.701 10.546 8.750 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 2.454 2.675 3.140 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 11.330 -5.323 0.732 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 11.745 -2.966 3.538 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 7.759 -3.507 -2.072 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 3.109 -9.503 13.584 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 8.284 10.505 16.065 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 -0.041 -8.058 -6.647 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 1.586 -12.095 -33.951 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 19.157 3.985 -8.465 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 5.765 4.086 0.446 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 9.446 -3.201 4.744 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 -7.150 -9.273 11.716 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 1.276 -3.983 1.162 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 22.318 -14.132 25.142 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 15.343 -21.709 23.620 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 -0.597 1.937 -1.748 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 -3.595 4.607 -3.664 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 3.592 -1.956 -5.633 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 1.137 -1.099 7.157 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 11.554 4.125 7.457 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 -5.554 16.377 -1.761 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 0.348 3.628 -1.202 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 -4.200 6.478 -3.623 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 1.230 6.891 -4.446 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 1.483 -1.501 3.338 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 18.172 -0.280 0.174 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 18.283 0.385 -1.326 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 0.276 -5.288 -1.372 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 -6.249 -6.166 -20.326 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 8.233 -19.344 2.664 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 -2.956 -3.699 2.418 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 0.372 7.536 -8.004 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 16.258 19.054 -12.418 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 -1.941 -6.327 -6.358 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 -7.786 -7.268 13.886 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 -19.093 14.872 6.697 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 2.679 -0.568 0.384 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 26.382 -18.324 -1.887 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 -0.374 -22.275 12.898 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 2.952 -5.536 1.938 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 -7.900 8.063 23.161 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 -1.478 1.242 -3.571 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 5.932 -0.494 -5.749 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 4.059 0.418 0.179 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 5.327 -15.407 1.847 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 0.853 -5.659 -1.211 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 -8.289 9.089 -14.706 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 2.598 1.637 15.723 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 -5.798 1.776 1.861 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 -1.229 -2.668 -3.955 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 -10.423 12.457 0.160 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 1.463 0.535 5.514 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 8.510 -4.148 10.917 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 -3.092 -10.130 14.281 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 -0.169 -4.436 -4.738 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 9.956 21.939 -1.456 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 -9.420 16.197 -15.372 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 -7.452 1.571 0.978 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 8.562 -4.169 8.340 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 -2.117 -13.076 -8.933 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 -0.649 -2.541 1.534 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 8.959 -17.567 7.820 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 -21.363 -15.134 16.389 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 -4.869 -3.002 -0.484 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 -12.502 -4.645 -8.063 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 4.412 6.109 27.070 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 -2.605 -5.160 -3.864 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 10.012 -3.366 -5.725 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 -31.988 -11.542 -22.117 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 0.722 7.650 7.356 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 -17.671 9.648 4.144 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 3.110 5.367 -5.121 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 -5.689 0.577 3.747 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 -12.259 -2.615 -13.644 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 -21.416 -13.977 -6.154 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 0.420 1.680 -2.441 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 6.144 -3.961 12.465 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 -6.199 8.030 -22.579 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 4.532 0.349 6.925 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 19.494 -6.571 -2.600 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 -12.942 -2.979 1.736 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 2.789 2.460 -3.204 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 6.232 14.634 6.572 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 -1.205 0.029 -7.693 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 3.265 1.482 4.672 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 -1.131 6.283 15.119 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 -22.289 -11.672 -11.681 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 -1.627 1.691 -3.741 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 -23.562 -6.429 14.763 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 -6.035 17.728 -28.995 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 -1.462 -0.977 -2.823 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 -2.298 -9.328 -5.398 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 12.783 16.398 9.993 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 2.283 -0.709 -0.848 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -18.542 -20.354 2.000 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 9.708 0.528 14.890 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 -3.142 4.693 0.627 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 -13.548 11.385 -25.806 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 -9.283 5.859 -5.375 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 2.829 -4.737 2.760 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 23.251 -13.799 7.892 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 -29.147 10.753 -2.374 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 -2.165 1.596 1.147 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 -7.596 -15.175 22.146 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 6.826 21.777 13.880 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 -0.969 6.359 -2.213 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 -1.856 -23.477 -12.075 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 -7.346 17.501 -28.967 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 2.040 3.086 -2.513 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 5.980 -13.643 -7.929 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 12.528 -1.943 -1.165 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 3.706 3.416 -1.044 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 4.743 16.675 0.965 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 -1.628 14.763 5.756 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 -1.359 7.018 -2.778 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 -11.705 19.040 7.269 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 7.244 1.365 -8.638 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 0.857 -2.235 5.476 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 -12.590 7.162 -10.932 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 17.941 -2.832 -2.229 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 -7.119 -1.421 -1.458 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 -7.980 5.124 -7.111 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 -4.445 -0.320 9.914 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 5.757 -2.927 5.000 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 -5.053 -19.981 -2.852 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 1.616 6.410 13.157 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 0.461 -2.562 4.254 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 -0.304 -3.387 4.021 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 -1.066 -3.904 1.700 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 -0.673 -2.775 -0.786 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 -6.849 -2.002 0.832 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 1.424 -5.100 0.217 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 -2.348 2.115 0.906 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 -12.595 -12.918 -17.715 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 3.685 -9.102 18.710 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 -1.883 2.328 -1.294 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 -7.749 15.325 -14.362 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 -8.069 12.726 7.062 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 2.221 1.742 -1.728 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 1.187 -5.508 -5.175 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 8.924 12.120 -0.550 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 3.536 -0.185 3.965 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 9.953 9.365 -0.097 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 2.754 19.803 -11.902 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 -1.811 1.216 9.613 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 -0.558 -6.033 -6.973 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 14.781 10.769 18.934 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 -4.709 2.664 3.441 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 -18.010 1.085 11.038 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 -7.068 -7.408 -7.676 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 -5.276 0.147 -1.754 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 -1.542 4.538 -13.063 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 -4.178 -8.092 5.183 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 -4.209 -5.676 -1.782 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 -3.189 -7.288 9.869 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 11.984 6.141 -0.054 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 -1.635 5.931 -1.427 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 32.291 -9.842 13.355 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 -4.759 -11.161 3.138 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 -5.798 0.898 1.151 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 6.038 -16.385 -7.193 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 -24.006 -1.644 -4.275 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 -1.984 -0.383 -2.242 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 1.525 -27.876 -23.209 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 0.159 -15.073 -13.343 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 -0.944 -3.673 0.029 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 10.063 2.880 -17.151 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 2.174 -2.038 11.479 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 -0.672 -1.520 -4.210 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 12.886 6.988 -8.603 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 -0.990 -3.157 -6.259 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 -4.631 2.541 1.937 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 3.063 -6.918 2.167 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 3.946 -12.788 9.705 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 2.121 0.271 -3.670 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 -1.676 -3.087 -9.349 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 2.829 -6.514 -2.224 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 3.246 -12.481 6.702 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 21.211 -14.129 2.371 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 3.514 0.002 -2.433 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 -1.026 -7.841 -3.116 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 -0.892 -5.055 -11.422 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 7.751 -6.237 -5.555 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 -3.251 -1.025 -4.195 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 13.888 25.982 10.502 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 -0.253 30.225 24.396 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 2.856 6.417 4.768 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 5.232 -12.829 1.581 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 14.362 -0.253 11.692 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 -5.403 -1.822 -1.543 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 -27.550 -5.114 10.602 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 9.317 -6.102 7.215 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 0.157 -5.774 3.411 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 5.047 -3.223 5.453 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 -1.910 0.456 -2.714 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 -1.161 1.367 4.264 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 9.532 4.155 11.935 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 -26.920 1.949 12.257 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 0.359 -6.258 0.230 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 1.050 -3.304 -6.529 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 -1.258 -5.594 5.342 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 2.141 5.950 -2.141 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 1.047 9.272 -2.470 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 -15.479 -10.056 -17.397 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 0.828 -1.850 -3.782 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 10.494 10.628 -17.604 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 1.293 8.409 11.383 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 0.603 3.917 -0.998 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 18.576 1.119 0.872 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 7.928 22.772 -20.405 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 5.800 1.845 5.319 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 9.026 -2.670 -17.749 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 6.778 2.215 15.516 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 1.883 7.486 -5.269 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 3.633 6.902 -3.740 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 0.052 9.602 -2.945 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 8.689 -8.214 -12.500 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 5.719 -23.526 -7.537 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 7.835 -7.305 -7.292 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 -2.379 -0.322 0.749 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 -7.156 -3.177 -0.597 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 -34.033 -11.495 8.239 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 -1.227 0.014 1.842 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 -7.811 -10.505 -7.998 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 -16.089 -20.200 -1.765 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 1.855 0.279 -5.660 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 -9.019 11.567 -5.259 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 -8.151 -12.841 -10.925 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 5.332 -1.350 -1.773 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 -8.238 -11.509 1.082 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 4.541 2.553 -1.936 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 -1.098 5.676 -1.305 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 1.109 0.823 -9.641 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 -10.292 18.518 8.935 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 -7.240 4.249 -3.750 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 -14.925 14.310 -9.393 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 -1.372 -2.085 -9.777 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 4.037 0.629 -6.578 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 8.316 -3.111 -10.439 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 -8.956 19.539 -6.214 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 3.052 1.244 -4.568 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 1.535 -0.474 -15.497 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 3.535 1.951 -1.320 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 -3.482 -5.311 6.230 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 -5.804 -5.677 -20.244 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 2.284 -8.568 12.322 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 0.827 3.396 6.361 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 -16.310 8.042 15.725 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 -10.350 -2.640 28.684 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 1.757 -0.794 0.863 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 2.685 6.033 1.892 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 5.801 1.279 -0.182 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 3.774 -0.112 4.992 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 18.236 -2.100 3.191 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 -6.422 -0.250 8.956 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 0.195 -8.069 0.902 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 -14.190 -44.892 2.462 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 22.442 -3.058 30.906 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 0.532 -0.176 -1.288 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 4.068 -6.435 -12.476 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 -2.696 4.737 8.219 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 -1.818 -1.981 -4.812 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 -0.329 -19.851 -4.418 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 -5.888 9.951 -3.066 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 5.829 2.457 -0.405 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 5.295 1.372 -1.459 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 3.723 5.231 1.922 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 -1.196 1.060 -4.809 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 -8.562 1.872 0.389 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 -1.999 5.428 -17.959 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 -3.496 -6.811 2.049 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 -1.950 -9.554 27.936 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 -10.893 -4.163 -0.522 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 0.384 -0.680 -5.509 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 18.039 -15.144 -30.718 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 -5.421 14.951 -22.426 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 5.607 6.636 0.831 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 -12.909 5.614 -6.734 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 3.565 3.083 19.082 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 0.938 2.493 -6.706 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 20.986 -3.336 -4.482 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 11.501 7.120 7.111 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 1.266 -11.856 1.079 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 11.712 -21.366 -13.159 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 12.815 -24.652 -12.985 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 -0.801 5.954 -3.470 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 -10.167 15.527 -0.450 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 24.807 -18.858 -13.614 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 2.439 0.110 2.572 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 -13.835 6.433 -5.796 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 5.056 22.763 2.995 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 1.446 1.825 1.127 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 11.319 1.039 -10.856 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 6.704 14.293 7.016 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 -4.260 2.030 5.299 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 2.909 22.695 -29.148 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 -10.792 5.704 -8.722 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 -0.845 -2.273 -2.292 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 2.655 -1.880 -13.557 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 -11.054 0.051 7.585 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 3.937 0.566 5.106 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 -0.167 -0.678 -10.027 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 1.408 2.248 2.981 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 -0.716 -2.732 -0.084 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 11.486 -22.518 -1.387 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 14.120 8.802 -13.894 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 -2.776 -4.159 -4.682 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 1.834 6.725 3.531 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 3.481 10.609 -18.728 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 -3.210 0.558 0.542 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 9.021 -0.072 15.359 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 7.895 -23.333 4.107 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 -5.331 1.146 -3.191 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 -10.616 -9.077 -36.133 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 1.661 3.319 -6.424 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 -7.598 0.952 -0.042 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 1.384 2.639 -3.580 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 -8.226 -2.076 -7.679 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 3.678 0.278 -0.979 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 24.445 -3.116 14.483 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 8.797 -9.804 3.747 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 -5.802 4.513 -0.610 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 -7.254 4.512 -2.685 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 3.984 4.014 19.690 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 -6.321 0.460 0.209 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 19.926 27.843 11.747 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 3.440 -2.159 11.767 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 -1.085 2.719 -5.174 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 8.788 -5.402 -20.167 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 -3.404 4.047 -0.730 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 0.477 2.789 -4.690 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 0.948 1.306 -6.684 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 0.835 4.596 -3.877 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 -5.617 -5.132 -4.498 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 -7.506 -5.765 -1.190 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 -6.860 3.005 -9.041 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 -0.508 -1.968 6.867 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 11.681 4.252 8.906 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 -7.484 13.702 5.179 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 -1.022 1.978 -4.076 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 -1.092 0.568 -3.519 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 -1.758 -24.001 -2.529 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 6.962 3.307 4.130 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 -14.421 4.099 11.876 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 -28.898 10.167 9.327 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 3.966 0.450 -2.345 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 10.014 6.963 1.086 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 9.334 7.389 2.243 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 -3.227 4.760 0.372 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 -11.829 -15.128 23.732 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 8.125 2.887 -7.672 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 -1.476 -1.618 7.542 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 1.614 -16.070 -0.544 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 2.040 -19.648 -2.575 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 0.113 -1.349 -3.178 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 6.932 -3.576 -4.242 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 9.987 -2.670 -8.748 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 -1.366 -1.990 -1.065 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 18.548 19.574 -1.601 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 8.639 7.258 0.356 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 3.874 0.282 2.379 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 2.297 -8.413 -1.526 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 4.459 -5.589 6.801 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 0.774 2.408 1.898 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 -9.388 1.179 13.338 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 1.531 -2.399 -3.596 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 -0.945 2.667 3.245 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 1.137 -34.187 12.539 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 23.980 -0.949 -0.571 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 0.648 1.917 3.955 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 2.709 14.294 4.267 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 -5.367 -0.790 -5.031 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 3.950 -8.482 5.143 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 5.769 -0.040 13.932 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 -25.418 -8.133 -4.436 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 0.885 -1.962 -0.674 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 5.364 -4.224 14.564 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 9.370 9.725 -1.023 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 -3.862 0.750 1.133 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 -4.157 0.547 0.793 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 -0.437 -4.826 11.451 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 7.772 2.900 -7.205 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 23.656 -1.499 16.287 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 -4.428 -21.751 -15.270 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 1.603 10.440 -0.127 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 23.038 -7.865 -5.648 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 -10.580 9.363 8.892 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 3.349 -0.234 -0.111 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 7.186 -3.315 2.853 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 -6.213 -9.607 11.966 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 -5.322 -5.962 2.802 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 -22.845 5.188 3.970 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 14.336 6.112 1.865 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 -2.290 -5.165 1.551 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 -10.666 -15.082 4.648 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 0.415 -13.133 0.176 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 -0.697 3.955 -2.173 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 3.922 -1.264 9.485 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 -3.932 2.991 -2.304 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 1.751 -3.162 -2.692 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 4.028 13.641 10.313 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 -3.214 -30.042 -21.292 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 -1.860 -4.961 -4.787 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 3.879 -2.040 -5.162 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 -3.078 -11.116 -5.383 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 5.224 1.023 0.352 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 1.835 1.984 24.978 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 0.981 3.210 16.374 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 -2.051 -5.921 8.214 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 -17.924 8.883 -10.802 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 5.737 3.516 32.787 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 -3.632 -2.192 -1.063 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 -1.048 -4.838 -5.412 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 2.521 -2.263 -15.421 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 0.771 -1.286 -1.483 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 6.230 -7.002 9.273 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 -4.746 9.276 -3.495 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 -0.981 0.163 -3.100 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 13.302 -1.860 -13.710 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 -1.454 -11.332 10.651 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 1.954 1.699 -6.079 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 -9.426 -29.941 -5.523 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 27.395 2.041 -1.155 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 6.698 -4.322 -0.926 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 10.773 -3.956 -10.498 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 7.986 -3.971 -0.883 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 -3.554 -1.421 -0.946 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 -5.190 -1.268 -1.340 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 4.734 -12.616 -6.423 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 0.133 5.171 5.652 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 14.963 29.619 14.413 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 7.822 11.795 15.317 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 -3.593 -2.183 -3.567 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 -14.561 8.874 6.044 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 2.071 15.261 0.506 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 -3.870 1.151 0.594 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 3.030 15.441 -11.152 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 2.735 -13.333 -5.390 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 5.707 6.754 7.678 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 3.227 15.308 -4.828 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 6.313 3.915 17.672 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 1.565 1.210 -1.094 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 19.010 -20.595 31.620 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 -18.687 15.281 9.151 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 -1.718 2.782 7.719 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 1.407 6.944 -5.926 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 20.448 8.614 12.534 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 0.104 2.173 -1.026 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 4.368 7.643 -1.084 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 4.498 30.088 -11.485 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 -3.563 6.010 0.407 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 -4.780 17.733 10.485 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 -5.869 -10.406 9.298 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 -1.927 -3.290 -2.534 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 17.087 -11.956 -3.842 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 -1.750 13.769 -17.938 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 5.583 2.564 6.710 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 12.765 -13.913 11.322 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 6.079 1.700 4.758 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 -3.719 3.235 0.308 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 -14.832 -10.903 -15.294 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 0.517 -13.573 -16.330 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 0.150 10.763 6.405 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 3.379 3.423 -6.848 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 -11.431 2.733 -6.459 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 -4.908 -2.471 -2.294 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 -1.374 7.535 10.351 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 1.215 -11.846 -4.215 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 1.627 3.540 2.890 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 -4.993 3.513 16.865 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 4.735 -12.702 0.037 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 -5.691 6.015 3.944 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 2.034 -11.104 -2.897 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 -8.343 13.064 3.794 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 -6.358 4.376 -0.685 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 8.729 -5.297 -20.395 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 2.024 -0.512 -11.175 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 3.147 -4.698 0.050 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 -3.441 -6.946 0.027 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 10.401 -4.092 -3.495 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 0.545 2.251 -1.815 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 23.927 -0.024 15.207 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 -7.849 -1.888 -9.020 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 -2.992 8.291 -12.303 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 -23.066 -13.305 5.901 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 10.624 28.610 13.516 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 -1.553 -0.346 -1.643 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 6.529 -19.025 -8.336 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 -10.986 6.878 -7.640 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 1.235 1.875 6.357 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 6.297 0.412 4.968 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 -0.702 -0.389 -2.831 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 -2.882 -0.218 -2.377 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 -6.850 1.377 -19.529 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 4.766 -18.135 -2.314 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 0.069 -0.284 0.611 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 -18.113 7.575 20.671 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 23.237 5.616 -9.848 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 3.855 -1.327 5.729 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 7.305 6.986 7.427 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 -0.587 -3.974 -11.318 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 3.374 3.609 -2.869 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 -5.355 7.858 -5.462 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 14.805 3.900 0.330 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 7.781 -3.844 5.045 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 -27.799 -10.900 -5.641 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 -13.632 -11.910 1.074 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 -0.612 -2.403 -6.343 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 6.023 2.455 -3.228 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 3.877 -1.245 -24.352 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 -3.335 4.034 1.526 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 -3.209 -19.129 -17.107 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 -11.460 3.084 7.849 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 -1.103 4.789 -3.239 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 -3.733 -8.607 -11.273 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 13.765 1.507 3.670 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 1.055 3.746 5.383 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 -15.954 5.016 -8.151 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 2.107 -1.158 5.060 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 2.616 -4.046 -4.064 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 -12.456 -16.500 5.117 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 0.826 -7.575 5.655 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 5.700 3.889 2.756 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 5.105 4.346 2.499 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 -6.168 3.394 -27.127 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 -1.445 -2.717 -0.537 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 -6.903 -13.217 11.848 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 -13.893 11.394 6.666 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 0.002 -2.110 -0.617 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 -10.195 -1.033 3.293 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 -1.663 6.374 -17.641 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 6.604 -1.772 0.308 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 5.351 -5.849 -2.888 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 -9.602 9.139 -9.622 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 6.106 -1.666 2.532 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 10.381 -7.432 9.838 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 -4.995 -2.578 1.907 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 -5.449 -2.484 -2.164 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 -5.201 -2.746 -1.859 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 6.744 -17.881 0.336 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 -1.962 -6.035 -2.484 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 0.029 6.943 16.382 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 -6.922 -21.514 -0.651 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 -2.566 -3.273 -1.928 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 6.581 -4.316 6.649 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 14.464 5.610 2.577 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 -5.829 -3.668 6.836 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 4.813 -0.409 13.624 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 -7.772 -22.902 -12.877 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 -4.866 0.759 5.552 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 6.115 -7.579 8.221 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 -14.152 1.019 20.553 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 -1.576 -0.050 -3.540 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 3.274 -1.788 3.923 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 -12.851 2.584 -1.651 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 -1.554 -1.399 -4.095 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 -13.222 5.435 -8.120 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 -12.432 -7.775 -1.138 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 1.736 -0.761 2.747 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 -2.015 8.367 -1.839 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 2.569 15.921 1.729 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 2.800 -5.014 0.886 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 6.710 -11.944 -19.297 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 -5.728 -2.782 -8.048 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 0.957 -7.225 -5.175 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 2.897 10.801 -20.040 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 12.711 17.934 19.862 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 -2.218 1.349 -4.433 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 -7.651 13.929 -12.145 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 6.475 -3.621 23.178 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 -10.409 0.146 8.143 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 -2.290 19.086 -3.014 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 -4.187 10.332 4.405 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 0.605 3.586 4.633 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 16.767 -28.179 -10.404 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 -24.071 -5.984 1.219 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 -3.112 -2.648 -1.905 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 -4.557 -3.654 -9.486 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 1.356 -12.305 -0.677 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 2.400 2.751 -1.020 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 11.042 12.761 8.243 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 4.202 -18.623 -8.214 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 -3.004 0.162 -2.189 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 -2.400 4.561 -2.644 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 -4.705 -10.393 -1.609 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -1.987 2.974 4.090 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 -5.268 20.264 5.794 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 -2.029 -0.828 -1.427 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 2.598 -1.975 -10.610 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 -1.297 -1.595 -17.188 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 4.143 -10.095 -20.062 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 -2.533 -5.997 0.724 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 -8.627 6.414 1.753 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 -7.355 3.410 1.382 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 0.409 4.244 -1.095 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 3.535 2.590 4.405 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 13.112 8.786 0.407 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 1.514 1.776 -1.378 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 2.370 0.222 -1.888 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 2.818 1.096 -3.426 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 -5.445 1.913 -2.411 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 -10.278 0.293 -1.767 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 6.248 -14.794 -17.909 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 -0.743 -6.484 4.341 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 -2.467 8.806 12.497 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 -17.390 -19.345 5.410 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 -0.664 -1.078 0.312 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 1.290 -5.681 6.369 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 2.335 -1.610 0.625 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 -2.921 -6.165 2.745 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 28.627 14.451 -5.880 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 -10.621 5.623 14.592 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 -5.121 0.432 0.218 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 -4.682 -1.250 -4.054 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 -8.646 -3.988 1.959 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 1.412 -1.938 -2.451 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 1.103 16.840 -1.931 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 13.789 29.465 13.179 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 -0.028 5.374 -1.773 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 -14.792 -12.935 5.123 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 -5.807 -4.214 -15.450 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 -4.460 -0.817 0.597 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 -12.707 -4.288 -2.766 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 9.669 7.781 -11.435 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 0.569 2.354 -1.448 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 -9.965 -2.230 -15.340 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 -2.084 15.462 11.524 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 -7.102 -2.379 -3.100 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 7.965 12.868 16.856 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 8.483 -8.623 -7.078 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 2.788 4.128 -1.021 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 1.001 3.836 17.481 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 2.341 1.976 29.441 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 -7.256 -2.405 1.608 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 -15.570 30.113 -11.531 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 -13.163 27.598 -11.191 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 -0.352 -0.833 2.661 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 -14.864 8.292 4.106 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 -8.237 19.488 20.932 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 -6.446 6.960 -3.209 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 3.253 -11.156 -13.334 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 7.853 -21.524 -17.154 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 8.689 -3.914 -6.564 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 12.790 -1.294 -9.316 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 -21.141 22.639 13.589 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 -0.279 -2.502 -3.156 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 -0.376 -2.827 -11.963 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 -3.030 -25.750 4.901 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 2.284 -4.374 -3.016 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 15.926 1.007 -5.041 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 16.479 -2.066 10.235 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 6.405 -2.976 0.053 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 19.243 -24.456 10.586 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 1.982 3.754 -3.135 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 -0.089 3.890 -3.189 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 6.002 2.177 -1.159 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 -6.430 14.064 -15.137 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 -0.575 3.653 -1.855 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 -0.772 14.236 12.203 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 13.420 -1.293 -0.925 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 -1.069 3.458 0.637 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 -61.994 -4.887 18.475 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 14.662 -8.650 -10.128 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 -4.868 -4.931 -11.915 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 -10.236 -4.980 -6.465 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 -2.499 -1.511 19.503 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 -2.580 -0.282 11.334 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 -3.910 -0.545 12.819 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 -1.536 0.344 10.441 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 -1.120 -0.203 2.898 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 3.602 5.760 3.870 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 0.266 -8.318 -1.688 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 6.012 2.392 -3.477 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 13.480 3.330 -6.712 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 -15.506 -14.246 6.869 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 -2.005 -2.727 -4.092 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 -9.183 1.693 4.127 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 -2.555 4.466 -4.826 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 -8.786 2.151 -8.751 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 -17.712 14.542 -14.284 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 -4.933 9.276 2.065 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 -0.614 2.438 2.345 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 -19.610 4.429 8.648 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 -3.515 -22.649 3.371 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 1.596 5.918 0.556 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 -0.864 4.456 -10.876 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 -7.253 -8.040 17.631 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 -3.804 -5.430 2.965 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 -11.307 13.748 -6.195 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 4.507 -7.508 -1.341 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 0.454 1.328 1.501 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 13.668 13.072 -12.140 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 15.086 -26.891 4.849 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 -2.089 2.470 -0.279 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 -2.373 -4.609 -0.353 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 -4.774 12.321 7.800 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 1.872 1.895 -1.228 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 -8.873 -12.624 -10.594 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 7.180 12.871 -3.382 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 -2.473 7.605 6.450 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 4.619 -7.949 11.058 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 19.012 -32.609 2.097 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 2.145 -0.021 5.598 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 -11.733 2.848 -3.596 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 -16.549 -10.609 -5.300 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 3.770 8.233 -1.201 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 0.934 -15.079 -21.961 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 -7.102 -19.522 -12.299 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 -1.921 7.946 6.514 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 1.494 15.526 11.782 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 -11.406 -3.740 18.445 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 -5.556 -4.796 0.456 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 -12.815 -0.726 2.320 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 -14.189 -0.644 -0.331 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 1.479 1.742 -4.067 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 -2.091 -10.345 11.113 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 -10.621 -9.916 10.841 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 -1.535 -4.189 3.228 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 4.029 -7.957 1.575 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 -11.797 3.901 4.769 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 -1.250 -1.555 0.100 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 -4.981 -20.647 20.717 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 -4.194 -5.376 3.810 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 0.243 -4.071 -2.843 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 1.653 -8.618 7.554 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 13.401 -1.242 -7.087 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 -2.719 1.270 -0.037 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 -4.892 -9.526 -6.448 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 0.990 -4.027 10.539 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 0.543 6.120 -2.456 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 1.971 12.711 4.731 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 0.498 -2.843 1.763 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 0.248 0.572 -3.762 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 13.506 9.341 -5.942 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 24.207 -13.442 -0.958 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 0.604 9.140 8.338 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 -3.104 10.759 10.584 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 -1.907 7.865 16.349 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 -4.760 -5.143 -3.094 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 -8.760 -1.025 -3.067 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 -7.390 -9.384 -7.239 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 -0.832 -0.247 -0.891 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 9.343 4.044 2.871 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 -6.450 3.324 -0.021 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 -3.780 -0.950 -2.984 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 -2.695 -8.867 -12.504 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 -3.144 -5.862 -10.194 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 2.533 -9.163 7.210 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 -10.145 -12.090 3.848 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 -10.292 -20.970 16.990 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 -4.162 -0.604 1.328 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 8.182 -0.335 3.937 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 -8.588 -9.411 6.840 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 5.664 1.314 -2.942 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 14.428 5.965 -6.118 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 2.216 1.670 9.421 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 -5.477 6.445 1.460 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 7.600 -18.808 1.844 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 -7.124 19.566 -2.641 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 -0.870 -7.902 -0.418 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 -20.279 -14.285 12.244 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 1.877 -5.620 -5.581 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 -1.273 1.467 6.077 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 1.448 8.880 -13.378 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 -0.876 -4.817 14.033 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 -0.252 0.018 -1.127 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 8.749 9.112 -16.679 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 3.189 -11.115 11.631 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 -2.291 -0.679 2.848 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 7.488 11.308 1.176 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 -7.184 -0.401 -4.772 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 2.776 -1.074 -4.327 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 0.059 -1.188 -2.961 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 10.411 -2.912 -23.000 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 -2.207 4.272 -2.901 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 -0.912 -19.318 4.996 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 8.813 5.386 -0.411 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 -2.395 5.977 2.882 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 -4.997 -13.346 -38.824 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 -8.471 6.835 12.277 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 -6.608 -3.247 -3.983 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 -3.470 -3.045 2.695 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 -3.398 1.423 -8.431 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 2.074 -4.344 4.856 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 0.149 1.315 -0.157 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 -4.496 15.049 -15.908 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 -4.910 -6.725 0.930 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 -24.912 18.877 8.757 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 -22.261 16.840 10.075 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 -8.001 -2.981 -1.089 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 -9.433 3.907 4.407 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 -1.230 -5.917 -0.982 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 2.415 5.951 -4.441 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 -2.344 4.737 -4.196 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 -0.225 7.094 -2.206 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 -2.460 -1.169 -7.628 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 -4.583 -1.885 -9.445 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 -5.051 -1.746 -6.877 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 -2.809 -1.303 3.430 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 14.983 -5.372 8.557 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 11.515 -1.711 9.635 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 3.077 1.662 3.685 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 0.045 9.854 -11.719 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 0.511 -10.250 13.572 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 -2.346 -4.381 -3.086 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 -9.584 -3.281 -0.977 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 2.212 2.363 -0.228 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 -0.781 -2.150 -4.680 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 0.948 -16.196 -8.867 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 -12.616 1.127 -7.567 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 9.301 -7.459 -1.287 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 18.709 10.734 -2.268 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 7.847 -8.874 -5.573 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 -0.519 -5.346 -3.356 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 18.169 -21.947 -6.089 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 -12.473 3.892 -0.827 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 -3.873 1.557 2.446 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 -15.484 6.123 3.060 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 -3.976 -12.127 7.762 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 0.702 -0.007 3.046 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 12.179 7.844 -0.760 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 5.098 -6.877 13.906 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 4.503 -4.267 3.555 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 23.674 -14.875 10.972 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 -22.264 12.180 -5.049 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 7.897 0.765 -5.166 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 12.214 -25.698 -5.331 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 -6.828 0.121 -5.077 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 5.538 2.442 -1.420 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 11.339 4.274 -9.911 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 -2.286 9.281 -2.857 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 0.034 -0.213 -2.881 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 6.302 -28.525 -1.455 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 3.497 4.897 3.923 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 -3.186 -2.793 2.704 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 20.555 12.857 -13.958 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 -2.558 -7.484 13.040 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 -1.486 -2.387 -2.673 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 12.976 -10.503 7.686 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 -6.598 -6.445 11.936 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 -0.780 8.670 3.366 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 -4.162 14.612 23.343 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 0.925 -7.550 11.083 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 -8.491 -1.849 -0.903 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 10.978 -6.283 1.290 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 -6.361 -26.565 -7.146 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 4.026 -1.885 -0.648 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 10.284 -5.107 1.881 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 8.207 9.282 9.106 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 1.923 10.531 -0.528 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 5.321 9.816 -5.798 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 -4.818 7.599 -6.449 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 0.797 -4.741 -7.697 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 9.975 2.320 4.808 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 -4.732 -7.050 -9.817 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 -2.187 9.792 0.032 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 -8.433 15.807 9.603 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 6.271 -0.108 -10.602 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 -3.355 1.555 2.271 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 -20.636 -6.579 -9.775 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 0.360 9.241 14.163 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 0.963 -7.374 -5.055 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 29.423 -4.181 -7.249 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 -13.859 -21.952 -27.485 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 3.297 -2.599 -2.381 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 20.890 -6.530 3.769 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 11.018 7.188 -24.294 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 8.536 4.592 5.758 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 5.642 -0.465 8.664 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 3.913 5.339 6.061 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 3.385 3.538 -0.626 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 8.210 0.469 1.205 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 -3.257 5.483 7.274 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 -6.471 5.211 -4.307 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 3.940 5.676 -19.848 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 -5.026 -0.171 -6.065 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 2.279 -0.492 -2.315 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 13.680 -11.592 2.157 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 -9.153 -8.981 -9.196 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 1.170 -0.451 0.982 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 8.500 6.968 -8.289 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 -17.460 -5.676 14.423 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 2.443 -7.693 -1.537 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 -0.950 -6.272 -4.036 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 12.993 -14.394 2.766 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 7.691 4.531 -2.891 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 8.176 19.067 1.123 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 -11.870 8.539 -0.450 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 -4.328 -2.451 -7.862 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 -0.909 -32.537 3.058 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 -2.126 19.001 3.668 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 -4.856 -7.954 -3.067 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 -3.621 14.877 -12.793 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 -2.489 2.300 -1.589 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 -1.346 0.265 10.555 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 -3.464 13.323 -14.031 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 -26.300 4.388 20.539 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 -2.716 -10.203 5.431 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 7.511 -12.939 12.097 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 -3.364 -7.205 -0.928 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 -3.100 -7.306 1.351 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 -12.371 -1.502 24.077 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 1.385 9.516 -21.471 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 -5.431 -2.456 -3.623 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 -17.864 7.852 12.455 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 -1.580 -1.828 -8.675 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 8.107 -2.261 6.652 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 2.990 14.458 -21.043 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 -18.595 -3.225 5.930 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 2.238 -0.061 3.731 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 5.415 -1.690 0.416 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 -3.828 1.137 -5.113 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 -1.548 -7.559 -0.472 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 9.570 2.599 12.280 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 27.980 -4.560 6.711 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 0.177 -6.100 2.451 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 4.636 -14.341 3.270 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 36.100 -11.349 -0.762 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 4.419 -2.285 -2.709 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 -10.568 -2.652 12.949 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 23.008 16.801 6.856 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 1.564 -0.206 10.719 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 -28.698 7.912 -12.986 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 -3.622 -22.317 9.545 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 -0.155 -4.633 -1.589 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 9.675 20.568 4.810 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 7.721 -8.581 -8.996 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 -6.776 -3.004 -2.458 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 1.241 5.749 12.557 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 -6.196 -23.875 2.622 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 8.747 -4.241 -0.576 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 13.936 -12.759 4.303 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 1.961 -7.556 -12.322 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 0.004 2.458 -6.328 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 24.753 1.420 -6.305 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 -21.452 20.105 0.587 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 2.363 4.486 -5.283 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 3.952 20.300 8.322 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 1.079 10.363 -19.545 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 0.642 -2.580 -5.717 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 -0.245 -2.506 -5.158 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 0.037 4.810 -12.703 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 8.772 1.229 3.801 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 14.028 -2.521 5.286 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 10.287 -2.361 5.596 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 -1.191 -4.040 1.590 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 12.343 -16.281 21.012 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 2.548 -12.448 -18.680 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 -3.173 3.282 1.529 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 8.250 -3.824 -15.884 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 -13.447 22.799 2.231 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 7.115 1.581 -1.095 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 1.331 16.452 -13.009 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 7.701 -0.878 1.790 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 6.729 1.392 -1.276 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 20.375 -1.744 3.188 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 -5.766 -4.053 10.838 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 6.670 2.610 -1.051 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 -3.889 19.785 17.925 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 -14.796 -8.706 -10.922 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 -7.982 -0.744 2.164 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 -3.295 -13.362 17.984 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 -28.539 -0.255 1.489 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 -4.608 -1.666 -2.305 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 -7.587 -9.722 3.309 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 -17.303 -10.314 -3.565 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 4.368 -1.708 5.115 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 -7.025 12.397 11.133 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 0.566 19.079 -8.233 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 -3.265 2.377 0.356 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 15.581 -23.027 -0.185 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 7.111 -11.676 0.248 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 -2.862 -0.044 4.032 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 -17.539 -8.192 -8.873 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 0.131 8.638 -21.244 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 -0.807 1.770 -2.630 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 13.869 0.427 -19.273 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 10.438 1.209 -9.979 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 5.803 3.932 -0.762 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 -4.021 12.996 -8.847 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 9.816 -4.958 4.465 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 -7.027 -1.034 0.404 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 -8.981 -12.645 5.771 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 -9.109 -6.634 -7.601 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 6.728 1.617 -3.623 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 22.193 -15.700 -18.534 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 27.903 15.411 34.077 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 -2.454 6.805 -3.570 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 -13.679 7.731 -30.813 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 7.298 0.487 -8.349 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 -5.806 -3.939 -5.799 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 -3.838 2.694 -2.018 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 -1.766 -3.627 -8.979 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 -8.746 -0.647 3.313 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 0.238 -8.503 9.496 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 -10.734 -10.295 -2.914 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 1.697 3.342 -1.194 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 -14.241 5.046 5.738 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 2.704 5.666 3.000 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 4.212 -3.950 6.508 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 -12.757 2.167 32.340 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 -17.527 -9.459 -19.922 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 0.929 -0.801 -3.862 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 -4.257 8.932 16.718 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 -8.624 -0.990 13.001 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 -5.028 0.162 1.267 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 5.017 4.323 3.296 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 -24.204 -0.191 -16.037 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 -4.097 -9.320 1.779 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 -3.108 -15.702 11.665 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 -8.081 8.914 -2.733 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 0.699 -4.188 -4.365 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 -5.898 15.387 -23.281 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 -7.470 -27.359 -6.733 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 -5.878 -4.193 5.896 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 2.648 17.695 10.414 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 -9.803 -14.822 14.396 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 0.439 1.433 0.008 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 2.058 -9.328 -1.578 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 -11.706 3.572 -0.001 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 1.503 6.543 2.555 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 6.457 17.865 26.251 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 -2.076 4.146 -6.866 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 -0.768 -1.666 1.651 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 18.494 -9.214 -11.788 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 -2.743 1.921 4.751 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 -3.321 -9.334 -2.901 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 22.610 6.733 9.844 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 -14.061 9.654 -26.666 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 1.163 1.733 3.569 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 2.364 -2.775 -3.257 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 4.318 2.376 13.969 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 -0.364 1.651 -4.605 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 -1.859 2.031 0.864 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 2.353 2.574 13.543 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 -2.760 -4.951 -4.042 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 -12.133 7.939 5.538 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 7.873 -2.261 9.781 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 2.679 5.224 0.175 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 -5.700 5.520 -5.241 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 22.526 -6.637 15.961 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 -1.374 0.738 2.861 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 -4.351 -4.456 3.638 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 -5.869 5.080 1.540 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 -2.219 -2.514 3.589 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 -20.117 -6.161 -7.454 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 5.052 -6.982 1.181 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 0.626 -3.545 -4.096 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 -3.323 -24.099 4.625 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 -3.027 11.816 -4.442 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 -5.425 0.084 7.488 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 -4.830 -2.893 3.873 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 -3.274 -2.543 4.538 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 -7.709 5.255 1.825 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 -0.371 2.857 8.564 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 -31.311 -4.416 28.880 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 -2.422 -2.176 4.028 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 -8.003 -15.123 1.456 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 -3.397 -10.128 0.641 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 3.521 -2.619 1.087 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 0.203 -1.682 10.963 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 16.649 -21.080 -19.682 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 -0.488 5.911 0.785 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 9.493 12.214 -6.547 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 -18.087 0.888 13.997 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 -3.886 -2.592 1.296 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 17.635 8.853 16.456 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 10.695 16.032 -9.893 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 -0.046 -6.628 -5.020 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 1.035 -2.760 -10.772 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 -0.731 -6.155 -3.820 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 4.072 -5.123 -3.503 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 -5.726 -5.211 -1.359 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 -4.734 -7.441 -11.025 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 1.186 0.049 -3.540 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 28.422 -10.311 0.914 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 -16.165 1.657 25.739 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 3.392 -5.238 4.533 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 11.060 -6.793 8.024 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 -14.687 3.980 1.634 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 1.335 2.891 6.958 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 5.088 13.148 -1.609 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 -6.648 2.381 -0.672 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 -3.919 -2.263 -8.503 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 10.743 3.640 1.243 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 1.412 -16.140 -20.918 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 -4.408 -9.003 -5.677 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 0.123 -18.063 2.032 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 0.796 -18.220 2.235 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 -1.163 -4.775 0.737 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 -2.685 3.345 -7.946 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 -5.832 5.711 -1.799 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 -0.247 2.766 -1.083 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 -6.674 25.138 8.720 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 -7.265 12.823 10.002 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 -1.370 3.663 -0.264 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 3.047 -12.632 0.395 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 4.538 -4.191 2.177 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 -2.062 -1.355 6.677 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 12.646 -19.235 15.617 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 -8.837 11.326 24.803 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 -1.095 0.218 3.611 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 4.503 6.719 -8.754 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 -6.075 -14.163 -1.699 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 0.743 -4.297 0.314 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 5.859 -8.744 3.691 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 1.936 1.634 -0.005 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 1.326 -1.252 -4.395 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 14.787 6.264 -27.100 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 -9.397 -2.813 16.770 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 -0.506 -3.192 -0.989 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 -2.840 6.999 9.174 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 -5.801 14.764 16.441 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 1.402 -6.110 2.247 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 5.511 -5.841 7.753 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 -20.849 -8.150 -12.047 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 10.771 0.589 0.624 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 1.660 -3.775 -24.808 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 -3.376 21.051 -4.652 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 -5.062 -1.007 -0.299 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 1.746 -0.934 1.135 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 -13.033 7.975 -0.793 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 -5.176 0.404 -1.322 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 8.225 -0.701 7.566 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 -5.176 -12.976 6.325 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 3.983 6.186 7.522 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 7.178 9.989 -25.090 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 -2.965 -24.513 13.561 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 -3.141 0.873 -1.103 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 -1.249 9.665 7.203 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 -18.978 -14.355 18.327 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 1.263 3.024 -0.203 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 7.341 -2.671 -4.588 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 5.406 -8.009 -8.276 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 -4.381 2.660 2.440 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 7.036 -21.801 -3.756 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 -0.527 15.653 4.773 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 -5.607 -3.658 4.276 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 25.610 -4.058 -18.582 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 9.172 2.047 -5.138 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 -5.252 -1.752 -0.522 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 -3.889 -3.554 -12.060 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 -1.870 -7.772 5.231 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 -2.524 -1.402 0.280 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 -25.533 -1.381 5.984 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 9.655 -28.459 5.753 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 -6.138 -4.889 2.179 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 1.050 1.164 18.429 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 8.743 -9.734 -36.059 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 -2.088 -0.131 7.333 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 -7.949 -0.286 -16.700 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 -16.163 11.532 17.913 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 2.143 -1.589 1.497 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 5.118 5.246 -6.720 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 11.276 7.962 -5.593 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 -1.857 -2.844 0.019 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 -0.570 3.993 12.197 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 -3.275 -1.864 -15.784 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 1.320 4.722 1.272 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 5.543 17.851 6.885 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 8.900 3.773 8.272 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 1.157 6.751 -0.477 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 -18.783 12.859 4.954 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 0.178 -2.168 12.364 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 -5.332 7.634 -5.615 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 -15.775 22.759 13.589 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 11.773 -8.073 3.184 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 11.075 -3.475 4.939 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 0.200 -8.886 15.874 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 3.089 7.569 -4.470 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 -0.246 -0.399 3.371 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 -8.615 -8.688 1.101 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 -5.955 9.096 5.023 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 1.681 -2.064 11.787 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 0.737 -2.080 17.851 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 2.772 -2.113 11.605 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 1.802 0.300 -2.244 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 -11.234 14.314 -0.218 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 -17.657 -8.295 -3.550 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 -0.402 3.917 -0.546 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 -6.448 0.335 6.442 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 -4.987 3.707 -1.907 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 1.030 -4.044 -7.442 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 9.075 8.808 3.255 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 -3.700 12.435 24.648 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 -3.400 -2.262 3.612 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 -22.078 -1.018 -19.627 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 -3.225 -2.266 -11.470 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 -0.575 -0.654 0.471 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 -3.321 14.536 3.222 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 11.149 -4.043 12.505 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 3.370 1.634 0.923 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 11.420 -14.531 0.173 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 -9.271 3.546 15.482 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 -2.168 -6.578 9.613 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 -9.890 13.158 14.965 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 14.387 -9.559 22.845 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 2.409 0.214 0.399 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 1.870 10.311 -3.493 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 1.295 0.172 0.600 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 0.487 2.707 -0.717 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 -13.354 16.327 2.425 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 -2.648 -28.353 -15.728 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 -1.949 -0.935 -2.915 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 -1.775 -0.047 -3.870 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 -5.360 2.413 -3.800 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 5.924 0.791 -0.174 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 -12.222 3.957 -1.336 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 -12.161 8.133 -5.322 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 -3.712 -0.956 0.893 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 -4.442 11.739 -8.959 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 -6.726 8.321 8.808 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 -0.141 -4.881 9.501 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 -0.584 -26.585 -6.470 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 -12.355 -10.516 4.368 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 8.628 0.215 -4.682 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 -9.366 -0.500 -5.476 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 13.406 19.552 3.232 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 -0.934 0.742 3.862 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 -3.161 8.616 13.565 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 5.704 -16.506 -19.946 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 -4.061 0.430 -2.069 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 -6.510 -10.203 12.564 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 3.058 -7.183 11.539 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 -4.567 6.575 4.786 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 19.417 0.319 -14.634 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 -16.973 -15.305 -9.989 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 3.199 2.919 -3.212 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 6.298 -8.292 -17.059 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 9.600 -11.512 -11.957 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 -2.267 2.389 0.435 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 -5.690 5.342 1.190 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 -6.748 -6.095 -18.520 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 2.313 3.537 2.026 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 -5.692 -5.169 3.070 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 -7.270 -10.172 9.071 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 2.756 4.639 3.866 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 -2.528 -0.964 -8.626 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 -12.721 -15.130 6.137 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 -7.335 5.004 0.178 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 -6.045 -9.442 -13.338 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 -8.999 8.148 8.483 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 0.440 2.654 -4.931 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 -1.523 4.172 -3.657 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 8.725 8.520 1.221 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 -7.491 2.096 -4.252 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 -2.993 0.853 -10.584 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 -0.480 -8.155 -12.301 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 -3.124 -2.747 0.947 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 -10.599 12.537 7.386 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 -1.376 10.224 32.499 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 -0.793 -5.434 -1.214 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 6.275 6.935 7.024 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 0.393 -5.428 -0.939 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 8.171 -3.343 0.343 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 20.300 -24.636 -2.751 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 15.479 -17.369 2.944 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 -4.319 3.756 3.589 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 -7.464 7.312 -9.452 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 -11.183 -8.883 5.961 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 1.118 0.169 -0.848 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 -8.395 -7.810 -4.878 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 -7.380 4.642 6.837 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 0.826 4.591 1.344 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 12.848 21.715 -6.361 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 -3.393 23.113 -24.145 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 0.464 4.035 3.327 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 18.431 -5.789 -15.756 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 -19.963 -7.504 -6.980 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 -3.270 5.679 -1.479 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 -0.069 8.618 -6.525 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 -0.967 14.903 -4.043 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 1.820 6.182 1.988 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 -2.570 -11.408 16.853 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 -10.888 -22.099 -6.826 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 -3.785 -2.636 0.562 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 -11.528 -7.672 2.781 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 6.440 2.500 -1.990 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 -3.585 -3.582 0.995 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 -3.347 -8.374 1.167 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 10.814 4.549 -0.585 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 5.531 -0.027 1.318 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 -5.059 -19.455 -1.379 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 -1.086 -13.344 -27.657 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 0.178 7.863 4.268 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 -0.799 23.101 11.249 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 3.069 0.549 7.084 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 -5.296 1.245 1.894 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 -2.626 12.503 -0.979 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 -8.662 2.644 -0.102 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 -0.617 2.183 -5.160 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 -19.650 -5.244 -31.029 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 10.504 -11.474 -4.710 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 5.578 3.759 -2.392 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 5.988 8.456 -4.771 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 13.719 -14.760 -17.740 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 -6.253 1.721 -2.006 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 -8.501 -6.545 -0.741 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 1.420 1.496 -11.766 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 -0.712 0.479 8.055 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 -8.460 -6.919 -10.198 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 12.833 4.137 -3.000 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 2.637 3.165 4.733 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 11.909 -14.666 -10.543 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 1.387 3.299 -1.278 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 8.581 10.291 0.900 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 -5.261 -8.546 11.095 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 29.424 8.398 20.443 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 0.638 -3.069 0.048 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 -39.498 -10.334 -10.000 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 -10.620 -1.013 2.410 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 8.808 -1.459 -3.307 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 15.591 -9.544 -3.193 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 0.185 -5.063 -3.489 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 4.030 -1.174 3.716 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 -7.270 9.623 11.127 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 3.475 -0.405 3.782 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 -3.331 3.699 2.672 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 19.404 29.067 3.754 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 -23.203 9.721 8.277 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 -2.289 -0.145 -1.965 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 9.730 14.284 -13.347 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 10.760 -15.247 -3.479 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 -4.854 0.719 -2.500 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 -11.601 6.944 15.374 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 6.611 5.383 -5.076 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 -1.715 7.636 -0.600 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 10.564 26.034 13.448 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 4.367 6.552 0.573 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 5.268 0.781 6.631 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 5.685 -7.408 2.290 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 3.191 5.490 9.348 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 2.773 -3.179 -0.265 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 4.695 -9.157 -4.709 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 2.470 -6.017 4.418 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 1.228 -3.502 0.327 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 19.106 17.035 -2.832 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 4.850 1.799 19.941 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 5.748 -4.699 -0.570 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 -2.191 -13.667 -8.483 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 3.044 20.033 2.894 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 -5.108 0.946 -4.782 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 14.938 -4.099 11.584 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 2.032 0.559 -11.081 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 -8.050 -1.387 1.814 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 12.538 -15.040 28.070 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 -3.667 -0.144 3.859 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 1.599 3.044 1.702 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 -3.398 -2.186 10.766 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 17.868 -3.871 -12.977 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 7.485 1.093 0.564 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 11.079 26.290 9.307 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 -16.488 -21.830 3.285 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 0.655 -0.080 5.542 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 -4.890 -7.275 10.973 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 -0.667 0.561 4.602 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 -0.536 -0.757 -2.814 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 -28.602 8.718 -4.378 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 -31.368 15.929 5.884 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 3.672 3.148 5.419 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 -5.590 -4.992 19.891 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 11.465 -7.351 18.495 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 -5.986 1.612 -1.634 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 -2.485 0.638 -19.751 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 7.216 -11.132 8.243 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 -3.083 -6.757 3.455 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 -26.217 13.419 -0.602 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 14.935 12.498 16.315 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 7.977 6.277 -7.883 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 8.764 6.574 -8.559 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 15.029 -7.736 2.238 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 -7.809 -8.717 -2.946 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 -3.804 -20.904 -2.866 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 -9.639 -5.933 9.810 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 -1.689 1.960 3.345 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 17.189 1.048 -0.156 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 -9.049 17.416 -5.562 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 -1.015 -5.925 -2.694 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 0.477 9.184 -17.193 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 -1.369 2.465 -5.870 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 -1.643 1.218 1.363 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 16.768 6.501 11.248 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 0.374 5.845 -17.114 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 -1.067 -3.568 -2.558 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 -25.174 1.219 -8.955 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 -15.644 -9.775 9.213 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 6.030 -2.164 -1.440 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 6.324 -3.495 -21.094 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 1.863 -2.804 -10.767 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 -2.533 -2.699 3.068 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 -6.050 -1.963 12.504 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 -0.107 -11.568 -7.235 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 -2.002 1.787 1.310 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 5.602 2.249 13.913 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 -1.516 -15.183 -12.899 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 -1.271 -2.487 -3.317 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 -15.186 -13.423 1.639 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 -2.419 -17.497 18.496 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 -5.754 -2.840 8.288 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 18.065 -6.241 -4.388 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 9.297 -8.659 13.466 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 -4.124 1.648 -2.558 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 4.143 -8.417 -27.975 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 -7.141 10.092 -15.305 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 1.356 -8.488 3.400 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 -5.193 -17.795 11.686 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 9.072 2.126 -7.220 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 -3.535 -3.350 9.168 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 19.956 -12.319 4.615 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 -3.247 12.931 -2.371 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 2.999 -3.417 -2.400 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 22.384 10.688 1.689 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 6.301 4.169 -13.560 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 -1.338 -1.759 -2.454 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 -0.249 4.500 -1.719 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 -1.794 -16.668 -1.533 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 1.542 3.061 -7.477 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 -8.935 -0.278 -12.659 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 7.090 11.789 3.242 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 -7.869 3.014 -2.898 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 -7.573 3.989 -6.774 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 1.803 1.240 9.087 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 1.433 -2.564 2.372 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 -7.146 -1.979 6.637 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 6.462 -3.462 9.973 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 -8.840 -4.328 5.122 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 -13.130 -11.501 2.220 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 5.729 -0.858 -15.180 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 -7.242 -5.530 6.463 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 -6.038 -4.271 9.483 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 -16.641 -0.770 25.777 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 -4.281 5.603 2.713 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 1.174 21.577 -7.829 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 14.365 -3.555 8.961 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 -1.148 -0.415 -1.509 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 16.290 4.598 -2.119 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 -29.209 -12.949 -16.930 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 0.217 -1.105 -3.841 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 -20.520 -11.212 27.441 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 -2.054 23.814 -19.234 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 0.579 2.269 -1.030 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 -9.612 -3.697 -21.664 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 7.502 11.189 -14.754 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 -7.347 -2.259 -1.947 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 -0.587 -6.198 -6.633 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 -6.576 -11.586 -5.415 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 -4.520 1.784 -1.875 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 -14.069 18.635 21.141 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 -20.063 -27.175 24.197 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 -1.932 -2.079 -0.728 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 -9.707 -8.476 -11.504 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 2.802 0.002 -6.686 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 -0.551 -0.829 1.787 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 17.746 14.313 0.708 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 -0.339 3.378 -36.374 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 7.093 2.527 -3.048 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 21.660 -2.687 15.029 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 -3.964 -2.183 -6.111 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 3.217 3.653 -1.988 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 -22.022 -14.813 10.792 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 -1.979 -2.041 1.110 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 -0.499 -4.812 -4.537 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 13.056 0.509 11.211 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 -1.017 -7.528 -24.624 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 4.096 1.732 -2.043 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 14.021 -3.899 -0.388 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 22.639 -8.616 5.755 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 6.558 -3.218 -4.625 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 -5.327 7.969 20.622 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 -15.746 -5.915 25.324 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 5.647 -4.380 0.523 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 2.003 -4.056 -4.112 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 -5.952 -7.032 -17.502 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 -0.631 -5.518 -7.579 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 10.969 1.893 -4.617 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 -8.064 3.017 -12.660 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 -1.619 -0.540 2.145 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 11.306 -2.086 -12.207 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 15.349 -7.939 0.160 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 -2.889 1.198 6.127 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 -5.304 -12.415 2.865 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 9.791 2.934 1.507 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 -2.917 -4.599 -1.869 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 -22.267 -0.615 16.609 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 15.207 -9.748 -14.885 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 -4.300 -2.132 -0.603 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 26.467 7.413 5.105 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 -6.449 -13.905 -9.240 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 1.404 -1.947 3.413 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 6.445 2.393 5.911 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 -6.219 3.082 9.556 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 1.592 -4.137 -4.511 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 17.760 -9.719 -8.495 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 13.696 -9.983 -6.642 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 -0.191 -5.322 -0.980 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 -22.731 5.710 -0.845 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 -1.466 -23.652 -46.670 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 -8.217 1.636 6.069 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 -0.679 -13.233 -2.158 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 -8.460 -3.163 5.435 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 1.598 -4.171 -1.493 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 8.724 -10.898 -20.651 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 -11.017 1.470 0.492 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 -7.530 4.643 -1.272 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 12.746 11.589 13.956 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 10.846 4.126 25.148 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 -4.453 -2.168 -7.223 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 -18.171 9.709 -19.335 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 6.749 1.065 5.616 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 4.425 -2.544 -2.787 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 2.674 -12.319 0.239 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 5.987 -1.721 -6.797 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 1.701 -5.159 0.255 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 3.890 -6.062 -7.249 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 -18.714 0.099 -14.519 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 4.009 -3.612 0.746 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 1.140 7.061 0.317 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 10.378 3.922 -5.315 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 -2.823 4.315 4.972 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 -0.958 -5.052 12.828 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 10.694 -1.514 -4.477 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 1.322 0.540 0.323 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 -12.662 -17.724 10.317 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 14.181 14.139 7.073 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 -0.493 -4.474 7.646 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 -0.365 -16.079 2.657 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 3.395 25.234 -10.521 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 2.563 -2.182 -0.612 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 12.357 1.663 -6.441 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 -6.430 2.612 20.505 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 2.437 1.428 0.706 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 19.299 -16.042 16.522 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 14.261 -10.693 6.709 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 -5.034 -2.638 -1.296 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 4.308 -1.434 7.318 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 12.171 -7.815 -9.086 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 2.997 -0.192 3.142 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 11.148 11.226 11.788 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 11.759 -6.404 -5.005 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 0.694 0.843 2.811 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 -3.235 7.407 -2.936 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 10.655 -18.197 15.731 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 0.636 5.386 -3.486 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 -15.969 9.209 9.724 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 19.120 16.743 8.663 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 -1.436 2.157 -1.205 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 5.132 10.547 -14.526 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 -9.223 -7.456 -4.898 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 0.118 -5.636 5.131 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 4.571 -5.552 -20.866 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 -16.399 1.935 11.018 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 3.037 2.795 3.198 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 1.975 5.133 0.330 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 0.617 0.122 0.930 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 -0.809 -1.532 4.881 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 15.769 -7.276 -3.997 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 -12.318 -2.308 20.756 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 -4.437 5.032 3.255 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 -20.881 11.321 29.326 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 -16.744 -16.800 7.730 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 -6.522 1.706 3.849 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 4.597 1.363 -10.655 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 -8.664 -13.485 -1.872 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 4.532 3.754 -0.523 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 -40.780 -0.010 18.571 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 3.189 12.634 -5.387 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 -6.631 0.710 -13.085 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 8.837 5.245 6.013 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 7.808 19.775 7.429 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 4.691 1.932 -1.299 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 6.899 5.035 -6.373 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 -9.444 -9.205 -5.603 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 1.277 -1.363 3.187 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 12.778 0.594 1.732 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 -8.598 -1.735 4.525 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 -1.578 -2.660 -4.739 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 4.957 -4.082 -0.908 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 -8.227 3.407 3.498 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 0.146 5.289 2.857 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 -5.955 1.564 0.950 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 -10.812 -2.196 5.097 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 5.831 3.123 -2.377 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 21.733 -22.108 -2.317 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 1.655 9.637 25.478 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 4.725 11.269 -1.968 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 9.962 20.096 10.635 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 3.495 36.390 12.218 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 0.289 3.041 3.229 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 2.670 -12.903 -19.212 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 -17.789 23.434 1.977 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 0.303 3.253 5.652 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 -3.901 8.556 9.203 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 1.110 6.218 9.544 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 -1.440 2.433 -0.410 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 -26.775 -1.478 -6.300 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 -10.455 4.562 29.555 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 7.070 4.669 9.976 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 5.545 -0.506 9.525 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 8.050 -3.065 11.262 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 -5.161 -0.642 -1.152 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 -11.847 9.162 -13.421 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 13.593 1.077 12.288 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 -4.979 10.577 -2.144 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 9.652 21.595 -5.023 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 12.744 -1.347 6.050 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 -0.639 -4.679 6.856 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 3.098 -13.492 0.472 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 0.592 10.898 14.475 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 4.679 7.393 -1.464 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 8.959 2.431 -8.956 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 -3.337 15.313 17.354 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 2.751 -1.386 1.759 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 -2.316 -21.811 12.499 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 -2.850 4.566 -24.290 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 3.237 -2.104 -9.144 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 -14.197 -13.334 -0.490 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 22.678 0.867 15.959 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 1.438 5.229 6.197 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 -15.839 -2.546 -8.108 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 17.462 -12.927 -4.150 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 0.380 -1.171 -2.146 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 3.341 3.297 -5.941 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 5.965 -7.858 -7.183 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 -2.990 -6.038 -3.596 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 13.887 -7.221 8.945 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 21.973 -3.274 14.744 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 -0.605 6.151 -2.491 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 -11.003 19.564 -28.511 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 26.552 -6.955 -8.935 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 6.383 0.343 -6.002 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 2.001 6.939 0.881 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 12.124 -3.440 -11.838 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 -3.605 1.516 -0.403 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 -10.207 -21.012 9.802 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 -10.582 19.945 12.267 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 -6.660 4.205 -0.656 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 -8.974 -0.456 -19.659 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 5.372 3.595 27.252 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 -1.757 -4.596 -3.784 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 -6.369 -1.581 -14.281 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 -0.628 -17.028 -4.239 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 -4.074 -4.296 1.067 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 1.187 -6.373 -13.358 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 7.572 2.347 3.709 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 1.142 1.743 -5.602 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 -2.888 -30.061 15.831 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 0.703 20.740 -5.859 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 1.385 -1.230 4.380 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 -1.386 -7.009 24.420 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 -10.959 3.331 13.210 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 -2.863 4.455 -2.833 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 9.936 0.593 -6.534 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 3.349 2.164 6.762 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 -3.366 -0.756 -1.639 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 7.186 16.607 -21.353 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 -6.965 -9.983 7.465 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 0.167 4.666 -1.674 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 -8.976 8.951 -4.825 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 4.603 7.883 2.784 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 0.744 6.159 1.764 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 -28.561 11.303 24.869 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 -7.873 -6.900 -35.340 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 -3.754 0.418 -3.025 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 -10.644 7.246 -3.357 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 -17.148 3.012 8.506 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 1.386 -7.971 0.363 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 -8.900 -4.703 10.992 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 19.405 -15.894 -20.115 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 -0.656 -0.943 1.915 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 16.021 -9.832 -14.808 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 -19.146 -18.190 3.329 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 -2.969 -8.424 -4.153 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 -30.210 -11.013 -19.787 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 8.348 -6.396 -13.039 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 -2.447 4.232 2.717 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 2.546 6.916 5.356 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 5.560 18.051 5.087 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 0.424 -3.275 -0.276 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 -6.414 7.600 -8.257 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 -17.927 -6.033 8.874 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 4.672 1.425 -0.754 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 -0.850 0.430 -2.520 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 -0.102 7.830 -39.188 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 5.843 -4.935 0.981 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 6.717 -4.706 2.638 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 4.646 -5.009 -1.085 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 -4.988 -6.182 4.530 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 11.240 -13.079 -16.017 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 0.346 18.322 7.657 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 0.972 -1.757 -4.447 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 18.271 -13.497 -12.066 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 -14.215 10.445 3.112 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 10.506 -2.300 9.862 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 -3.306 -2.566 10.926 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 -2.066 7.586 26.440 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 7.248 0.253 -0.027 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 5.913 8.410 5.883 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 12.686 -16.114 -14.222 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 4.487 0.633 1.092 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 -8.901 -8.219 -3.486 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 3.174 -10.312 5.651 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 5.009 -3.583 3.723 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 2.909 -4.790 -4.396 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 24.087 12.802 16.822 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 3.875 -0.137 0.363 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 -3.804 -3.522 -6.042 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 -34.733 -12.664 -20.779 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 7.469 2.439 -8.101 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 -8.563 -17.722 18.242 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 -0.024 2.535 -11.982 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 1.038 1.832 3.970 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 -5.612 5.867 -26.320 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 2.276 1.870 -8.956 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 2.095 1.312 1.027 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 8.053 6.876 -8.039 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 0.337 9.529 6.702 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 0.964 5.617 3.229 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 5.948 5.576 1.326 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 6.210 8.238 -0.729 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 -1.822 3.578 0.826 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 -11.452 0.458 -4.373 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 9.664 3.316 9.830 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 -4.034 -6.592 1.927 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 0.010 -28.659 12.143 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 3.611 8.119 -6.274 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 -0.047 -4.930 5.746 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 36.381 3.998 11.250 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 22.745 14.790 10.988 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 3.585 2.484 -0.722 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 -3.523 36.202 7.676 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 -21.280 8.298 -23.630 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 1.061 -3.392 -2.844 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 -0.354 26.972 14.882 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 0.743 -13.674 13.571 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 0.189 1.086 -2.631 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 -26.147 18.375 5.944 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 -6.616 -24.584 10.170 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 4.286 -4.606 -1.995 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 -5.019 -2.149 2.865 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 -20.113 -0.369 -7.096 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 4.031 3.265 -0.902 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 1.850 10.070 2.062 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 6.012 -1.275 -2.194 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 3.876 -6.716 0.920 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 -10.446 2.855 -4.965 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 16.514 2.488 17.765 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 2.043 -3.197 -0.191 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 -0.230 -15.287 -4.594 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 14.609 -4.447 7.169 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 1.982 -3.466 3.493 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 -9.530 -23.403 1.422 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 6.048 -5.346 25.300 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 -0.044 0.132 2.184 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 3.878 6.824 2.818 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 -2.202 -4.834 -0.512 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 4.998 -6.533 3.956 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 -11.253 -16.388 -5.099 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 12.677 13.492 12.725 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 -3.195 -0.680 5.272 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 -3.386 -2.340 4.725 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 -4.403 1.050 4.268 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 -1.952 -5.399 -2.517 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 5.517 -14.331 11.203 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 9.746 -11.102 12.698 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 3.845 -4.817 0.430 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 3.030 -14.506 -11.373 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 8.282 0.967 29.968 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 -0.553 7.250 -7.303 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 -4.613 7.671 1.674 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 -12.460 3.889 5.496 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 2.213 3.292 1.858 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 -0.608 2.289 16.468 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 3.061 5.911 0.917 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 -0.271 3.567 4.050 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -9.151 11.113 24.372 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 -18.876 -8.040 -6.857 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 2.696 -2.566 3.552 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 -33.211 -5.778 -18.972 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 9.302 -5.309 5.303 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 -6.739 1.390 -2.818 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 1.434 2.088 -12.690 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 -9.085 -1.308 -14.914 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 -4.265 3.477 5.849 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 -11.089 1.043 6.338 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 1.012 6.851 11.911 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 3.466 0.570 2.716 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 -15.280 -7.055 -16.392 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 14.597 17.124 -3.666 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 -2.160 -4.179 0.298 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 3.143 0.193 7.852 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 23.296 1.271 29.351 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 0.841 0.266 0.243 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 -1.529 -8.642 -1.256 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 -9.495 -14.151 -14.058 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 0.307 6.110 -4.664 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 -2.256 -2.639 -3.802 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 5.776 7.624 2.254 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 1.041 6.835 -3.678 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 -29.936 28.214 16.615 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 0.820 -8.034 -9.509 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 -2.325 2.571 -3.260 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 -10.217 16.070 -18.110 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 12.600 -8.254 0.653 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 4.662 3.954 -2.540 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 2.036 -0.377 9.142 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 17.999 22.618 -6.901 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 -3.721 -1.906 0.682 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 -8.416 -6.471 3.309 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 2.026 2.442 0.136 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 6.447 1.781 0.012 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 -3.610 17.369 -0.814 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 0.948 -2.969 10.470 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 -1.689 -4.375 0.795 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 2.360 -1.933 8.275 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 14.898 -3.080 9.980 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 -2.005 -0.576 1.464 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 7.719 -8.850 -0.125 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 -0.105 -5.619 -9.892 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 2.762 -1.901 -7.084 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 13.254 6.803 11.184 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 -4.341 -26.370 -31.754 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 0.270 -2.002 -5.486 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 -5.572 4.554 -6.261 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 6.069 3.316 3.032 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 5.141 2.071 7.574 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 13.170 -11.407 -1.178 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 15.755 18.063 -0.254 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 -1.015 2.114 -0.315 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 26.696 0.580 0.918 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 26.408 23.896 12.476 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 -3.999 5.605 0.536 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 -13.669 13.333 -0.309 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 16.313 -10.145 4.258 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 -3.824 -2.036 2.920 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 20.871 3.704 3.912 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 -17.459 0.532 8.506 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 -0.700 3.803 1.262 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 -12.168 4.167 4.708 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 28.316 2.845 -9.927 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 -2.842 -2.746 -4.463 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 -6.148 18.879 -12.733 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 -2.636 10.561 6.367 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 -1.494 5.334 -0.747 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 12.523 11.572 10.742 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 -5.988 -9.086 -5.092 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 2.334 3.304 -2.014 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 -10.886 7.118 6.115 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 16.032 4.383 -12.764 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 -3.830 0.844 1.297 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 8.682 3.206 -10.152 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 -11.624 2.145 -15.358 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 1.787 -1.751 -7.160 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 10.898 -15.134 15.631 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 -7.766 -8.609 -7.431 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 1.174 0.305 7.649 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 -7.411 14.853 25.345 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 10.747 -11.058 -13.498 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 3.268 1.506 1.447 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 -5.945 4.329 14.856 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 -5.611 -15.764 -6.105 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 8.213 -1.961 2.091 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 4.837 -7.523 -0.569 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 14.808 5.509 12.054 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 -0.642 0.325 1.757 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 -3.451 6.356 2.723 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 -9.164 -3.427 -0.924 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 2.330 -2.557 -1.853 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 17.381 1.792 -8.341 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 9.178 0.928 15.778 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 4.349 6.083 2.558 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 -8.456 10.630 8.076 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 -20.301 -3.902 0.485 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 -4.719 1.843 5.040 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 -0.914 6.163 7.182 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 -9.008 1.744 9.662 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 -1.170 -0.332 3.505 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 1.143 13.995 2.467 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 4.685 -1.787 6.740 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 -12.643 4.143 -5.659 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 22.608 -5.486 -3.287 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 3.139 12.929 6.817 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 -5.586 2.154 2.040 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 19.653 -4.183 -2.460 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 22.404 17.094 25.909 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 4.632 -1.121 -0.996 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 8.547 -0.256 2.983 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 1.615 12.379 3.657 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 1.431 -5.091 6.566 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 13.495 4.485 25.086 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 -4.127 -6.231 -0.536 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 -0.713 -4.118 1.281 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 10.695 8.516 -8.096 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 -0.889 -12.724 6.687 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 5.438 -1.712 3.540 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 41.603 -18.045 -4.205 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 -7.075 15.440 10.571 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 1.355 -2.895 -3.337 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 2.203 -1.951 -5.559 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 0.665 -6.253 0.346 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 -1.086 -0.310 -3.346 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 10.328 -23.608 2.981 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 24.060 10.423 -9.234 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 0.766 4.129 -5.157 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 11.727 -15.785 -15.527 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 4.536 5.280 -10.896 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 -3.224 -1.509 -1.349 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 12.754 7.283 12.245 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 13.618 31.798 -11.254 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 -0.587 -0.392 -2.695 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 -6.068 11.278 4.401 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 5.539 23.627 -5.977 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 2.964 -0.111 0.853 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 10.602 4.716 9.358 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 7.187 -4.094 -9.545 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 -1.421 -5.975 3.023 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 -6.895 -21.274 13.491 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 -12.368 0.341 -2.599 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 -2.755 3.693 -0.130 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 -2.354 -1.853 5.383 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 3.790 -3.111 -18.295 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 1.073 2.012 1.497 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 12.779 -7.743 -2.975 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 11.710 2.479 -26.364 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 7.027 3.900 8.832 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 -2.102 -0.451 6.796 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 2.879 11.257 23.343 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 -0.373 3.431 0.824 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 -5.983 -6.669 4.058 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 -0.731 -0.389 3.810 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 6.027 -1.013 3.635 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 3.648 5.298 -4.770 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 6.564 -18.676 10.206 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 7.931 -6.706 -1.839 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 12.190 0.931 -12.749 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 9.850 10.087 3.818 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 2.520 -3.339 2.155 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 7.042 -20.905 1.128 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 -10.089 4.857 13.615 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 2.441 1.235 -4.134 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 -5.043 -10.932 -6.983 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 5.678 6.997 -0.651 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 -2.457 -1.563 -6.550 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 -1.017 -30.166 -13.266 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 0.034 2.278 12.641 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 3.128 -0.778 -7.504 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 -4.553 -11.633 -12.616 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 -10.056 30.660 -26.529 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 5.729 0.884 0.140 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 -0.298 4.400 -18.992 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 18.908 9.170 -1.020 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 -10.634 0.515 2.212 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 -12.927 -2.708 -8.663 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 -13.346 -3.206 25.020 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 2.362 -1.494 4.025 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 9.665 -6.769 3.186 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 6.843 -8.588 11.148 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 -12.329 -0.850 -1.191 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 -9.671 0.242 12.371 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 -12.108 -0.403 -9.229 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 -4.180 -3.946 5.249 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 -5.934 -5.495 8.990 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 -7.071 -1.966 -6.007 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 4.480 0.783 -4.300 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 19.645 -6.508 -7.101 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 -24.397 -19.069 -20.766 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 6.329 -8.088 -0.378 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 1.896 -15.596 -18.391 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 9.459 -1.653 13.656 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 4.438 5.085 1.383 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 3.197 27.292 11.511 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 -15.301 -7.273 -7.057 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 5.306 4.360 0.273 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 -8.737 30.856 27.639 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 3.596 14.978 -10.050 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 -2.142 0.533 0.845 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 -4.475 3.101 2.693 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 -9.945 -2.168 7.080 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 4.512 8.241 4.727 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 31.148 -7.356 8.208 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 29.794 3.103 31.024 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 1.720 -3.370 -6.837 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 -12.262 6.488 20.883 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 -24.507 -9.993 -10.848 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 0.362 -0.399 -2.871 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 2.296 9.060 3.317 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 1.463 -5.161 -14.534 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 1.678 -6.796 -3.235 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 -19.789 -35.074 2.063 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 -15.837 26.842 19.798 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 -1.280 1.762 6.567 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 -27.827 -8.171 15.455 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 14.363 12.634 0.201 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 -0.856 3.011 0.740 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 -10.019 -10.652 -19.593 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 -5.380 3.521 -5.635 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 1.668 0.820 1.842 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 -10.272 -14.137 -2.067 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 5.719 1.143 -15.630 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 -0.272 -0.403 -2.364 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 9.715 1.879 -15.710 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 -11.448 0.985 -0.662 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 0.065 -0.995 -3.785 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 3.478 2.236 4.532 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 -15.371 -14.420 1.796 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 8.430 -7.658 -7.687 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 21.968 -6.192 -11.476 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 -7.972 22.444 -16.478 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 -9.821 -0.078 2.312 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 7.515 11.727 4.481 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 -11.373 -13.425 -1.501 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 8.524 -0.576 6.426 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 15.317 19.984 -13.698 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 6.729 -19.429 15.621 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 -2.983 -0.303 -0.002 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 -0.540 0.927 3.345 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 -14.577 -2.617 -13.409 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 0.700 4.553 -2.411 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 2.300 -1.215 -8.137 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 19.160 -2.342 -14.559 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 -0.918 -6.536 -4.861 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 14.530 1.383 0.533 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 3.279 -8.905 -6.011 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 1.162 0.769 2.148 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 -4.157 7.563 3.998 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 7.366 -0.852 -4.188 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 3.826 0.960 0.262 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 -0.259 -5.223 24.771 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 21.663 2.983 3.410 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 -8.053 2.112 1.711 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 -19.169 -7.972 0.605 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 -5.044 4.386 9.052 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 3.709 1.783 5.533 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 11.347 -14.858 7.715 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 -0.260 15.690 4.631 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 -1.638 -2.797 2.306 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 -7.907 8.040 4.745 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 6.339 -10.886 -5.284 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 2.529 2.004 6.379 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 -1.127 2.832 -3.675 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 -1.843 -8.350 8.414 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 -4.260 -6.103 1.658 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 -2.628 -10.973 1.847 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 -15.498 28.707 7.902 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 0.335 -4.291 -2.274 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 -21.349 7.127 -9.202 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 5.039 -1.880 15.618 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 0.355 2.300 -0.689 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 -4.767 -9.405 -4.345 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 12.135 0.120 1.488 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 0.159 1.747 3.330 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 9.642 -6.330 15.651 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 -6.734 16.207 11.230 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 -2.771 -0.223 2.839 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 7.156 11.987 8.195 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 5.110 -9.708 -4.188 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 -0.537 8.987 -2.574 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 -9.468 25.343 -0.011 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 14.232 -16.535 -13.317 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 -0.573 -6.454 -4.498 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 -13.586 -23.753 -5.169 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 0.939 -18.047 16.761 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 -3.187 2.024 -1.015 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 2.506 -2.191 1.461 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 6.688 -26.690 0.454 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 4.602 -0.012 -1.678 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 -7.955 12.143 -23.448 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 16.162 -24.882 25.680 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 1.236 -3.818 1.355 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 -2.615 -10.806 -11.594 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 13.427 -1.852 -0.133 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 4.141 4.973 -0.007 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 -0.891 19.005 -1.769 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 1.052 -2.436 5.416 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 -0.764 1.594 1.860 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 18.948 6.564 8.190 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 1.189 -11.337 -7.845 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 3.735 -0.221 -2.618 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 1.020 -11.322 2.844 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 -8.855 3.740 -6.761 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 -1.072 0.251 -3.597 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 -0.180 2.259 -4.773 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 6.894 18.241 -13.919 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 2.733 2.196 4.831 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 12.728 1.488 -0.706 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 7.839 35.220 -10.674 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 -3.083 -3.434 -2.081 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 1.967 2.747 10.709 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 2.932 9.227 22.446 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 3.700 0.115 -1.015 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 -6.753 -3.928 0.144 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 -16.566 -7.740 -5.412 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 2.025 -7.851 -6.096 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 -14.099 -9.247 -3.153 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 -6.626 -7.020 -5.441 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 -3.042 -1.797 -3.126 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 -15.224 -27.687 -4.308 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 1.369 -1.845 0.008 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 0.103 5.841 2.283 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 5.273 7.817 -1.580 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 7.383 -7.200 7.534 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 5.713 -1.388 -0.273 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 4.077 2.414 -10.571 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 -12.848 3.371 9.533 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 3.541 0.739 -0.870 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 6.789 -8.960 15.406 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 -0.948 -2.719 5.739 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 6.951 0.320 -1.452 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 -0.949 0.552 -23.631 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 3.670 3.396 0.457 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 -4.409 1.902 0.456 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 -4.823 -0.169 3.220 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 -1.485 -2.451 6.230 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 1.842 -4.419 -3.144 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 2.086 -2.479 -10.180 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 27.420 0.092 -3.855 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 -5.125 1.174 0.477 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 -14.058 14.135 -3.953 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 15.490 -9.523 4.026 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 1.194 -3.067 -5.246 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 -0.292 -0.180 -6.372 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 -0.272 -14.347 -15.731 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 -5.383 -5.516 -0.994 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 -17.199 14.880 -14.185 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 8.484 -15.279 10.305 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 -0.647 3.398 -0.237 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 -23.005 -8.896 0.011 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 9.943 2.436 0.738 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 -5.449 0.245 6.844 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 -5.741 0.294 7.566 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 0.225 -2.609 -0.038 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 -3.518 2.808 -2.187 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 5.070 10.299 -1.163 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 -14.124 8.015 4.686 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 6.159 -0.799 4.369 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 -10.577 -4.986 30.152 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 12.349 -30.696 -3.744 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 5.758 -10.498 -0.362 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 -1.822 1.644 -18.912 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 -1.760 2.822 -20.597 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 1.921 -0.781 -1.037 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 -11.725 3.499 -3.317 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 -1.959 -20.158 -10.244 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 -2.788 -6.747 -1.401 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 -0.329 -8.806 1.155 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 -3.642 -11.243 0.389 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 3.711 -2.267 12.019 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 2.932 -2.234 15.317 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 3.834 8.887 12.780 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 6.286 -4.832 -0.612 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 10.380 -0.710 16.248 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 -9.743 -10.986 14.116 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 -5.170 -1.375 -3.071 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 -25.272 3.283 4.510 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 -4.479 -10.779 -25.784 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 -2.211 -4.147 2.077 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 -18.000 9.717 -20.336 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 12.899 -3.560 2.529 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 -4.995 4.003 5.850 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 1.209 27.610 35.472 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 9.154 -7.129 -20.669 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 2.382 -4.690 0.579 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 21.737 -1.149 -1.278 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 -2.315 -5.224 2.837 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 -6.872 -2.417 4.012 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 -5.381 -5.443 4.861 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 5.792 20.481 11.893 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 3.160 1.514 -0.771 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 -2.518 1.079 1.538 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 11.206 4.992 19.731 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 1.395 -1.362 10.334 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 -13.354 -1.061 5.598 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 4.375 -1.701 6.630 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 -0.450 8.911 -1.160 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 18.732 9.984 -13.230 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 6.106 -35.333 31.843 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 8.128 -1.559 4.346 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 -0.248 -11.534 -15.546 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 -10.773 7.897 6.888 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 0.058 -2.775 -2.110 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 13.400 -7.132 -14.724 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 10.773 11.685 13.789 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 -4.157 0.542 0.269 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 -1.731 -5.413 -0.452 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 -0.661 3.743 2.449 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 -6.779 -5.213 5.584 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 -3.204 1.334 5.563 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 -5.053 -2.354 20.724 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 0.722 -0.888 -2.608 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 9.745 4.612 -11.337 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 -15.005 -4.891 -3.406 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 3.542 -1.673 -4.123 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 -6.571 -5.393 -4.287 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 3.711 -0.918 -4.372 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 -2.296 1.611 0.869 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 -12.460 -0.070 17.029 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 16.108 8.226 -16.260 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 -0.732 4.567 0.348 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 -31.546 7.324 0.936 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 0.268 -15.210 12.968 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 2.187 0.767 -2.846 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 7.032 -1.613 -0.138 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 13.938 -4.507 3.074 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 2.700 -0.336 -2.081 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 -3.968 -14.026 1.169 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 5.825 6.513 3.855 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 -1.850 9.134 0.308 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 -4.127 -4.712 -7.214 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 -11.146 -8.510 4.333 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 2.463 -3.616 -0.991 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 1.150 4.690 1.285 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 -1.789 9.247 8.106 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 1.689 -0.422 2.933 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 17.908 0.199 -26.415 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 -9.256 -5.997 -15.626 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 4.172 -4.577 -4.020 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 -5.271 -21.684 3.154 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 17.031 1.857 -1.284 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 3.917 -0.308 -5.429 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 15.329 -16.150 -9.580 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 -22.352 -4.252 13.997 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 1.160 1.925 -7.794 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 6.811 -1.866 -15.577 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 7.151 1.441 -8.311 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 6.813 1.038 4.580 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 13.338 -6.450 10.695 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 -3.521 -6.789 4.676 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 -2.981 1.183 1.622 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 0.938 5.236 4.471 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 -13.571 -10.357 -2.701 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 6.331 5.189 -0.592 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 -5.571 16.583 9.967 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 0.632 -4.185 -1.060 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 -2.193 0.085 -7.754 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 2.222 11.496 -0.542 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 0.432 3.617 -7.306 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 4.284 2.978 0.169 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 17.886 -4.306 -9.407 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 0.404 -2.884 -4.349 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 2.425 -3.908 -3.286 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 -6.767 -7.798 -2.661 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 -7.626 -4.051 7.343 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 1.608 0.935 -0.503 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 12.505 7.094 -2.297 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 -7.501 14.995 -5.838 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 -6.834 0.709 9.153 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 -3.207 -8.680 3.720 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 -6.818 -1.017 28.947 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 -5.416 2.804 -1.786 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 16.277 17.152 0.664 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 -17.186 10.128 4.832 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 -3.667 2.833 -9.401 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 4.200 15.393 -12.007 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 2.113 2.508 -10.735 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 4.868 -6.166 -0.346 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 9.711 -3.131 13.956 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 1.400 -17.174 -3.980 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 2.704 -0.640 5.124 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 -0.780 -14.318 1.060 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 -19.821 -5.961 -10.179 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 -6.246 -4.648 4.283 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 -6.789 -15.893 -4.177 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 5.110 21.605 1.650 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 -4.384 -4.338 6.070 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 3.892 -1.188 16.603 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 11.923 -2.668 17.345 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 3.063 4.270 -2.352 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 -11.283 -5.853 -7.104 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 10.799 6.515 -18.634 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 1.359 -1.301 1.513 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 14.941 -13.940 -11.947 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 -6.891 11.073 -1.981 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 -1.065 0.834 -7.358 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 -6.670 -14.522 5.315 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 -5.863 -4.266 -4.679 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 -4.077 1.056 -0.094 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 -12.661 4.710 4.839 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 4.057 -5.414 2.402 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 0.879 -0.575 -4.533 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 0.542 15.013 3.459 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 -1.974 9.033 1.131 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 -5.033 -3.824 -1.504 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 3.419 0.956 8.781 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 -13.406 13.751 -3.440 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 5.403 -3.264 4.230 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 -16.090 -8.861 2.259 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 0.213 19.352 6.526 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 0.770 1.629 -1.381 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 6.461 9.006 7.183 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 -6.347 -2.076 -11.778 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 -0.058 -4.736 -2.516 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 -20.277 0.575 7.112 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 -29.085 9.268 16.986 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 0.200 1.540 -4.599 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 -0.239 -7.078 -8.161 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 11.363 11.482 -0.874 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 -7.341 -6.854 2.246 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 -6.140 -1.589 6.181 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 -1.058 -9.017 14.175 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 -4.300 -1.807 1.288 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 -7.995 -2.945 -9.335 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 -6.140 7.937 4.202 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 -0.791 -2.422 -1.469 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 -6.618 17.910 -8.515 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 -10.945 -15.242 -16.453 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 0.406 1.658 -1.041 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 8.032 -12.345 1.450 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 3.977 9.191 -7.224 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 -3.588 5.908 5.611 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 -2.785 6.582 0.081 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 -5.574 2.731 17.904 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 -4.908 -3.259 -6.302 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 -19.346 3.703 -19.482 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 -1.164 29.555 12.745 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 5.539 -6.650 4.178 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 26.938 7.363 -10.235 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 -26.335 -6.763 -17.262 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 -1.208 -0.689 -1.142 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 4.881 15.237 -9.518 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 -10.568 2.070 28.840 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 3.929 -1.357 -0.455 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 -4.037 9.969 -1.463 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 12.032 -5.725 -4.172 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 -5.062 3.753 2.621 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 7.530 14.389 36.789 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 -9.546 14.404 13.040 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 3.470 3.405 -1.794 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 -17.924 -19.882 -12.399 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 11.188 20.951 -8.704 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 4.541 -1.329 0.468 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 -3.326 10.029 -3.974 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 4.199 -5.837 8.115 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 1.405 5.480 -0.303 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 2.366 9.066 -0.819 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 0.298 23.945 -1.496 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 -4.991 0.400 2.754 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 16.171 5.883 20.372 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 -17.740 20.882 12.040 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 -3.845 0.120 2.269 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 6.811 6.672 -7.781 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 -6.935 -15.813 15.403 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 -0.511 -2.320 -0.175 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 -1.652 -4.140 0.799 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 -43.789 -8.269 19.815 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 -0.764 3.571 4.589 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 6.359 -1.189 4.876 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 3.347 8.609 8.271 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 -4.381 0.731 3.216 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 -6.129 2.578 3.268 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 -11.541 33.074 -9.046 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 -6.232 -2.012 -3.388 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 -4.451 -2.373 -15.932 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 -16.782 10.942 -16.644 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 0.896 2.945 -0.134 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 -3.716 2.220 -2.461 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 0.052 -0.813 -17.299 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 -5.477 0.222 -0.055 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 -12.656 4.324 -6.787 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 5.472 -0.737 -0.036 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 -5.695 -0.543 5.944 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 19.984 6.024 19.373 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 -2.729 -35.338 -6.572 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 -6.722 -2.496 -0.120 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 -14.009 0.016 12.401 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 -3.245 -6.271 -11.518 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 -2.255 1.949 2.207 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 2.435 -1.105 -5.104 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 -1.758 10.346 -10.943 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 6.758 0.276 0.899 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 -0.607 -1.097 2.309 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 -13.557 18.413 9.115 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 -3.885 -3.835 -0.071 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 -2.446 -0.494 1.510 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 -1.512 -19.442 1.753 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 1.186 0.086 4.873 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 0.586 -0.742 4.589 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 21.119 24.286 12.069 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 1.861 -0.981 1.415 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 -3.856 -18.024 1.711 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 5.350 -8.450 3.349 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 1.117 -2.574 2.146 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 -0.605 -6.888 5.604 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 -1.977 -9.429 7.080 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 2.695 1.092 5.061 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 0.058 0.846 -20.050 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 10.425 18.697 15.340 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 -2.122 4.632 1.360 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 3.365 7.413 -2.013 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 -7.661 14.107 4.423 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 -2.098 -1.880 -1.675 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 16.436 6.793 5.793 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 0.122 -8.007 -17.733 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 -3.893 -1.557 2.080 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 -1.405 -17.859 -1.130 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 -19.363 20.256 10.299 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 1.981 1.924 -3.372 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 -1.207 13.754 -20.637 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 14.242 -1.143 31.871 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 -0.717 -2.351 2.347 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 -8.417 4.748 -6.878 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 22.657 10.255 8.570 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 7.617 1.230 3.433 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 3.090 -4.767 30.031 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 15.398 -5.087 -9.349 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 2.423 -0.805 3.467 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 6.224 4.921 12.942 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 4.107 -15.068 -11.972 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 -1.785 -1.539 -0.572 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 -8.251 -5.132 19.149 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 -18.888 -8.499 -10.296 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 -1.003 -5.937 2.432 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 9.507 -16.225 -1.539 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 14.715 -11.954 -15.438 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 4.123 -1.053 -5.272 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 1.021 2.227 -3.797 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 -0.957 -13.148 -2.588 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 -2.539 -4.362 -0.619 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 12.382 7.091 -12.502 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 14.007 1.045 -20.240 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 -1.116 -1.638 -3.507 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 -30.237 34.041 5.142 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 19.372 -16.191 -4.473 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 0.383 0.228 -2.567 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 -1.250 -13.152 -25.013 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 3.276 5.870 11.321 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 -5.089 -5.184 -2.149 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 14.826 -27.297 -14.575 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 2.897 -9.051 -8.143 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 -0.382 3.482 -4.245 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 -3.376 -1.354 -6.180 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 7.087 7.377 -5.661 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 7.147 4.563 -1.325 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 -8.080 0.639 12.933 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 11.043 5.493 -7.461 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 5.587 2.962 2.537 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 -18.010 26.255 9.658 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 -5.690 2.518 3.429 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 3.642 1.652 -5.363 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 2.703 5.794 7.327 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 5.964 -2.292 -18.425 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 -0.446 -0.847 2.063 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 26.863 -10.025 -3.434 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 -19.952 22.804 5.777 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 -1.079 -4.841 -4.172 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 -6.302 5.397 7.110 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 -13.220 -2.201 -19.751 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 3.129 -3.182 -2.632 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 -9.285 15.304 16.508 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 20.645 0.984 -3.611 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 5.007 -2.095 1.235 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 -11.495 -8.125 15.409 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 13.154 12.306 13.288 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 9.750 -2.990 6.222 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 5.225 7.246 2.439 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 5.553 -10.361 -0.803 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 -0.058 2.580 1.209 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 -6.482 3.815 -10.019 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 11.858 14.595 8.870 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 -4.422 1.011 -1.097 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 -0.277 1.209 2.398 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 -22.949 0.306 8.207 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 -1.531 -0.554 2.972 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 0.722 0.889 -6.913 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 1.304 -3.843 10.729 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 -0.091 4.236 5.032 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 -7.317 -9.227 30.897 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 2.413 7.317 0.972 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 2.371 -1.070 -4.702 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 10.597 -23.252 23.821 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 28.901 2.945 -6.882 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 1.907 -4.588 -0.455 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 -7.164 1.159 -6.561 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 -23.450 7.691 16.053 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 0.452 0.152 -1.317 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 3.405 7.384 -1.512 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 -11.114 1.347 3.533 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 -5.158 -2.356 -2.658 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 17.952 -13.658 12.521 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 -4.007 27.026 0.777 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 1.383 -1.985 3.173 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 -10.490 -5.480 7.332 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 10.203 7.964 0.545 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 2.019 -1.068 -3.178 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 1.081 6.368 10.491 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 6.706 -15.846 -4.840 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 -0.676 -6.781 -1.962 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 -13.311 -15.254 8.271 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 -7.607 4.504 -20.482 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 -1.937 1.272 -1.988 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 -0.280 7.205 -6.546 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 -7.334 1.726 -5.214 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 10.298 2.839 4.166 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 -10.828 12.361 15.990 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 0.052 3.155 -2.047 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 0.471 -1.697 4.064 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 -12.787 -10.087 6.119 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 3.811 -1.230 -3.558 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 0.047 2.516 9.650 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 6.765 1.734 13.466 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 -11.137 -21.561 11.725 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 -0.838 -1.412 -0.647 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 -6.747 -0.709 -6.266 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 -11.460 9.402 0.600 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 4.665 7.218 -1.347 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 14.575 7.573 1.603 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 6.896 23.341 -4.951 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 4.671 4.201 2.679 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 13.705 13.932 -7.595 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 -13.780 -14.678 22.148 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 6.103 -4.674 -2.854 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 10.418 3.236 -5.958 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 4.285 13.889 -15.842 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 -5.447 -2.491 -6.125 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 -11.417 11.507 -26.564 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 -9.583 4.013 -16.886 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 0.016 -1.069 -1.070 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 -9.250 18.489 -26.404 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 19.918 8.296 3.224 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 8.422 2.308 1.155 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 13.237 -1.443 4.214 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 10.212 9.843 0.175 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 -0.596 -5.841 -5.333 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 -9.079 -11.215 -3.174 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 9.047 -13.764 -8.395 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 1.450 4.892 -1.178 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 1.862 -9.797 -15.932 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 2.156 0.411 8.378 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 -2.724 5.666 1.014 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 2.739 20.956 8.734 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 10.320 -9.854 -13.245 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 5.124 -3.084 7.030 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 5.492 8.739 10.542 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 -11.934 -7.008 8.960 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 -4.063 2.005 -4.221 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 6.455 6.940 -5.748 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 7.863 9.563 -5.780 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 0.712 -4.105 5.034 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 3.377 -5.445 1.434 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 -27.962 1.765 -1.556 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 -3.768 0.306 -4.631 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 -9.133 3.619 -0.716 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 -7.829 -4.786 -7.837 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 -0.348 -1.493 -2.638 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 5.607 -6.398 7.438 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 2.853 -2.188 1.718 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 -1.096 -2.647 9.760 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 1.522 15.969 -28.781 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 4.865 13.178 -7.423 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 -3.314 -0.954 0.784 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 -0.575 11.927 7.954 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 -28.054 -0.484 -6.617 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 2.031 2.923 -3.556 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 4.272 4.384 1.700 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 -0.749 -2.481 -26.026 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 3.010 6.368 -0.082 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 -8.574 18.710 -0.766 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 13.413 -4.039 0.469 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 -4.576 1.980 1.314 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 1.456 6.137 4.902 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 -8.975 9.247 -5.982 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 2.943 1.497 4.309 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 9.918 6.364 12.326 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 -6.563 -5.265 -2.924 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 -2.130 4.108 -2.432 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 4.402 10.222 -3.665 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 -17.236 5.510 -5.651 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 -3.714 2.684 1.924 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 6.050 17.640 -14.281 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 -7.335 -1.244 6.560 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 2.975 4.135 8.645 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 -5.263 -14.089 -22.854 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 10.627 -16.059 12.453 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 -3.502 -0.445 -4.136 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 -0.313 -4.079 -15.703 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 -14.880 4.773 -20.355 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 2.660 4.769 1.771 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 -0.721 -11.858 7.230 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 -4.755 12.334 -9.778 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 -2.936 1.148 -0.158 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 -7.027 12.351 -3.462 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 7.454 -22.147 9.028 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 -4.881 -1.077 5.234 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 5.899 -11.212 25.678 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 30.994 29.254 -18.363 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 -2.941 -2.971 4.152 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 -14.022 -13.136 16.632 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 -10.670 1.254 -3.238 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 -3.332 4.613 -2.094 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 -3.208 9.590 -4.545 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 -1.866 10.188 -3.980 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 -4.699 -8.000 -0.772 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 9.403 3.085 27.032 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 -20.332 -12.771 -0.073 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 4.472 -1.386 0.321 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 1.618 3.917 3.091 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 7.269 -7.536 2.411 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 4.836 -3.173 1.944 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 -0.987 -13.602 14.137 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 -8.497 -26.449 20.933 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 -0.792 0.985 -2.093 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 -10.827 1.602 -2.639 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 -10.528 2.367 -1.144 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 -1.525 6.128 2.847 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 14.117 -1.932 -3.188 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 -6.983 10.765 16.688 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 6.362 0.971 -0.594 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 1.797 7.713 -3.538 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 19.825 -7.394 -30.108 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 -2.516 1.932 0.941 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 -19.223 -3.323 1.932 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 4.297 10.591 -8.214 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 0.460 -10.069 10.384 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 4.052 -27.022 -5.893 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 8.182 16.651 -0.442 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 7.760 -2.325 -1.104 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 9.995 -4.023 3.698 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 -2.231 2.977 -16.297 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 0.468 -1.274 -5.198 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 4.533 -13.286 -8.022 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 -6.039 0.290 23.629 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 -2.222 1.932 -5.826 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 -2.414 7.774 -6.776 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 9.185 -6.670 -8.078 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 -3.108 -1.868 -5.481 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 0.009 -0.906 -1.350 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 -5.785 3.338 -10.286 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 1.369 0.646 -3.925 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 8.429 -2.182 10.062 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 -0.051 4.082 -3.235 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 5.802 -1.250 1.867 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 5.409 21.244 5.307 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 6.727 9.196 0.603 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 -0.091 -3.939 -5.530 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 1.820 7.973 -5.522 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 0.957 25.045 -4.491 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 -2.924 -2.462 -1.915 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 4.439 27.217 -1.084 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 1.384 2.038 -8.423 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 4.219 -4.174 1.606 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 -5.853 -10.418 15.329 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 19.011 -10.072 -18.080 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 2.795 -1.758 0.699 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 16.173 22.724 -16.540 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 -6.882 -14.377 10.165 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 7.434 0.982 0.883 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 2.821 15.801 0.561 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 15.099 -13.753 -9.293 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 0.862 3.057 0.517 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 0.979 -10.508 5.016 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 -0.950 -2.720 -12.047 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 -1.009 -1.278 -3.972 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 9.418 4.642 4.903 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 -4.620 -4.661 -8.293 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 11.084 2.330 1.451 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 4.546 -2.909 3.557 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 0.108 -14.991 15.543 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 -0.309 -1.466 -3.051 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 -1.440 1.353 0.270 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 2.720 -11.865 -0.819 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 3.285 1.493 -4.352 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 6.716 7.128 0.543 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 6.775 -5.610 -2.044 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 -1.180 -1.258 -2.624 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 -10.141 -0.099 -0.332 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 -4.253 -3.737 -6.160 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 -2.697 -4.887 -0.119 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 -4.726 36.747 2.198 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 8.843 15.406 12.473 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 -9.091 2.598 -0.918 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 -13.017 17.233 -17.974 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 5.333 -5.562 -4.393 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 6.487 -1.358 -1.607 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 6.593 1.459 -0.855 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 21.613 4.036 -18.494 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 4.219 0.833 -2.286 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 -7.800 27.556 -7.366 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 -17.568 18.831 -15.881 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 -0.390 -7.803 -1.108 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 2.614 7.362 -10.626 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 -7.353 -10.361 -11.373 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 0.184 -6.716 2.256 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 -0.976 -5.651 2.976 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 4.983 -10.979 6.265 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 7.556 0.142 1.724 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 -2.112 -2.525 6.908 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 21.878 5.000 -5.887 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 -4.665 0.716 0.763 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 -4.564 -2.290 3.021 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 -7.096 4.623 2.175 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 2.068 -3.595 2.577 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 3.148 15.297 -0.863 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 0.033 -12.385 6.305 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 -4.630 1.920 3.408 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 -6.118 2.548 0.665 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 14.224 -35.549 -13.223 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 1.454 -2.525 3.725 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 17.391 31.855 12.998 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 0.521 -9.331 1.752 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 0.641 -0.461 5.815 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 0.014 -5.229 5.513 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 -7.364 5.105 1.794 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 5.925 1.891 -1.947 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 16.634 14.317 20.229 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 -11.584 -20.918 4.621 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 9.203 3.706 0.020 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 3.918 7.625 3.623 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 19.676 -9.962 31.592 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 -1.186 3.665 0.805 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 -9.798 5.865 -3.754 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 1.633 5.812 2.179 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 5.732 1.940 7.899 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 -15.145 -0.942 -22.078 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 -6.521 10.574 29.088 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 0.440 6.457 -1.695 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 -15.444 6.810 -4.571 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 -5.027 13.208 7.661 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 1.027 7.444 1.080 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 -38.858 13.868 -10.996 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 2.405 12.448 10.538 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 1.050 -0.304 5.753 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 2.623 -12.501 -13.571 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 -2.232 -21.212 -50.477 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 1.600 0.023 8.753 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 -12.216 28.010 18.096 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 2.406 -8.455 -1.945 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 5.022 -2.452 -4.652 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 6.513 -0.446 -5.477 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 4.914 -1.779 -3.032 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 1.483 -3.427 -2.707 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 -9.005 -32.226 11.624 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 0.225 -10.769 -0.930 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 -0.197 -1.230 0.081 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 2.630 2.804 -18.931 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 -22.403 10.956 20.225 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 -2.328 0.235 5.085 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 -18.727 -7.370 5.133 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 -5.624 -6.963 -11.981 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 1.713 -0.144 0.716 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 3.729 -6.025 -5.367 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 -1.886 -3.801 18.509 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 -5.401 2.724 1.791 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 4.292 10.620 5.559 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 -2.854 2.542 2.044 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 -1.222 6.684 0.461 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 -29.960 -4.733 5.280 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 10.037 11.294 -0.477 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 0.298 7.442 -5.331 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 -7.973 15.198 21.985 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 -9.118 11.209 -1.916 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 -1.875 2.533 2.855 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 -22.486 11.556 12.473 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 -23.621 -6.856 3.037 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 -2.016 1.086 -6.973 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 5.819 21.107 9.603 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 -2.106 0.388 -7.181 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 3.036 1.530 6.105 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 -9.376 11.859 -0.059 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 13.665 -24.049 -6.694 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 2.837 -3.708 -5.634 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 -12.304 14.148 26.517 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 14.306 -6.924 -10.222 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 -4.226 -9.169 4.370 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 -8.315 -8.008 4.503 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 2.364 1.695 -22.240 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 3.431 4.393 -11.975 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 -7.404 -3.021 -11.323 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 0.722 5.649 -18.536 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 -1.502 -3.725 -4.753 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 -44.351 6.315 13.670 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 5.380 -10.215 4.219 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 9.866 -3.986 8.420 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 20.315 -4.351 0.824 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 10.440 7.439 4.800 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 -2.005 3.586 -1.630 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 14.210 -8.266 -17.033 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 -24.587 -0.550 -3.873 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 -0.029 -0.691 -0.012 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 1.772 -10.752 -3.782 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 9.709 -42.210 -6.370 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 1.174 -3.112 2.791 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 4.194 -1.306 0.377 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 1.031 -0.715 6.652 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 4.927 1.754 4.383 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 13.660 12.490 5.057 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 15.037 8.676 0.285 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 1.408 -2.636 -1.090 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 -17.825 10.848 -25.540 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 -3.404 1.762 -0.989 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 0.844 4.747 -8.897 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 -1.371 10.212 -11.576 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 12.673 4.066 5.057 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 -5.951 -5.754 -2.336 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 1.949 13.839 -23.309 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 -15.494 -26.315 -16.793 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 -0.155 -3.454 -4.577 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 -2.713 -9.161 -3.433 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 -25.623 -17.478 -1.413 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 1.586 -3.305 -5.958 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 2.666 -3.853 3.008 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 -6.198 5.952 -8.682 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 0.925 -2.994 1.333 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 6.829 -3.301 -0.938 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 -4.910 -10.013 0.266 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 2.461 -6.949 4.214 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 -2.385 -9.731 11.035 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 -5.115 -16.204 -0.354 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 3.118 -3.031 -6.887 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 12.022 6.016 -1.632 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 -4.699 -0.778 0.558 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 0.032 2.354 -0.880 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 -1.430 3.868 -3.021 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 -6.294 -8.077 11.346 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 -2.930 -1.809 2.262 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 0.901 -0.386 8.174 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 -11.229 -5.106 2.766 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 2.498 -1.395 -5.839 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 1.123 8.029 3.087 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 8.799 3.090 -9.763 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 -0.263 -1.939 -1.994 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 -16.095 -12.718 26.605 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 -24.150 8.489 -18.848 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 -5.866 0.941 -3.328 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 -14.741 2.133 -0.535 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 2.273 -12.998 -3.995 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 5.681 -2.458 -3.932 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 6.278 8.304 2.013 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 -0.645 -9.493 -3.214 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 0.201 -3.068 -0.569 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 -1.972 -3.299 -16.206 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 -16.430 -7.636 -8.636 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 -5.271 2.479 -1.113 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 -6.005 -4.536 5.800 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 1.356 15.803 -30.557 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 -0.659 6.703 -2.063 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 13.274 -10.095 -3.108 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 31.249 18.753 7.259 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 6.997 -4.020 -1.781 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 -2.844 9.105 23.017 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 -5.829 12.904 -12.292 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 3.158 3.401 2.249 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 -1.516 -14.540 18.157 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 -15.453 7.496 -11.204 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 -0.423 -1.612 -0.474 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 4.897 8.430 -6.417 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 3.410 -0.329 9.275 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 2.177 0.604 -1.673 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 -9.411 32.326 -21.669 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 -7.917 -27.689 -18.099 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 -3.969 -1.948 -7.856 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 5.591 -22.171 17.635 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 -5.145 13.331 -28.243 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 8.404 2.590 -4.466 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 -21.650 -5.841 5.751 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 12.126 9.801 -6.332 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 5.968 3.837 1.930 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 1.886 3.669 12.174 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 6.903 3.670 -2.805 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 -3.022 5.133 3.153 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 -14.129 2.498 -10.072 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 4.823 7.180 13.207 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 -3.568 -1.335 -0.750 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 -14.925 -11.223 6.332 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 -2.900 -3.511 0.907 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 5.178 -6.999 0.942 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 24.423 -2.724 4.406 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 -7.155 -15.279 0.181 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 1.115 4.305 0.442 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 -32.170 14.687 -12.735 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 5.402 11.574 0.416 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 -1.464 0.789 -5.640 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 -21.035 14.597 1.562 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 26.725 -22.856 -6.783 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 -3.935 7.297 -0.765 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 -4.664 6.139 -9.534 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 9.478 -23.426 -1.904 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 3.598 -6.003 -0.535 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 23.732 2.683 38.237 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 -18.529 -0.748 -18.383 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 -7.884 -2.291 3.173 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 -3.299 15.800 8.302 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 -9.120 -8.083 0.382 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 1.223 0.032 1.065 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 -2.356 -23.331 6.628 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 7.926 9.552 -13.078 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 -0.777 3.384 -3.207 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 6.069 17.543 34.794 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 3.047 10.013 20.568 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 1.585 0.665 7.621 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 11.548 6.495 14.073 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 -5.035 -6.639 16.955 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 2.426 -1.493 -2.097 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 18.785 12.499 -2.684 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 15.228 -6.729 4.759 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 -1.616 -2.425 0.311 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 -9.505 -43.458 19.388 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 3.055 8.620 -4.964 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 3.565 1.247 2.111 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 5.884 -1.260 0.620 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 1.627 8.044 0.421 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 5.537 -2.291 -4.944 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 -13.378 -20.396 -2.191 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 2.507 10.327 -19.993 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 -10.742 3.193 1.601 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 6.723 21.671 -11.059 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 18.966 -18.485 10.589 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 2.657 -1.237 -5.577 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 18.352 1.843 5.323 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 8.520 -5.829 -7.050 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 0.174 -2.223 4.485 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 -2.424 -17.152 4.933 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 -0.611 -17.273 -1.708 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 4.502 1.049 0.485 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 4.934 1.827 7.350 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 -3.663 -3.785 -20.369 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 0.524 2.351 -0.363 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 -7.425 7.553 34.027 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 12.790 -1.926 -29.421 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 7.138 0.292 3.609 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 -0.700 -2.256 -1.923 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 9.449 6.309 4.979 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 3.668 -0.868 -4.271 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 3.049 -21.071 -32.251 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 -23.620 5.146 -13.523 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 -3.603 4.597 -7.502 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 -10.079 21.549 -11.570 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 -2.436 1.898 2.463 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 -0.568 -0.892 -2.186 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 10.392 -12.466 -4.165 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 -3.311 13.607 -10.840 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 1.611 3.739 -10.446 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 11.622 -13.494 -0.835 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 5.100 -13.925 21.578 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 -5.746 0.951 -5.042 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 -14.021 6.340 5.366 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 -0.626 25.687 -16.507 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 -8.244 0.283 -2.778 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 -2.599 8.431 -13.266 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 -7.962 -1.561 -2.573 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 -1.770 4.975 -4.587 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 3.880 -4.386 4.429 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 12.705 4.552 -20.098 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 4.953 4.828 -0.213 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 12.140 2.401 16.741 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 9.438 24.328 3.965 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 2.196 8.055 -6.506 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 24.704 12.483 -2.383 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 11.369 1.890 12.240 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 3.327 4.768 -3.543 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 -4.858 6.799 -2.583 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 -1.965 6.181 -8.703 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 -1.615 3.284 -7.351 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 5.857 -12.034 21.370 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 2.780 -2.257 7.618 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 -6.161 -5.433 6.826 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 -1.976 -7.291 12.915 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 -3.456 0.911 2.414 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 -8.704 2.102 -4.685 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 -12.246 5.131 -6.272 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 -10.692 4.041 -5.796 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 -0.733 2.630 0.872 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 -11.125 -14.152 8.718 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 -0.065 20.154 3.466 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 6.977 -3.739 -3.131 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 1.706 -13.849 7.693 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 -5.028 6.321 -4.543 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 0.388 -2.419 -7.819 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 -3.961 6.583 -10.153 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 -10.471 23.656 -20.750 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 7.145 -0.129 -4.099 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 1.542 4.393 -10.698 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 -22.102 19.632 -8.261 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 -5.956 1.145 1.770 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 -17.908 -1.746 -0.392 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 2.620 6.396 4.427 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 -2.985 -4.648 -0.606 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 1.539 2.647 -4.513 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 6.557 -17.643 -0.314 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 -0.136 0.144 -0.843 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 0.587 1.357 -15.947 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 8.356 -15.474 -6.172 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 -10.580 5.441 0.348 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 -23.861 25.668 2.133 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 8.589 9.352 -21.379 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 2.358 4.587 -4.466 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 5.011 2.733 -3.004 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 26.227 -8.873 4.789 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 -5.224 -6.243 2.384 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 -16.236 -8.916 9.317 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 -2.350 -13.846 -26.558 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 2.101 1.448 0.235 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 9.978 -1.882 -20.078 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 -18.928 -3.134 -1.108 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 1.394 3.293 -0.212 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 5.823 6.576 -6.417 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 -0.276 -1.394 12.798 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 -2.024 4.786 -3.879 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 -10.183 3.371 -17.428 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 13.359 10.394 -9.492 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 -3.437 -1.061 3.488 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 -3.518 -3.609 3.376 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 -6.866 -19.079 3.460 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 0.152 1.964 -0.889 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 3.778 15.132 5.845 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 -4.427 7.059 -10.680 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 0.903 6.690 -2.073 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 -1.846 -5.060 -2.268 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 18.337 -5.175 4.037 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 4.659 2.170 -4.324 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 10.070 -4.813 14.178 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 -2.569 -0.269 -5.524 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 -2.007 1.636 -5.751 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 -4.364 -1.948 0.660 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 2.926 8.231 -14.694 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 -0.727 -1.768 2.159 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 13.916 21.203 -3.722 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 -1.063 -3.894 9.569 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 3.335 -7.605 2.107 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 13.693 -29.950 2.808 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 3.968 -6.392 1.764 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 -0.261 -0.649 4.370 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 -18.453 -20.293 17.855 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 24.302 -16.432 8.096 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 -5.132 0.821 4.001 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 7.634 -9.844 0.341 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 1.553 -8.009 6.269 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 2.772 -0.375 -1.817 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 14.225 5.679 4.244 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 8.174 -9.013 -5.735 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 -1.450 -0.135 1.666 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 17.959 3.998 3.152 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 18.772 3.681 2.986 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 3.608 0.464 -1.193 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 -6.439 -6.507 -7.943 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 0.800 -4.040 -4.520 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 -2.446 -7.306 -1.782 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 -24.658 3.261 23.279 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 13.629 -15.031 -16.839 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 -3.086 3.973 4.174 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 -2.006 -5.087 -8.704 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 -2.834 -15.674 -24.444 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 2.775 -11.044 4.574 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 -4.087 -11.724 11.313 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 11.360 -9.401 -3.305 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 -1.720 -1.776 4.758 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 11.474 -3.431 -5.020 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 -14.463 8.197 7.063 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 -0.213 -2.115 3.756 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 -0.063 4.301 1.481 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 0.886 3.730 -0.247 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 5.476 -2.494 -4.494 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 -9.912 -8.686 4.086 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 2.149 6.965 -9.210 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 3.638 -2.720 1.083 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 24.058 8.507 14.872 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 -2.633 -8.813 0.204 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 -5.022 3.311 5.793 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 -3.234 -0.528 16.139 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 10.208 11.167 17.036 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 -3.632 -1.497 -3.717 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 11.884 -8.413 -15.330 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 0.574 15.597 2.804 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 -6.065 -0.259 7.559 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 -11.641 -3.972 9.548 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 -1.356 7.925 25.288 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 -1.780 1.760 -0.599 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 -9.815 4.193 -6.109 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 14.892 19.705 -7.939 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 -1.285 5.640 0.436 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 -7.804 -15.906 12.056 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 0.313 4.007 -10.762 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 -5.388 3.520 2.180 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 -11.393 26.327 11.505 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 -4.904 -9.960 -7.423 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 -4.015 2.598 2.977 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 2.970 0.588 -4.526 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 -4.511 4.562 9.868 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 -0.534 -6.542 -0.324 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 40.268 -20.418 -35.282 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 -0.241 -8.747 6.450 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 6.743 9.307 4.272 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 0.926 -21.619 20.092 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 -1.721 -23.300 20.361 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 -4.322 -2.289 -3.068 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 2.160 15.891 -14.727 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 -13.269 -15.032 -4.957 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 -6.848 0.447 -2.581 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 -2.746 19.729 -11.158 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 -13.077 -6.521 -11.733 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 -4.872 0.905 4.071 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 14.355 -11.781 2.420 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 -9.627 8.025 -18.385 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 5.246 -5.204 -1.735 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 -7.926 -2.405 -5.016 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 9.262 -8.545 2.010 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 1.782 0.185 -0.959 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 -1.838 4.438 -6.089 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 2.221 12.085 1.496 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 6.371 5.187 -1.754 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 3.105 -6.592 10.782 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 7.543 -0.503 -9.329 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 4.345 -0.335 3.313 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 10.483 -5.015 8.379 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 11.337 10.290 -7.686 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 -3.895 8.325 3.326 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 -11.274 -4.367 3.094 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 7.117 5.939 -7.041 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 5.198 -0.550 0.607 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 -3.410 3.552 -3.820 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 1.090 -3.714 8.103 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 0.566 1.788 -1.080 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 -9.609 -2.925 8.293 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 1.475 22.895 -8.458 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 2.376 -2.176 6.121 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 10.075 13.123 -15.984 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 -1.390 -2.443 -13.758 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 0.733 -1.157 4.095 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 -2.763 -4.504 -0.491 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 -1.450 6.191 0.341 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 0.486 8.856 0.188 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 -15.168 -14.094 -5.734 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 -1.070 7.336 1.801 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 0.619 -1.529 0.069 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 6.572 -5.993 -8.569 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 13.333 -8.597 0.476 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 2.929 1.747 6.604 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 1.370 6.379 6.481 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 8.142 3.469 13.149 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 2.876 -5.640 7.498 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 -19.882 -21.528 5.799 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 -0.433 10.176 3.469 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 -0.722 3.334 2.681 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 -12.050 6.439 -11.646 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 14.404 23.616 -5.740 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 4.322 3.843 1.785 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 -0.941 -4.048 -0.818 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 -1.013 7.683 21.793 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 1.614 -3.055 -4.304 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 -1.638 -1.221 -8.091 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 -9.036 14.747 -0.059 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 -8.465 -4.304 -5.657 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 -0.834 -30.216 0.030 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 -2.090 -4.091 23.286 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 0.808 -0.428 -0.409 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 3.019 -13.225 -6.869 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 7.086 19.231 16.653 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 4.253 3.134 0.217 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 3.110 12.461 12.792 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 4.651 3.351 -4.991 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 0.129 3.958 0.482 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 -17.669 3.612 -10.308 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 6.163 4.745 0.772 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 0.473 0.820 -4.416 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 8.254 3.318 -7.114 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 -6.699 -0.227 -3.133 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 -0.498 -4.207 0.116 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 18.941 -19.261 -6.458 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 -10.593 -18.056 8.168 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 -1.881 0.545 -2.028 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 -10.146 -10.455 -24.950 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 6.115 21.772 7.475 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 -5.185 -2.382 6.994 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 -10.050 8.742 14.589 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 11.485 11.223 -18.310 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 1.117 -2.719 1.319 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 9.043 4.993 -4.429 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 4.096 1.025 -11.982 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 -0.814 6.466 -1.110 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 -3.123 15.753 -4.030 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 8.076 -2.835 2.600 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 -9.243 -5.292 -7.889 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 26.646 15.528 -2.466 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 -8.247 17.151 11.350 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 2.415 -1.388 2.170 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 9.257 -4.076 -7.533 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 -4.246 -5.712 7.735 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 -3.415 2.718 3.309 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 1.329 16.142 12.180 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 -10.774 -14.394 -8.050 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 -4.353 -0.649 -2.778 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 -7.839 1.482 -12.240 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 -4.333 11.676 24.040 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 -0.077 0.566 -4.019 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 -24.434 10.965 8.273 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 6.504 2.014 -9.055 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 4.848 0.712 -1.059 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 -10.124 0.554 -10.337 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 -6.227 0.401 12.309 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 -8.510 -0.589 3.532 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 -20.193 -13.579 10.137 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 4.883 3.774 -4.946 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 8.763 3.086 -0.340 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 5.889 10.338 -10.179 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 9.930 -8.888 -7.917 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 -2.885 -2.223 8.663 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 13.179 5.410 10.264 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 -18.636 21.683 4.723 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 0.807 -3.865 -2.152 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 1.995 -0.673 2.285 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 2.210 -9.817 -5.438 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 4.423 -2.451 -2.058 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 5.855 6.843 7.461 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 0.749 -14.026 4.716 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 4.228 6.728 0.644 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 28.174 18.064 3.288 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 2.146 -4.150 11.458 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 -5.048 5.015 1.866 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 6.410 13.127 6.840 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 -14.974 -18.266 -16.663 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 -5.503 1.356 3.403 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 3.599 0.834 -1.107 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 17.208 -8.607 6.807 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 1.167 2.139 0.743 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 11.032 -0.853 -6.850 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 -11.858 8.722 4.422 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 -1.239 -5.529 3.278 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 3.446 -20.313 2.427 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 -7.720 28.565 5.906 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 1.378 7.019 4.395 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 20.167 -6.897 -1.601 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 -11.688 -3.555 -5.877 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 0.114 -1.749 2.605 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 14.181 4.311 13.116 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 8.741 -23.682 6.178 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 -1.363 3.479 5.443 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 -6.466 1.727 -3.542 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 -7.580 -1.209 -4.069 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 2.798 2.542 -10.535 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 6.144 9.479 -11.641 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 -5.118 4.134 -3.347 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 -0.657 -0.400 1.243 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 12.989 13.229 4.442 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 -1.288 4.393 5.997 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 3.439 2.681 -5.234 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 2.667 -1.706 0.988 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 2.244 1.376 -7.994 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 -0.062 2.645 -0.459 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 -9.420 9.548 4.475 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 16.529 -11.659 -4.468 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 -2.693 -0.127 3.272 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 16.754 -10.142 -15.250 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 -19.135 18.688 45.369 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 0.994 -4.193 2.431 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 2.195 12.662 9.385 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 -17.156 -6.038 12.152 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 -7.040 -0.031 -12.358 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 3.727 11.777 -8.436 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 -3.310 9.217 11.473 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 -3.323 2.774 4.192 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 -4.447 -7.715 -2.578 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 -0.939 21.075 10.618 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 0.239 -1.552 -3.238 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 18.825 -8.929 1.388 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 -3.019 9.472 9.344 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 -5.356 0.810 5.120 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 -1.490 10.962 -10.226 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 16.055 5.698 20.924 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 -1.455 0.953 -3.352 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 8.495 13.817 0.381 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 -6.766 -26.826 -18.476 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 3.230 7.328 1.391 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 -2.898 -27.260 -5.743 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 0.141 -7.610 -4.811 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 8.100 12.559 -3.356 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 -9.162 33.074 16.303 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 6.315 5.644 -7.622 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 1.694 0.897 -2.666 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 -4.268 -11.195 12.162 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 -12.878 -15.098 6.937 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 -0.037 0.746 3.066 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 6.698 4.338 16.645 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 0.957 4.879 -1.417 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 -2.419 -1.955 0.277 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 3.235 -5.646 -24.912 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 -17.088 -12.921 8.562 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 -1.208 2.796 -1.290 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 8.083 24.503 4.540 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 -25.154 -9.816 7.623 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 -5.936 2.704 0.340 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 -20.703 8.569 -20.488 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 -4.811 1.726 2.022 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 -3.588 -0.580 -0.066 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 -10.254 0.520 5.219 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 -1.905 0.954 4.682 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 -4.529 -2.465 -2.386 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 8.596 4.861 4.231 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 -5.554 -4.687 6.344 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 -0.039 3.931 -1.263 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 -1.793 1.151 -4.410 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 3.872 5.389 -2.118 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 8.163 -3.824 -7.275 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 -5.289 -0.788 39.485 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 8.546 -5.246 4.371 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 -1.222 -2.262 3.840 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 2.773 -16.522 1.780 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 -1.268 4.648 4.682 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 -1.803 3.546 -2.691 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 -4.393 -15.066 5.653 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 -2.242 -2.017 -7.761 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 3.380 -5.733 -7.719 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 -5.304 -8.537 6.187 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 12.768 -9.983 -2.306 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 -1.249 -1.772 -2.106 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 -3.670 3.505 6.179 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 2.158 -8.923 -16.580 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 1.315 1.197 0.599 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 0.242 7.842 8.654 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 -9.654 10.223 -4.843 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 1.393 5.159 -1.876 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 -2.758 -11.892 -2.315 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 -4.091 10.338 14.281 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 0.347 -3.691 1.181 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 -17.773 10.637 -3.154 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 16.284 -15.156 5.334 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 -0.848 1.049 0.845 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 4.046 -2.009 -3.253 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 1.648 -16.140 9.159 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 5.692 0.758 -1.320 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 9.834 10.269 -6.735 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 -1.271 2.761 -4.905 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 2.441 -1.657 -3.482 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 -0.729 -3.119 0.041 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 23.083 -0.212 15.190 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 0.234 1.762 1.129 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 -3.698 11.778 -5.496 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 -2.725 -1.967 4.924 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 -0.376 -4.125 4.407 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 -10.770 18.845 8.012 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 -6.999 -19.328 -10.463 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 5.758 -0.357 -7.012 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 1.275 -1.959 1.900 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 1.956 1.423 12.061 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 -1.478 4.296 -1.334 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 -11.144 -5.758 -5.632 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 12.624 1.684 -7.670 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 -6.580 -3.472 -0.120 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 -1.843 0.543 -2.810 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 -3.615 -9.462 2.025 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 -5.356 -1.929 5.915 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 0.416 8.577 7.328 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 -2.897 -8.187 17.294 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 1.609 2.886 3.067 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 6.777 -0.208 14.466 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 -0.305 1.557 22.853 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 2.917 -2.967 -0.103 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 4.407 -0.890 0.812 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 0.231 18.241 10.938 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 -8.451 7.703 5.484 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 -13.036 13.851 15.211 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 -15.829 -0.930 1.949 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 -2.201 3.787 5.958 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 -8.764 -19.980 -14.990 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 6.355 -3.746 -13.467 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 4.441 -6.105 -1.378 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 9.752 8.861 15.023 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 20.969 45.168 0.016 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 -4.440 0.764 -9.672 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 1.340 12.777 -12.881 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 -13.291 -10.138 -5.361 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 0.062 7.656 0.445 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 -22.492 15.439 4.701 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 -5.427 -18.622 -16.357 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 -3.618 -2.142 4.325 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 -3.318 -1.475 2.500 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 0.766 -15.244 8.972 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 3.387 6.911 -8.354 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 10.800 5.729 2.950 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 -0.525 -8.294 -9.859 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 3.982 -4.641 -5.484 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 -0.627 -0.142 14.045 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 8.856 -21.633 7.108 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 -7.965 -1.348 -3.334 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 -26.984 -7.490 -7.262 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 -0.534 1.653 -2.298 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 4.951 0.002 0.643 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 17.405 15.650 -9.235 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 1.501 -1.424 -9.626 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 3.065 -0.802 8.151 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 -6.048 -0.776 3.932 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 3.369 -7.039 12.915 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 -3.067 0.418 -4.711 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 14.870 14.461 3.993 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 -1.858 -5.359 -22.962 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 6.648 0.112 -7.108 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 -20.710 -23.691 -5.135 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 -2.503 -3.594 -4.341 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 -1.346 -4.498 0.396 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 -6.901 4.987 -0.879 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 -11.512 0.313 -17.042 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 -3.191 -4.760 -2.514 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 -17.889 -20.273 -3.021 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 -14.754 -13.262 -10.312 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 -0.149 0.300 6.475 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 0.357 4.013 2.828 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 -4.432 5.335 -0.767 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 -1.038 -1.828 -1.169 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 10.611 -1.973 27.824 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 -11.930 19.378 -23.379 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 6.453 0.975 6.886 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 10.842 5.366 12.399 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 12.899 9.437 17.494 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 5.446 -3.441 4.050 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 3.588 31.648 -13.895 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 -9.567 1.147 10.286 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 4.258 2.434 -5.127 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 -2.191 11.905 1.671 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 9.116 4.850 -18.998 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -4.014 2.411 -3.804 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 6.149 -19.307 -19.677 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 24.605 15.173 -1.648 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 -5.189 3.948 0.678 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 -19.281 -0.509 8.369 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 -2.511 3.644 -4.219 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 -4.434 -1.147 -1.069 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 -12.286 8.837 21.769 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 -6.698 -30.844 3.490 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 -3.503 2.577 3.101 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 6.745 -15.371 -7.089 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 4.113 -22.137 -5.238 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 1.292 4.937 3.262 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 -6.325 2.964 -4.946 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 4.531 1.751 13.916 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 2.353 0.270 2.916 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 -2.963 11.981 2.718 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 -4.632 -15.553 -3.601 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 -4.622 7.121 0.674 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 -2.955 7.622 -3.352 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 -10.183 3.897 -26.183 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 2.857 1.443 0.248 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 -5.568 -11.825 -2.026 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 -3.474 -6.340 -9.060 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 0.634 1.654 3.600 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 -27.883 16.968 13.900 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 12.484 2.467 -5.052 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 -3.319 3.402 4.682 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 -28.503 -0.718 -16.341 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 -6.725 1.715 -1.816 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 2.253 -1.187 2.393 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 -8.901 -3.983 24.915 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 7.833 0.741 -7.529 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 -0.882 0.491 8.652 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 15.447 7.945 27.141 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 -10.641 21.351 15.374 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 -1.954 0.132 3.128 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 13.531 11.952 -12.166 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 -21.745 -11.241 -7.728 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 -1.963 6.652 -0.937 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 -6.948 12.158 4.914 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 -4.670 4.438 -9.633 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 0.325 0.836 3.889 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 0.427 1.415 3.770 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 -1.672 15.801 11.267 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 -0.310 2.028 3.436 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 -0.271 -11.096 -3.387 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 5.319 0.516 15.890 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 -0.463 2.373 0.905 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 -5.645 -11.139 -13.847 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 0.190 16.633 -6.332 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 -3.105 2.486 2.289 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 3.205 -30.132 6.549 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 -3.749 0.492 9.689 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 -3.204 1.441 -5.172 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 4.147 7.976 -7.574 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 -3.518 -5.514 -6.633 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 -4.009 -0.584 1.249 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 15.009 3.258 -1.976 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 -23.194 17.502 -7.086 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 4.924 -5.358 -8.378 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 10.800 -11.636 -7.232 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 -0.181 -6.266 0.312 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 -3.448 -4.966 6.389 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 -23.852 5.114 -2.589 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 -1.057 -10.946 -15.573 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 -2.246 -0.644 -3.778 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 -4.142 14.154 -8.745 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 4.291 -19.679 5.960 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 -3.035 3.172 2.188 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 3.131 16.585 5.472 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 -14.457 -4.014 13.466 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 -1.167 0.715 -4.469 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 -8.122 22.134 -10.390 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 -19.153 -13.547 -13.423 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 -0.614 4.278 2.721 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 -2.877 5.269 2.341 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 -1.382 7.778 0.683 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 -0.325 -4.287 4.407 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 -3.891 -11.361 2.206 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 6.702 3.784 7.259 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 3.302 -3.388 2.465 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 0.732 10.525 1.945 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 -30.097 -11.572 4.851 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 5.533 0.082 -2.948 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 -3.204 -4.004 13.129 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 10.572 -2.040 -5.449 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 -0.155 -1.569 -5.215 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 -8.014 20.669 -22.169 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 -2.841 -24.262 -0.956 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 -2.800 -2.303 -2.429 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 -5.090 10.945 3.699 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 17.592 -18.591 16.323 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 -2.331 1.330 -2.877 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 18.772 1.648 -20.405 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 -3.799 2.007 -2.024 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 -7.560 -7.544 1.806 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 7.709 -4.072 11.226 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 -10.059 -10.595 16.200 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 -4.821 -0.548 -2.864 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 -19.778 -15.724 -3.893 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 8.137 -7.372 -13.703 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 -4.529 -0.691 -4.184 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 1.812 1.272 18.389 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 -2.874 -7.012 -8.095 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 2.311 -3.268 0.834 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 -6.860 21.130 -17.433 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 18.648 9.858 24.388 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 1.756 3.574 -0.447 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 -4.478 -2.954 30.681 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 3.689 3.579 19.055 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 0.797 1.692 2.766 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 -7.006 -1.549 3.289 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 18.611 10.255 39.943 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 -5.171 2.423 -0.592 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 9.170 -12.185 45.691 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 -10.099 12.322 -32.926 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 1.947 -4.121 0.878 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 -11.049 -10.079 16.318 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 0.269 -9.651 1.786 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 -2.994 1.137 -1.695 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 -10.519 5.978 -8.738 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 5.233 -0.452 3.993 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 -1.675 0.380 3.887 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 -5.710 10.360 2.457 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 5.503 -9.211 3.637 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 -1.952 -0.203 5.384 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 -10.588 -8.358 6.694 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 -24.983 2.356 -6.281 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 -2.381 -1.705 -3.285 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 0.359 -1.423 0.594 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 -4.948 0.280 -8.678 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 4.963 -8.179 -0.164 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 5.859 7.943 -8.066 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 2.119 -17.027 -11.983 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 -3.531 0.445 3.559 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 -24.328 18.401 6.548 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 43.057 1.307 1.891 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 -3.687 7.169 6.563 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 5.168 9.179 -8.909 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 6.732 -3.329 16.540 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 5.219 2.890 -5.463 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 6.876 4.159 -1.769 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 0.419 -0.336 -1.207 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 -1.405 -2.026 4.114 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 26.275 16.436 16.846 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 -26.031 7.988 -19.875 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 -2.354 -3.373 7.786 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 9.822 26.356 -1.894 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 1.968 -24.979 9.375 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 -3.027 -7.138 1.117 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 -6.019 -16.281 -12.040 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 -1.273 -1.188 8.548 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 -5.151 -3.489 -1.767 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 -24.611 -16.971 1.926 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 -8.653 18.890 10.673 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 2.261 -1.659 3.205 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 4.400 11.110 -31.776 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 11.568 -25.357 -12.781 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 -0.366 -1.616 -4.746 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 -2.683 11.496 22.093 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 0.580 -6.799 -15.447 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 4.117 -0.766 -1.433 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 4.323 -0.544 -2.119 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 4.126 -0.346 -1.243 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 -0.295 1.362 -5.309 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 17.612 8.919 4.912 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 18.268 8.740 6.663 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 -3.933 2.711 6.131 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 -1.692 -0.083 0.985 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 -12.844 3.959 9.330 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 3.450 0.942 -5.049 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 -8.810 6.212 -4.043 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 -5.139 -13.309 -8.090 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 0.332 -0.918 -10.122 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 19.250 0.252 -10.378 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 -5.795 18.669 -2.878 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 4.467 0.639 1.346 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 -10.431 -11.249 12.122 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 -3.706 13.437 38.537 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 2.371 4.038 1.239 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 -35.255 9.850 17.635 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 -5.757 -26.757 -33.755 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 -2.647 -1.570 -0.034 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 6.420 -16.494 -4.890 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 -1.289 -0.392 2.488 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 9.823 -3.721 -2.840 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 -18.812 19.770 0.911 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 -37.374 -2.023 12.544 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 4.692 2.210 -0.649 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 0.754 5.522 16.476 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 6.113 0.955 -6.218 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 -1.607 -1.445 1.713 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 -12.195 -7.026 -3.079 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 -0.822 5.283 11.279 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 -4.485 -8.970 -3.982 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 -4.723 -0.266 -0.954 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 -11.682 4.473 -9.565 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 -0.684 0.231 -9.313 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 11.595 1.592 -8.353 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 -21.827 10.050 4.497 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 -2.790 2.765 1.742 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 -16.042 21.251 -2.998 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 5.995 -7.072 -4.401 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 -0.459 4.740 2.594 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 9.349 4.315 6.170 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 1.872 -19.298 14.230 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 -6.200 4.805 2.795 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 -9.140 11.005 27.769 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 -4.573 3.399 -12.193 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 2.106 2.700 -0.624 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 -1.591 -4.334 0.993 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 20.352 1.186 11.183 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 -2.064 13.715 1.493 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 -9.292 18.048 -2.128 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 -1.627 5.316 -2.753 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 5.407 4.002 5.813 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 3.348 3.448 -3.034 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 4.780 2.907 5.601 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 -4.770 7.457 0.232 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 7.597 -12.933 5.298 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 -20.962 18.987 16.289 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 -3.032 -0.074 6.545 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 -14.264 8.976 4.201 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 -1.191 10.565 30.301 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 -0.592 3.039 -5.275 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 -5.729 7.443 -7.952 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 -8.004 17.275 -16.705 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 -2.205 -0.768 3.550 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 -8.399 1.428 6.580 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 -29.637 6.458 15.337 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 5.081 5.343 -5.377 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 -12.876 8.392 -14.720 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 -24.037 -6.688 -37.519 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 -10.819 -6.499 2.972 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 -14.545 9.070 -26.547 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 -24.853 -17.997 18.335 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 -2.951 -3.319 0.969 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 -7.793 -3.597 -0.252 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 33.628 1.395 6.829 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 -6.774 -1.354 -0.601 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 5.550 -2.924 -11.094 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 -23.418 0.038 -35.974 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 -3.830 -0.373 -1.523 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 -5.423 -4.662 -2.039 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 -6.275 -4.472 -2.103 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 -2.504 0.539 2.442 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 -14.512 -1.689 10.061 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 12.441 11.524 -4.115 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 -3.493 -7.222 -6.739 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 5.901 7.415 -1.478 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 -7.469 -12.397 -8.450 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 -0.176 2.967 -5.569 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 -0.194 -1.174 -6.310 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 10.511 -7.684 -19.175 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 7.007 0.907 -1.033 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 -4.400 -19.137 -12.946 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 -17.125 23.827 0.774 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 8.175 -0.590 -4.056 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 -12.171 -16.821 0.396 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 3.211 -4.708 -7.717 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 -4.342 -5.126 3.449 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 -5.680 -2.150 -20.322 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 14.000 -18.187 18.815 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 0.759 2.850 -1.471 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 26.932 -9.826 -5.004 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 -14.425 -18.556 5.007 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 1.822 5.755 -4.452 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 3.924 -7.631 12.268 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 -1.630 24.706 10.420 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 -9.169 -0.085 -1.221 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 -8.904 0.971 -12.719 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 -27.204 -13.312 13.344 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 1.163 2.116 1.061 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 15.820 8.331 6.036 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 10.702 4.457 4.505 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 2.775 -1.787 -0.401 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 2.938 -0.444 -10.068 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 -2.947 -10.192 -3.077 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 -1.960 -2.625 -4.064 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 4.761 -5.150 -11.582 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 9.888 -10.352 -7.455 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 6.510 -3.282 -6.256 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 14.426 -1.484 -3.112 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 6.187 6.051 -14.793 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 3.260 2.940 -5.468 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 6.273 6.716 18.516 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 2.491 -2.370 -11.422 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 5.422 2.370 -1.365 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 11.543 1.191 -2.674 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 1.871 -3.318 -1.697 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 -4.090 -2.267 -5.761 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 -34.322 -26.751 13.188 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 33.856 -22.623 3.264 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 -1.027 -2.773 -2.954 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 4.083 13.486 -16.694 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 -17.088 8.144 -7.197 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 3.822 -0.604 -1.402 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 25.357 2.511 -5.011 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 9.538 -3.548 25.381 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 -3.664 0.485 4.742 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 -4.541 -0.514 4.967 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 1.141 -14.057 6.235 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 -3.643 -2.901 0.650 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 -18.688 -8.938 7.288 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 -21.769 -11.331 10.017 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 6.851 -1.322 -2.074 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 21.523 -6.397 -2.603 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 -6.926 -3.187 -5.292 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 1.307 5.329 9.147 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 -4.408 9.770 3.931 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 -2.367 11.329 9.870 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 -0.819 -4.711 2.146 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 -11.541 -5.024 4.089 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 -2.788 -3.917 9.369 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 -1.013 -2.856 -2.923 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 -4.337 -4.642 -4.234 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 4.302 -1.774 4.156 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 2.353 4.913 2.250 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 6.271 -10.626 4.068 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 1.223 -3.915 4.414 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 -7.721 -0.727 4.437 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 -14.855 -8.922 15.991 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 -9.418 -2.782 9.311 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 -0.372 -7.784 9.553 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 -1.667 -14.863 18.694 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 -8.432 -1.829 10.169 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 -2.574 -5.537 -5.918 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 7.568 -11.948 6.863 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 -15.068 -1.044 1.173 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 0.690 -1.113 3.214 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 -1.460 14.614 -2.340 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 -5.297 -0.933 17.370 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 -2.752 -7.928 0.718 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 -8.819 -17.469 3.709 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 0.516 0.729 1.963 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 0.221 0.458 0.042 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 5.912 6.948 5.060 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 -3.793 -5.443 -7.418 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 1.509 5.555 -6.104 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 14.389 -19.994 -17.639 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 5.134 1.728 -12.971 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 -0.889 5.332 3.949 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 -0.528 11.968 -2.097 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 16.014 -1.461 11.603 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 0.357 4.051 -12.438 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 -8.388 11.082 -2.045 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 -5.678 -6.936 32.699 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 8.964 -4.249 0.916 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 14.602 -2.097 10.595 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 8.441 5.719 -5.831 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 -1.146 2.414 1.972 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 -4.112 -28.102 6.662 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 -22.246 1.003 30.066 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 7.382 -4.643 4.816 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 -8.903 -11.396 0.384 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 -4.709 -13.421 -0.546 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 0.860 -3.860 -4.410 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 2.271 14.363 -22.828 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 1.881 8.526 10.298 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 5.690 -2.787 -2.175 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 -4.059 25.975 0.145 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 16.356 -3.376 7.012 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 -1.962 -2.322 1.541 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 -3.647 -10.449 2.882 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 -1.907 14.014 1.447 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 0.924 2.027 -4.794 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 1.761 11.250 26.406 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 2.456 11.066 5.663 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 2.378 0.279 -3.554 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 1.430 -30.173 -9.115 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 19.284 -3.631 -12.195 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 2.308 4.410 -3.365 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 13.447 10.438 4.856 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -10.763 4.544 8.575 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 -0.894 2.559 2.512 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 14.053 5.525 -18.117 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 2.570 17.596 14.749 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 1.452 -1.649 -9.246 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 6.573 -0.083 -19.038 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 -9.320 0.639 10.051 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 -5.803 0.075 4.464 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 6.258 13.411 6.199 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 -19.311 -23.863 18.025 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 4.981 -3.763 -2.141 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 10.877 -8.347 -5.693 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 -9.318 7.432 4.292 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 0.183 1.652 4.824 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 -4.533 -1.915 5.605 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 14.375 8.223 4.626 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 -4.114 0.247 1.945 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 -0.761 -3.626 5.478 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 -13.746 2.194 25.284 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 -8.834 -1.303 -3.161 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 5.149 1.309 -10.141 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 11.585 -2.537 4.885 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 -0.212 0.928 5.818 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 10.166 -16.095 36.306 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 6.074 -11.173 -7.950 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 -5.969 -3.223 0.655 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 -20.811 -10.729 0.282 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 -16.565 -6.007 -14.553 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 -1.399 4.994 -2.306 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 -5.232 7.691 17.181 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 7.479 -5.757 -22.169 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 4.955 1.477 1.361 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 -3.464 -1.945 1.065 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 10.767 5.687 8.964 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 9.842 2.158 -2.753 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 -1.925 6.933 -13.347 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 2.038 15.849 -13.938 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 -2.456 0.711 -2.720 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 22.075 -20.402 -7.658 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 4.333 7.879 -4.226 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 -2.473 -3.743 -1.512 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 3.909 -2.535 -5.642 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 -6.982 -4.466 1.171 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 0.467 6.107 -2.958 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 -6.654 -23.615 -1.813 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 -0.935 3.026 -8.597 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 -0.330 -3.554 -6.413 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 -6.524 -8.353 -9.052 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 8.220 37.381 3.807 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 5.181 -0.199 -2.129 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 -4.972 9.620 -18.257 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 2.414 8.013 8.553 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 2.222 4.078 0.205 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 -11.465 21.520 16.100 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 1.400 -29.215 -4.619 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 8.155 0.194 3.659 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 -10.972 -16.866 23.203 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 -1.219 -2.186 25.278 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 2.609 -5.905 -0.171 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 3.516 -16.657 -1.981 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 1.920 27.998 8.965 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 -0.006 -4.714 6.851 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 -10.323 -14.097 0.683 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 -14.520 23.745 -6.803 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 6.433 -2.649 -3.483 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 -9.967 5.458 0.536 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 19.957 -0.182 -6.231 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 -1.639 -1.415 2.845 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 -30.814 -13.660 -1.996 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 -8.143 -1.984 6.953 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 -3.763 0.101 -3.227 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 -14.470 11.931 8.642 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 -12.397 -18.456 -6.598 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 -4.599 3.467 -1.316 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 10.049 -14.684 -29.465 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 -6.079 -7.679 -0.521 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 -2.314 -5.703 -4.432 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 -4.244 -8.101 15.220 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 6.559 -2.061 -7.833 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 1.775 -7.876 2.366 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 3.124 -17.555 -22.489 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 -12.468 5.325 7.072 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 -1.044 -4.138 1.078 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 13.516 -0.448 8.083 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 -0.194 -14.126 5.088 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 3.647 0.402 1.138 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 10.272 8.823 16.588 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 3.763 2.081 1.472 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 -1.268 3.310 -8.228 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 -1.278 -5.375 -7.074 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 -1.841 -8.667 -4.773 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 7.205 4.340 -1.949 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 -8.893 14.596 -9.610 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 10.116 8.877 13.521 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 -3.961 0.388 -0.970 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 -5.304 10.369 -1.993 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 -1.862 -8.842 -1.007 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 3.264 -6.614 -4.672 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 -1.785 -8.207 -7.489 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 -3.495 7.420 0.712 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 -6.522 -0.424 0.974 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 -2.523 2.216 12.585 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 -3.575 -12.079 -3.358 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 -4.073 0.427 2.079 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 -0.393 -2.592 3.346 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 -17.344 15.105 -2.522 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 -0.221 -9.717 -1.603 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 -8.699 -12.604 -1.001 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 -16.873 -15.495 1.043 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 1.773 0.961 4.698 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 5.392 22.026 -0.069 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 -5.150 0.760 7.715 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 -3.063 2.282 -0.499 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 -0.584 -10.926 2.307 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 -2.400 11.593 -6.422 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 0.012 -3.058 -3.062 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 10.342 3.574 -5.230 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 9.911 29.930 -13.445 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 2.907 -0.737 3.870 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 11.185 -9.935 13.463 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 -10.991 3.644 -2.154 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 3.688 -6.474 0.494 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 8.442 -1.965 12.437 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 11.716 -5.016 -4.039 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 -9.287 -6.203 -0.965 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 -5.190 -5.879 -3.938 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 2.949 10.753 15.401 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 -1.456 -1.643 7.693 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 9.363 7.343 7.838 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 -11.437 2.182 10.151 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 -9.245 1.528 2.150 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 -9.319 -0.518 -5.043 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 -20.379 3.094 7.069 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 0.885 2.312 -4.396 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 7.246 -1.341 -7.416 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 -4.592 5.971 -2.626 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 1.481 0.215 2.594 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 -1.387 6.127 -16.513 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 -12.299 8.924 14.944 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 -0.073 -2.623 -1.087 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 -0.316 -19.446 -16.967 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 2.574 -0.250 -6.007 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 -3.574 -4.953 -8.035 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 12.439 6.027 4.753 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 -12.141 -28.769 4.375 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 0.028 -1.233 -2.244 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 -0.593 -8.260 31.250 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 0.455 12.334 -0.780 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 -5.421 -3.494 5.916 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 -3.942 4.142 19.958 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 14.481 -7.941 15.097 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 -2.594 5.295 -3.800 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 -14.215 0.255 -18.034 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 -0.847 23.131 -6.562 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 -0.930 -0.591 -2.117 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 -8.807 14.093 -0.700 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 -3.272 -9.482 6.574 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 -6.391 2.963 -4.008 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 -5.444 -1.607 -2.126 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 -6.934 1.473 -5.580 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 -1.340 -0.297 -4.025 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 0.233 -11.395 -7.105 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 11.175 2.235 6.941 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 4.901 0.445 -3.132 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 1.459 -5.686 0.086 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 9.515 4.087 -0.785 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 -5.597 -4.791 -2.206 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 -2.397 -8.984 -0.458 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 -13.297 1.705 -1.249 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 0.925 -3.857 -4.346 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 14.608 -9.352 -13.027 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 -2.372 11.577 -12.784 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 -1.084 0.286 -3.652 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 -2.273 -1.721 15.279 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 9.706 9.486 -2.709 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 -3.964 -2.312 0.092 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 -6.520 1.120 12.655 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 -0.625 -6.733 -16.459 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 -4.303 2.506 0.939 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 -13.646 11.444 -16.314 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 5.892 -5.153 -10.904 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 -3.752 -3.590 -0.710 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 -5.451 -1.242 -8.371 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 8.488 -23.010 0.980 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 -0.407 -3.380 3.824 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 13.505 -3.759 -1.114 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 15.185 -1.649 -0.796 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 1.499 -4.333 3.523 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 -9.949 4.825 3.590 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 -0.885 -1.646 5.001 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 -5.727 5.334 -8.034 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 -19.730 -0.239 13.020 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 -19.697 -1.576 9.750 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 3.630 5.228 -2.666 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 10.166 -14.043 21.459 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 -10.689 13.570 -20.365 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 -3.914 0.539 1.728 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 -12.243 -9.696 15.728 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 -7.551 0.600 -4.386 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 -8.190 3.713 -3.184 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 0.666 -16.438 -2.005 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 -14.430 11.179 -1.539 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 1.677 -0.678 -4.288 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 -1.733 3.392 -7.165 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 24.258 -25.866 -21.972 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 1.690 1.278 -4.883 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 24.516 -5.818 35.730 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 -48.632 -11.934 -23.984 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 2.449 -1.052 -2.209 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 -0.504 7.062 3.035 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 -4.027 -4.198 20.208 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 0.928 2.402 0.352 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 8.081 12.626 -0.383 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 -23.029 9.050 -19.489 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 0.667 -9.491 1.211 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 19.468 4.958 -6.503 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 -17.528 -24.570 13.695 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 3.149 5.007 -0.326 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 18.180 2.493 12.547 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 13.994 -1.673 3.559 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 -2.988 -0.622 -5.937 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 -0.047 -3.037 -11.621 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 -5.629 -6.067 -3.762 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 -9.420 1.504 -4.429 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 2.422 0.990 -9.928 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 -1.610 6.314 -1.200 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 1.268 5.972 3.799 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 -0.501 -7.009 -7.625 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 1.739 10.570 -3.583 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 0.984 -4.616 -0.194 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 -2.809 -0.477 -0.752 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 9.851 15.153 -0.688 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 1.115 0.949 3.285 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 10.298 10.097 4.990 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 2.183 -3.117 -8.434 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 -2.122 -7.015 0.774 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 18.440 -11.671 -3.158 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 17.034 -18.022 6.602 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 -1.108 -3.990 4.582 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 -7.158 18.831 -9.197 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 34.403 -24.057 -5.919 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 -3.944 0.585 -1.796 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 -3.537 6.313 -2.015 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 -9.595 -37.866 0.844 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 3.582 -0.852 7.731 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 -7.386 -10.021 -3.403 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 -7.097 -11.896 -5.605 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 -3.869 -8.559 2.248 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 9.586 -7.771 -28.049 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 13.796 4.331 23.186 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 -4.288 -2.145 -4.591 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 -9.460 0.618 0.792 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 -19.225 -8.793 20.419 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 1.815 -3.414 -3.850 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 -12.017 -11.230 15.617 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 9.382 -4.340 5.582 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 1.693 -2.110 -2.667 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 6.469 -4.794 -19.809 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 -11.119 -5.497 6.836 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 -0.082 0.861 0.336 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 21.544 12.306 4.228 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 9.093 -20.437 -18.113 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 7.977 -7.856 -0.443 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 -2.615 12.209 -1.579 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 1.789 -14.582 -1.823 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 -6.034 -2.966 -3.534 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 15.011 30.117 32.110 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 1.876 8.800 12.843 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 4.439 -2.030 -4.420 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 -0.210 5.846 -6.105 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 4.669 -1.265 -8.856 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 1.039 1.307 -4.342 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 -5.700 -9.798 -8.598 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 8.547 -10.916 -0.171 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 -0.417 4.811 -0.030 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 4.359 12.341 -9.950 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 -4.537 7.803 0.581 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 -5.442 -3.135 -5.215 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 -2.008 -4.667 -11.191 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 -7.853 -5.113 -8.532 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 -0.595 -5.688 0.332 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 -14.664 -19.915 26.324 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 17.414 -5.233 17.328 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 -7.350 -7.088 5.842 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 0.625 -7.750 13.085 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 -8.846 -6.084 2.589 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 -2.414 -1.799 4.019 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 4.008 13.440 2.055 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 10.011 3.003 11.979 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 -8.397 -4.788 3.762 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 -5.122 3.349 7.844 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 3.857 -1.145 -4.659 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 0.167 0.664 3.081 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 -7.466 8.004 -6.820 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 -11.729 -4.240 -10.607 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 -1.653 -1.058 0.419 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 0.809 -5.019 13.644 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 -6.244 -8.784 0.399 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 5.141 0.442 -0.768 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 10.887 -16.972 11.228 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 2.929 12.164 -8.728 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 3.856 0.709 -2.367 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 4.884 -0.761 -2.464 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 2.393 0.130 -1.816 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 -3.739 -6.036 1.103 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 -5.601 25.562 24.683 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 -3.986 8.862 13.876 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 7.187 -2.682 -3.544 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 -7.531 -2.702 1.479 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 -6.287 -8.181 -0.525 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 -7.153 -1.375 1.130 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 12.367 -11.135 -8.852 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 -22.945 1.925 16.503 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 -3.326 1.346 -0.047 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 -6.333 -5.715 31.602 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 -1.276 26.899 2.228 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 1.691 -0.171 -1.329 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 -9.056 6.234 -0.473 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 6.284 -16.741 -7.107 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 2.533 3.477 1.230 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 -11.262 2.892 -25.835 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 17.601 20.320 3.571 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 0.508 5.866 -3.831 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 -15.830 23.985 10.901 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 -13.579 -20.939 -2.788 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 2.551 1.011 0.520 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 4.772 -5.521 -8.540 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 -1.388 30.871 22.446 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 2.052 1.066 1.131 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 14.452 2.254 14.731 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 14.194 -14.081 -17.009 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 -0.348 3.995 -4.202 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 -7.247 3.543 -16.790 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 -7.763 -1.966 -12.466 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 -4.877 -1.365 0.996 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 -16.521 -16.584 11.686 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 -11.751 -26.654 16.438 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 2.722 2.457 8.339 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 -12.788 4.776 -9.218 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 -10.196 -19.772 4.668 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 0.562 -3.142 3.561 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 -21.232 -30.836 3.138 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 3.613 8.375 -5.258 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 7.725 3.866 -2.884 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 4.559 9.398 7.558 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 2.889 2.714 -2.175 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 -3.775 -1.537 1.364 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 -2.752 -2.765 -14.977 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 13.380 22.577 19.703 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 4.940 2.869 -3.907 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 -11.219 7.190 -18.747 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 -2.169 3.122 13.219 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 3.183 1.675 0.134 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 1.460 -0.374 0.376 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 12.166 5.944 -6.084 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 7.469 2.001 -2.750 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 4.778 -5.732 -2.508 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 9.396 3.653 0.010 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 6.995 -4.353 0.112 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 9.184 -1.970 6.954 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 -1.917 -11.521 3.644 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 3.576 -3.045 -0.377 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 8.078 -6.921 1.949 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 1.627 -4.021 3.493 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 -3.089 1.742 -2.231 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 -1.750 -7.641 23.429 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 -18.230 -0.025 -12.094 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 -0.897 4.478 2.095 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 10.930 -9.542 16.997 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 3.865 8.663 -9.920 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 2.706 4.627 -2.992 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 -4.315 -0.472 3.626 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 9.697 9.292 -9.696 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 3.259 0.153 -1.468 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 8.507 -3.493 12.713 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 4.602 -0.928 2.066 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 3.069 -3.763 11.637 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 4.479 9.128 11.443 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 2.432 -8.687 10.807 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 -6.012 -4.950 4.363 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 -12.423 -0.330 -1.437 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 14.037 -17.610 27.409 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 -0.019 0.751 0.612 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 -14.223 -7.006 -5.600 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 2.744 14.171 -9.687 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 -1.703 -2.796 -4.252 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 -5.468 -3.540 -8.607 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 5.807 5.670 -24.926 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 8.154 9.570 -4.014 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 -10.811 -3.951 -4.871 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 9.053 -11.890 12.518 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 -3.575 -5.897 9.074 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 -3.486 -9.224 5.092 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 -2.374 12.046 14.674 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 3.643 0.440 4.788 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 -5.334 -12.879 4.503 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 3.956 9.004 14.940 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 -0.107 0.646 -4.890 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 8.278 9.166 20.922 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 1.794 3.027 -21.142 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 2.551 -2.578 -2.746 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 1.074 18.078 18.764 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 0.452 0.313 -10.874 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 -0.732 5.309 0.325 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 0.605 24.258 -10.813 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 17.396 -12.959 -12.011 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 4.663 0.237 -0.047 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 0.556 7.982 -11.265 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 3.523 0.946 -12.603 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 4.781 0.904 -0.434 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 4.228 3.237 -0.050 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 11.128 4.885 3.073 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 4.331 -1.215 -1.946 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 11.947 -8.813 -3.088 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 -4.433 -7.259 1.763 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 2.063 -6.259 0.971 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 1.299 -0.579 -2.525 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 2.810 -6.607 3.027 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 -3.106 -2.374 -3.073 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 -10.393 -8.474 -9.439 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 -5.249 -16.393 4.952 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 0.170 3.166 1.191 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 -13.149 12.836 3.114 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 13.670 13.810 3.610 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 -1.119 2.196 -3.324 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 4.563 0.538 11.442 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 10.268 4.631 -8.815 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 0.501 0.685 4.443 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 0.476 29.005 10.119 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 27.214 -7.134 -13.752 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 2.331 0.800 -4.030 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 -7.652 5.800 -7.883 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 6.514 -2.632 -2.050 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 1.196 3.958 0.792 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 -5.484 -1.936 14.557 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 -7.703 13.942 4.182 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 -5.549 4.611 0.589 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 -7.172 26.226 3.948 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 4.646 -21.957 -2.545 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 -0.530 -4.305 0.212 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 0.128 -3.501 -0.466 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 19.312 -4.080 -9.495 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 5.203 0.185 -1.753 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 11.921 6.961 9.326 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 -2.421 -8.962 -14.816 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 0.634 4.976 3.885 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 -2.897 -8.952 4.137 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 3.982 8.405 -10.284 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 -0.605 -3.622 1.232 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 -10.210 2.063 -7.933 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 -10.987 1.559 12.920 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 0.028 -3.596 10.947 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 14.150 -10.172 4.112 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 -1.359 -22.494 15.883 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 4.017 -2.022 4.302 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 -15.880 16.708 -1.739 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 0.200 31.055 6.695 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 -5.106 -0.817 2.759 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 -6.989 8.698 -0.431 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 -4.273 8.787 -4.891 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 -2.068 -8.200 -4.433 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 6.273 -8.954 -11.970 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 -3.045 -7.615 -0.675 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 7.111 -2.343 -2.402 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 5.662 -11.612 -0.084 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 10.427 0.104 4.310 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 -0.744 2.221 6.854 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 7.237 -1.637 17.880 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 17.196 -1.674 19.819 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 3.694 -9.828 -0.564 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 -6.771 7.061 1.541 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 0.890 -2.826 0.330 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 0.993 -0.666 -2.989 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 1.706 -0.571 -2.055 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 0.719 3.968 -0.128 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 7.107 0.171 4.939 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 -4.195 0.356 -32.082 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 0.412 -7.005 -10.846 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 1.033 -1.825 3.175 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 3.920 -9.650 -11.322 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 7.301 -1.318 18.270 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 -3.735 -0.841 -0.388 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 17.383 -6.104 -26.308 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 16.345 -7.453 -23.481 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 1.456 2.232 -3.089 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 -23.853 0.000 -6.378 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 13.285 -7.666 -1.603 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 0.133 -0.553 -3.915 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 -7.087 10.560 7.012 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 13.083 21.803 -10.050 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 -0.357 4.899 -2.917 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 1.795 13.077 -3.650 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 -1.827 20.077 -3.984 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 -1.602 -4.315 -1.017 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 -20.093 8.983 -8.415 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 2.394 -2.727 -11.094 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 2.527 -2.305 -0.409 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 -20.768 -1.320 9.077 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 7.473 -13.548 -9.382 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 1.126 1.841 0.453 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 -11.753 -0.303 12.549 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 -7.761 -0.650 -5.460 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 11.176 2.748 -0.154 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 -10.354 -0.283 -6.589 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 -8.593 20.507 -13.955 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 2.998 -5.342 3.090 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 -16.454 2.849 5.275 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 7.251 -8.607 -1.448 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 -5.277 -2.644 -1.368 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 10.630 5.097 -1.821 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 -5.072 -5.676 -14.210 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 0.205 8.991 -2.642 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 17.829 6.464 11.127 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 12.056 2.298 4.023 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 -2.673 8.497 -2.982 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 0.897 11.165 -2.843 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 17.442 11.650 0.740 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 -2.663 3.038 -1.630 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 -15.746 -12.254 -19.011 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 26.758 5.170 -4.662 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 1.693 -0.618 -4.369 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 19.066 -3.148 -3.742 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 -6.610 -0.771 -15.198 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 6.163 1.253 0.198 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 16.869 -22.829 -18.462 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 -19.912 13.287 -15.476 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 -0.372 1.988 2.483 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 -25.515 -16.919 -14.768 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 -3.658 9.213 40.707 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 -0.300 1.073 0.342 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 4.764 -11.634 3.823 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 -2.758 5.001 -1.373 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 3.952 5.762 -0.129 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 2.849 9.009 -0.303 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 1.054 6.085 -7.908 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 7.503 -1.746 1.401 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 28.236 -1.673 -8.447 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 10.213 0.061 3.850 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 1.114 5.180 -6.511 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 -2.499 7.491 -23.836 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 1.923 -3.079 -6.263 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 1.505 -5.938 -6.398 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 -12.653 -9.616 -9.421 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 26.115 3.692 -12.019 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 1.772 -1.193 -0.329 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 14.620 -12.337 21.016 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 -1.553 -8.648 -11.194 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 -1.405 1.760 -3.381 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 12.177 16.808 -3.504 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 10.354 -5.111 -0.445 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 3.271 -4.143 -4.580 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 -1.445 16.065 -14.962 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 15.502 -25.756 32.410 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 -1.871 5.172 7.673 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 -6.330 6.714 6.394 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 -8.099 1.151 5.077 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 -5.876 1.257 -4.309 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 3.552 11.984 17.844 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 -9.669 -11.871 -11.714 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 -0.524 -3.617 -2.536 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 5.496 -8.899 -20.825 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 0.943 13.976 -24.839 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 -7.053 -2.994 -0.982 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 5.459 -0.756 -21.779 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 -35.469 -26.010 -0.971 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 1.210 -4.947 13.642 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 -1.377 4.571 18.313 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 3.995 -2.700 4.082 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 -2.872 1.288 1.927 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 2.771 6.465 0.281 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 11.075 -2.273 1.400 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 1.957 -0.525 -2.568 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 7.079 -10.187 -5.735 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 -0.874 -7.075 10.842 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 2.447 0.041 -1.392 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 -6.676 -11.546 2.207 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 5.072 1.659 14.543 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 2.802 -1.820 -0.965 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 9.423 9.525 13.764 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 1.356 -7.422 -2.383 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 4.589 0.712 0.258 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 2.586 -6.641 -5.744 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 -2.446 1.727 -3.964 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 7.288 8.586 0.382 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 -1.567 11.131 8.883 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 -18.688 -9.829 -3.669 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 -2.973 -0.181 5.149 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 -14.458 21.717 6.675 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 15.788 -2.085 8.534 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 5.564 -0.158 -2.646 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 0.703 -8.884 -17.129 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 -14.351 -4.776 15.199 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 -1.384 -5.944 -3.643 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 6.959 -9.816 0.188 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 6.215 -5.779 -26.382 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 -0.739 -9.003 2.416 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 2.721 -12.901 -22.951 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 19.532 6.637 8.811 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 -0.955 -2.556 7.583 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 -14.423 8.032 17.126 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 4.229 -31.713 -5.080 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 -1.097 8.468 1.598 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 9.518 5.330 -4.018 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 -12.974 2.303 -4.833 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 -4.628 -0.061 1.071 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 -0.801 -14.497 -18.455 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 15.136 -8.846 4.260 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 3.129 1.226 -2.029 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 31.820 -6.013 4.116 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 -9.100 -20.957 22.552 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 1.524 1.844 -8.351 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 9.215 9.174 -22.375 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 -19.771 -12.521 14.188 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 9.700 1.640 -0.649 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 12.910 3.153 9.233 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 3.954 13.469 -18.475 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 2.467 1.803 -1.891 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 2.381 4.670 -1.541 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 4.689 -2.611 -4.127 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 0.924 -2.941 0.930 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 -10.707 -17.109 8.259 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 -17.730 3.855 -0.357 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 0.589 0.373 3.908 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 -1.211 -2.353 4.098 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 3.308 15.900 6.935 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 -4.488 -3.135 -1.572 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 -20.615 -7.618 -15.173 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 9.419 -7.399 11.828 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 8.202 -1.866 8.439 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 3.494 -15.761 7.578 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 16.626 21.409 9.928 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 -0.246 -2.813 -4.238 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 -0.112 -7.002 -21.735 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 -16.599 0.135 -13.603 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 8.227 -3.270 6.572 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 0.169 -5.408 1.663 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 3.684 -3.562 16.136 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 -2.551 -4.559 -6.802 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 -0.434 -8.125 -3.676 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 0.197 -7.045 -10.099 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 6.938 -1.097 -2.814 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 6.230 -9.747 3.149 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 -11.232 0.268 -4.109 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 -0.467 2.898 -1.156 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 -6.097 0.534 4.313 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 8.023 5.769 -8.990 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 -2.656 -8.173 -0.925 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 7.615 -17.826 3.624 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 -5.701 -5.245 -0.928 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 1.159 0.278 -0.616 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 -8.813 3.834 -4.546 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 -11.753 -4.385 5.742 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 6.200 1.067 -6.004 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 3.614 -7.063 -9.726 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 -1.241 17.866 -9.176 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 2.784 3.442 -5.860 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 -5.614 10.129 13.576 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 3.671 -6.396 -8.955 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 -1.819 -0.041 -5.063 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 1.201 -6.560 -12.537 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 -11.029 25.998 12.511 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 6.484 4.254 6.934 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 6.235 -1.149 15.575 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 2.209 2.240 1.672 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 1.000 -5.568 2.421 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 -1.686 -0.645 -16.696 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 -5.596 9.097 -18.270 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 2.225 -0.343 2.082 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 12.642 -9.407 17.607 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 15.876 -11.666 21.800 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 -2.881 -3.825 6.359 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 14.649 9.741 8.097 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 5.964 0.579 -6.020 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 -2.578 -10.486 5.963 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 4.809 -7.131 3.580 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 -24.318 -27.405 20.123 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 3.170 -0.313 1.824 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 11.973 9.954 6.365 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 1.264 1.736 -6.100 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 -2.086 -1.499 -0.943 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 -2.234 3.408 -0.495 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 -2.982 -1.748 -17.443 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 2.139 2.125 3.158 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 24.481 -4.574 -1.918 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 -7.895 -2.473 -25.183 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 -2.064 3.828 1.017 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 6.213 11.789 26.203 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 -22.303 -14.440 6.126 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 -1.908 3.096 -0.818 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 -14.844 11.048 -24.415 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 18.555 -5.146 -3.286 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 -3.274 4.503 -0.541 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 6.117 0.798 -14.136 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 6.089 17.010 24.339 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 7.668 4.430 -4.299 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 -4.944 2.819 -15.603 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 4.554 -11.230 12.385 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 -1.222 10.055 7.507 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 19.319 -10.359 1.790 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 41.914 -5.712 -12.550 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 -1.427 -4.484 3.524 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 8.481 -17.541 -9.280 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 3.865 -5.409 5.076 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 -4.469 0.265 -2.837 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 -2.577 -6.055 11.856 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 -17.195 1.008 9.364 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 0.186 -3.078 -0.408 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 3.904 3.387 -10.275 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 -4.417 -10.374 10.898 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 -3.683 -0.820 -0.811 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 1.386 6.150 6.816 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 0.932 1.259 -4.776 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 7.806 -0.073 -4.558 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 11.840 2.514 -31.764 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 8.882 3.536 -14.442 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 9.587 -0.470 2.534 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 8.135 3.547 1.486 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 13.464 -1.813 3.479 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 5.376 -6.225 4.412 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 6.891 -7.019 2.392 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 -23.454 2.900 5.331 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 3.695 -2.339 -0.046 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 8.999 5.866 22.920 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 14.341 3.598 5.643 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 -2.608 9.276 -2.800 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 13.363 9.082 -11.814 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 -16.446 4.563 -6.441 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 1.909 -7.474 1.115 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 -10.278 -2.870 -18.841 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 3.406 1.665 -21.490 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 1.928 -1.417 1.704 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 12.903 4.083 9.897 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 -0.699 -6.750 -5.923 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 1.940 -0.100 1.494 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 -2.655 -2.286 -0.616 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 -1.537 -3.383 3.076 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 8.451 2.278 -1.773 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 14.902 5.579 19.777 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 1.313 3.650 -12.863 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 4.885 1.058 -4.320 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 -31.336 12.093 -13.809 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 21.599 -9.528 4.833 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 0.762 0.463 -1.173 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 3.568 1.397 8.291 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 6.915 -1.657 -12.354 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 4.002 -0.180 -6.493 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 3.983 -5.615 3.343 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 5.397 1.201 -2.833 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 -3.006 2.758 -1.266 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 36.037 0.831 -4.603 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 15.635 11.472 -4.249 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 -3.493 3.609 -0.790 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 -13.646 3.657 -3.549 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 -1.145 5.029 -4.162 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 -1.471 -5.613 8.302 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 2.690 -11.247 18.258 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 -5.003 -1.977 1.786 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 -4.011 1.784 -1.369 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 -20.560 14.984 -10.847 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 -2.358 -2.298 -4.772 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 -4.125 -1.426 -6.340 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 19.373 -11.638 -16.258 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 20.516 18.599 -6.313 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 -0.912 -4.511 -1.641 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 0.433 2.492 -9.496 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 24.548 6.568 14.638 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 6.944 -0.470 -0.133 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 -11.251 4.094 -5.670 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 -7.337 1.401 -5.911 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 0.539 3.791 -5.587 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 5.058 -3.471 -8.059 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 -7.726 6.331 -9.247 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 0.493 -0.090 -4.106 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 1.102 10.402 -1.194 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 3.709 -14.911 -8.273 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 1.053 1.773 -0.034 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 0.268 3.530 4.940 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 6.002 16.888 -6.083 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 4.556 2.511 -0.495 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 15.229 -15.762 -10.632 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 4.579 -7.769 1.243 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 -3.748 4.078 -3.372 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 -6.338 7.305 -2.250 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 -10.931 13.525 -13.903 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 3.626 -2.411 2.949 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 -1.781 5.341 16.275 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 3.133 -10.072 -9.557 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 -1.928 2.891 1.566 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 4.520 -33.072 7.273 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 3.580 5.819 0.269 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 0.970 -10.767 0.602 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 -9.958 -13.481 5.517 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 0.718 -1.629 8.578 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 -1.472 -2.428 -0.213 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 2.781 -11.521 7.011 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 10.775 16.662 4.214 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 -1.140 0.468 6.599 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 18.371 6.320 13.295 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 4.352 2.717 7.155 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 2.696 1.309 0.831 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 9.811 -2.146 1.540 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 3.149 4.397 1.614 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 -6.360 -7.446 -0.956 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 -3.996 -20.178 -0.872 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 -6.745 -4.711 -0.551 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 -3.753 -7.612 -3.006 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 -6.256 -14.236 15.991 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 -2.363 -8.736 -6.426 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 3.379 3.743 -3.202 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 -7.786 -0.741 -0.015 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 14.299 0.862 -1.057 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 5.017 3.242 -1.919 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 -6.124 26.138 10.142 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 28.124 24.370 -19.972 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 1.941 0.380 -5.663 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 -14.717 6.666 -5.354 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 4.381 -0.440 -22.024 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 -0.100 -5.923 -3.799 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 -9.552 -21.553 -5.767 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 -7.576 -27.025 -10.238 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 0.748 4.909 -0.350 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 3.755 -26.283 16.682 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 14.516 0.109 -32.782 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 -4.864 -0.583 1.902 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 21.866 -11.669 1.745 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 -22.186 -29.551 3.952 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 0.562 -8.536 -4.932 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 -21.117 -0.436 11.538 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 5.080 -3.533 3.591 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 2.136 7.971 -3.002 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 -2.902 9.900 -1.757 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 6.522 2.542 -2.674 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 -2.771 -4.191 -8.012 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 -1.598 -7.620 -1.452 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 -1.951 -8.926 -25.031 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 3.283 1.674 2.616 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 5.567 -8.648 -22.113 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 5.363 6.813 6.336 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 6.733 -2.573 -2.105 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 15.578 -20.624 -24.814 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 22.351 1.656 -1.061 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 -3.036 -2.264 -0.338 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 13.910 9.504 -8.367 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 -4.038 -13.364 2.475 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 0.455 5.259 1.942 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 11.184 7.864 -11.286 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 -13.148 3.120 -2.939 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 -1.804 -2.555 2.451 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 -5.568 18.917 19.447 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 -4.626 3.442 19.216 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 1.620 -2.723 -0.891 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 -4.061 -5.029 -0.426 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 2.905 0.751 -1.458 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 -1.728 2.958 -0.878 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 11.668 -9.400 -14.927 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 8.956 28.724 37.865 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 -0.647 2.455 -5.906 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 -2.397 12.431 -6.636 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 -5.487 7.840 29.868 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 6.433 2.318 -0.491 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 6.590 18.018 -2.245 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 8.413 15.356 -12.394 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 -0.527 2.490 -4.215 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 14.973 10.375 -15.429 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 -0.124 16.256 -8.999 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 0.159 -4.417 -4.437 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 -1.450 -8.407 -1.250 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 11.539 0.255 9.887 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 4.281 -3.231 -7.474 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 16.953 -5.190 -21.811 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 -17.811 -5.926 -0.092 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 4.337 2.759 -3.188 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 13.631 0.369 1.881 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 8.510 1.111 0.585 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 -4.242 -11.656 -2.172 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 -2.934 2.421 -16.144 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 -2.229 -2.621 -12.613 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 2.455 1.159 5.860 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 -39.085 9.190 1.383 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 -1.460 1.368 -2.305 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 4.069 7.529 -3.325 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 6.571 6.761 -9.196 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 -7.964 12.863 20.840 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 -2.596 -1.527 -1.340 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 -19.112 -7.793 -6.786 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 -11.235 -27.826 22.993 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 0.465 0.259 -1.590 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 -8.855 -19.401 -12.856 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 -1.403 -8.559 -13.897 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 0.238 3.588 -2.723 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 2.265 13.594 5.927 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 1.042 -0.389 6.963 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 2.966 2.429 5.880 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 -6.222 -18.010 -0.241 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 -15.328 -1.933 21.325 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 -3.356 -0.986 -2.728 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 21.691 4.189 -3.711 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -9.689 -15.455 -8.638 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 -2.488 -1.294 -2.624 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 40.622 -10.226 8.140 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 -7.201 19.458 -14.568 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 2.338 -0.061 0.292 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 -7.672 -2.137 9.591 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 -21.653 4.738 -34.204 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 3.150 7.369 -0.076 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 1.980 -7.433 -2.436 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 -17.032 -17.403 -0.727 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 3.030 0.419 4.922 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 -8.971 -6.320 -16.127 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 27.379 -1.944 -2.262 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 0.544 -6.696 -1.228 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 -3.580 23.839 -7.470 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 -19.299 -22.974 -15.456 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 4.525 -0.086 -1.908 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 6.744 -4.235 7.164 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 24.320 -1.713 -12.168 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 2.234 -1.980 3.534 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 -2.913 -20.730 9.637 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 -6.024 14.257 -8.011 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 -4.326 -2.347 -4.784 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 16.076 -4.833 10.127 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 -9.949 -19.152 9.245 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 1.052 6.485 -1.646 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 1.419 -10.356 19.191 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 -5.200 1.839 9.804 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 -4.084 -1.135 9.379 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 -4.927 -11.677 20.572 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 29.886 9.207 -4.119 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 -0.828 1.818 -0.849 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 -10.713 10.840 6.349 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 0.901 -4.881 10.743 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 -1.244 -1.286 1.723 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 -8.512 9.385 -6.906 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 -4.826 2.054 -17.139 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 -2.227 2.769 1.715 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 -1.810 -22.036 -6.753 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 -5.731 3.139 -7.236 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 -0.151 -4.711 -5.785 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 -10.754 -18.849 -9.458 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 -14.541 -2.333 -11.121 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 4.138 3.163 10.551 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 29.434 17.931 6.262 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 -10.465 16.079 4.111 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 -2.265 -5.004 5.951 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 -11.797 0.138 3.036 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 5.981 -1.058 8.249 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 -1.737 -5.360 -4.397 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 9.102 -0.504 -3.218 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 -0.267 -26.697 -7.956 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 3.386 -4.054 6.001 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 11.325 -1.047 7.365 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 -0.768 -14.978 8.128 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 -8.559 7.022 3.213 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 -2.765 10.969 -5.147 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 -10.740 -3.775 4.475 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 -2.548 -9.996 4.681 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 -2.587 29.131 4.624 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 1.220 -19.862 1.714 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 -1.740 0.192 -3.345 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 16.954 -18.151 2.048 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 2.366 7.730 -23.731 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 -4.388 10.175 -5.905 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 28.570 -21.883 -8.301 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 -5.437 29.794 2.255 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 1.367 -5.432 -1.025 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 20.637 -11.043 -13.284 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 3.744 -14.613 -21.569 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 -3.947 0.033 3.069 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 31.696 12.134 2.122 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 10.279 5.395 2.443 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 4.973 -0.329 -8.663 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 -8.465 -7.899 -8.167 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 17.087 10.208 -8.063 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 9.133 4.326 -6.510 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 15.429 12.502 17.312 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 9.586 5.032 -3.187 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 -4.157 1.855 -5.133 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 -0.507 12.044 -8.631 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 0.160 10.235 -3.787 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 -0.262 -3.151 -2.466 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 -20.729 -4.602 7.134 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 0.708 -2.649 -3.255 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 -4.297 3.553 2.486 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 12.086 2.338 -4.844 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 -4.010 6.966 -1.908 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 1.640 -4.276 0.425 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 -10.857 6.737 -0.980 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 0.682 16.479 4.775 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 -0.984 2.308 1.233 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 -6.054 1.591 12.554 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 -7.070 -10.487 13.301 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 -1.125 0.220 0.434 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 2.582 -22.188 -10.488 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 -12.022 12.854 -10.946 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 -3.563 -6.244 -4.140 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 -13.972 20.266 -2.017 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 -0.824 7.888 1.660 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 2.009 -3.622 -6.351 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 -5.860 1.646 -24.899 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 -12.139 -0.398 6.446 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 -2.681 2.566 -0.093 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 -4.425 4.436 -4.500 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 -10.095 5.816 1.345 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 -2.269 1.478 -5.708 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 -50.674 -6.645 -4.145 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 -2.114 -7.034 21.194 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 0.707 -5.692 -5.982 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 -15.443 -1.698 -2.750 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 16.172 -6.107 2.447 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 3.963 0.681 7.992 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 2.824 -0.897 7.221 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 -1.290 -0.316 7.378 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 -3.646 4.285 0.165 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 -1.968 22.075 4.501 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 -3.154 11.109 2.547 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 5.080 -1.771 6.050 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 -22.228 5.528 -13.860 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 -0.244 6.476 9.382 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 -5.603 2.537 -2.264 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 -4.304 -0.542 8.274 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 10.028 -21.544 -17.456 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 -0.620 -2.829 -2.280 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 -0.734 -4.864 4.598 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 -15.728 5.121 -25.382 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 -5.186 -1.588 -3.459 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 -9.140 -14.194 3.652 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 8.589 -23.379 1.158 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 -4.110 -1.498 5.188 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 -17.074 13.669 7.682 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 3.754 -0.645 -8.148 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 3.276 -3.615 -0.617 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 5.105 -9.808 -14.892 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 13.493 21.386 -17.763 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 3.158 -3.616 -0.938 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 -4.065 6.655 0.791 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 21.176 -2.508 -6.692 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 -1.259 -2.127 7.073 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 -10.385 -8.217 4.738 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 -8.147 3.313 9.312 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 -1.062 3.116 -1.743 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 -5.598 3.660 -4.600 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 -5.202 -0.325 -6.957 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 -0.350 2.287 1.661 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 -2.973 -25.417 -5.785 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 -27.748 12.746 2.757 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 -3.955 5.572 -1.320 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 0.431 -5.090 0.628 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 7.011 -2.304 2.180 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 -1.206 3.447 -4.959 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 -3.345 -8.182 26.534 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 1.048 -27.787 -12.525 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 -3.258 0.786 1.500 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 8.101 26.246 -4.804 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 -26.351 -6.599 16.806 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 1.732 5.095 -4.834 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 5.407 -1.400 -0.727 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 -5.801 -4.252 5.876 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 -1.011 0.940 -1.514 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 -0.123 7.197 9.962 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 0.447 -12.843 -22.021 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 -0.862 -3.895 3.889 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 2.288 -2.995 3.029 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 8.823 -2.960 1.181 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 -0.240 -3.111 -2.107 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 -13.028 -13.088 -5.825 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 -4.778 -18.975 -4.113 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 -1.285 -0.619 -2.321 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 -3.132 -7.685 -2.476 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 2.618 13.290 -1.995 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 4.194 -5.942 -0.682 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 14.158 -6.843 -6.487 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 -5.100 -6.829 9.760 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 6.753 2.936 -1.729 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 24.388 -15.916 4.787 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 -9.768 16.208 -6.989 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 1.824 -4.244 -7.664 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 -5.569 -9.681 -23.710 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 -9.338 -8.160 7.122 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 -8.031 -0.591 -0.389 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 -6.696 -0.238 -1.895 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 1.786 -5.871 9.070 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 -3.569 0.258 2.914 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 2.196 11.393 -0.104 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 -10.977 -8.507 -0.118 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 3.409 3.412 -3.293 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 -4.066 2.269 -6.909 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 -6.953 6.821 -10.375 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 9.246 -1.564 3.551 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 2.589 2.037 3.778 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 -6.448 3.667 2.542 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 -5.512 -4.275 4.987 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 8.842 11.449 -16.510 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 5.857 -2.751 -7.414 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 0.454 -2.657 0.471 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 -6.741 -11.735 5.165 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 -3.636 5.015 7.558 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 3.738 1.945 4.897 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 2.196 -5.338 -3.637 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 2.088 -4.486 16.812 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 3.900 2.010 -6.852 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 7.498 11.378 2.031 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 -2.041 -0.501 2.177 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 -5.804 3.035 -0.595 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 -9.714 4.158 -2.653 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 25.727 -11.216 -13.557 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 0.062 0.022 -1.885 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 -1.191 16.247 10.446 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 5.152 0.544 -19.587 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 -1.676 -1.156 4.370 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 3.451 10.507 23.244 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 2.910 -23.702 -2.845 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 2.382 -6.123 1.954 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 -8.700 -4.826 4.441 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 -27.412 10.813 17.264 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 2.446 0.021 3.231 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 -4.843 -2.395 -23.854 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 5.497 4.283 5.650 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 4.531 -1.648 1.037 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 -0.002 14.216 -9.661 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 22.475 2.048 8.264 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 3.368 -1.601 2.266 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 -9.738 -3.024 9.186 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 13.243 10.562 6.018 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 -5.704 -3.580 -2.340 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 -2.045 0.564 -1.045 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 -6.228 4.715 10.023 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 2.352 4.282 0.180 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 14.235 0.553 13.695 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 12.212 -1.970 0.924 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 0.119 5.528 -6.103 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 8.712 0.797 -7.601 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 12.925 6.808 4.441 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 -7.895 0.359 -2.375 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 0.475 8.349 -7.116 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 13.202 19.600 -21.712 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 -4.044 3.550 -3.413 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 -0.304 -1.867 -13.269 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 -2.618 2.992 -6.666 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 3.691 2.289 6.262 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 -22.810 -17.342 21.549 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 2.440 -1.191 8.821 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 -1.150 -0.833 -4.479 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 12.263 16.129 3.608 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 6.957 11.645 8.106 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 0.014 -0.159 7.255 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 -1.343 -4.445 13.709 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 9.354 -8.907 -0.726 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 1.674 2.763 0.915 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 -5.168 6.526 5.320 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 -13.680 15.976 8.215 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 5.588 -2.214 3.975 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 -6.967 1.575 13.904 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 8.728 -2.243 -8.397 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 -2.395 1.979 -8.023 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 -6.918 1.115 -1.151 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 3.658 -25.337 11.973 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 -0.818 0.810 -4.035 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 0.223 7.313 -21.909 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 6.424 14.034 6.073 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 -5.448 1.992 1.419 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 21.957 -17.424 0.319 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 13.729 19.955 -15.929 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 -0.729 -4.229 -1.999 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 10.635 -13.363 -10.520 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 -4.880 4.174 17.595 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 3.471 -3.397 1.140 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 0.589 10.662 -3.653 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 -18.722 -4.176 3.541 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 -0.325 4.403 -1.413 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 -10.771 27.032 -5.755 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 -1.572 5.900 -2.453 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 6.626 -0.159 -6.592 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 -31.213 2.518 -5.699 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 -15.632 7.765 6.426 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 2.511 -3.509 -4.460 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 -14.355 2.990 -8.644 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 -1.556 -11.993 24.545 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 -0.188 -1.754 0.768 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 25.149 -2.344 22.115 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 14.495 -19.336 -17.702 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 -2.424 -0.740 -3.300 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 -14.788 9.123 -18.474 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 -0.576 -1.851 -2.148 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 1.331 -1.536 -0.209 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 5.848 1.879 16.535 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 2.889 0.908 2.092 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 1.505 3.874 -0.275 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 -3.462 -6.560 -20.110 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 -5.041 5.121 -2.344 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 0.145 0.531 -4.898 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 0.701 -25.491 9.210 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 17.116 -8.395 4.745 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 -4.552 -4.304 -2.788 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 19.245 22.124 1.114 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 10.383 14.700 1.938 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 3.276 0.315 2.418 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 11.097 -0.645 -14.214 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 -5.679 -2.014 -0.416 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 1.469 -1.447 -1.487 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 1.831 -1.574 -20.172 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 -1.734 -3.237 -41.628 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 5.939 0.447 -7.006 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 4.778 -15.295 -1.236 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 -7.000 8.160 -16.940 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 -5.478 -2.127 -1.516 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 7.242 -8.071 -7.306 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 -13.907 -1.588 -4.366 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 4.119 -0.473 0.725 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 5.739 1.400 -5.861 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 -1.678 11.996 -7.422 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 0.332 3.937 2.947 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 -0.825 6.459 2.409 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 7.955 -19.429 11.496 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 5.125 -10.417 2.722 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 12.399 -5.233 13.707 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 -1.213 -14.220 -6.079 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 0.576 -0.412 8.159 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 -11.720 -0.317 -9.650 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 19.926 -28.015 19.864 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 -1.397 2.301 -4.665 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 -11.296 8.644 -8.982 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 4.157 -6.504 -3.494 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 6.095 -1.864 -4.322 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 22.917 -8.006 9.771 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 7.807 9.330 6.136 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 14.480 -4.598 6.776 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 16.275 -5.516 1.505 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 10.292 -14.932 10.288 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 3.393 -1.023 -6.273 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 -1.335 -1.881 2.313 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 11.875 -4.467 -25.543 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 -1.617 -2.563 -3.041 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 -1.240 -6.292 -2.722 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 2.884 -10.490 -7.979 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 -3.456 -4.516 -2.636 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 -9.075 -2.019 -21.604 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 22.633 -27.757 -9.491 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 -0.439 -1.291 1.071 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 6.193 34.765 -26.382 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 11.437 -12.164 7.988 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 -4.734 -1.992 4.837 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 -9.966 -10.635 -3.197 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 -8.056 -8.963 5.248 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 0.291 4.800 -0.045 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 -2.040 0.308 -2.197 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 0.451 3.547 0.178 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 4.953 6.475 -6.860 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 6.819 -11.937 -14.215 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 -12.291 7.521 -10.868 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 -0.841 -3.567 -0.175 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 11.852 -0.381 9.226 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 5.034 -4.055 10.325 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 -1.927 -0.151 3.021 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 -20.689 20.674 11.296 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 10.380 -0.724 -1.274 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 2.810 -4.119 1.123 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 14.592 10.147 -3.605 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 15.574 -5.302 -2.059 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 2.650 0.401 -2.256 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 1.167 6.830 -5.328 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 -2.911 18.918 -7.508 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 -2.542 3.297 -4.075 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 -4.374 -3.509 -8.981 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 -0.159 0.124 -11.911 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 -3.050 1.713 1.452 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 0.057 8.705 -5.017 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 -9.853 -12.583 -10.913 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 2.875 -4.049 1.263 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 15.194 17.552 19.853 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 -5.799 -12.274 -26.530 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 0.478 1.892 -7.435 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 -23.575 7.678 12.869 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 -10.297 2.592 0.938 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 5.838 -2.688 -3.914 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 4.886 20.380 -4.630 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 9.369 28.208 7.450 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 -3.922 -2.514 2.358 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 -18.307 -12.237 0.141 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 7.738 -8.987 1.628 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 2.879 -0.236 2.260 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 -1.545 11.574 4.101 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 -4.389 0.951 -26.576 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 5.497 2.440 -2.060 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 1.673 -10.845 -10.662 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 -6.559 11.968 -13.657 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 -5.015 1.162 0.748 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 -17.542 5.100 7.823 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 -7.349 10.037 -9.616 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 4.798 -7.101 1.386 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 -3.995 3.798 -7.852 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 12.652 -14.231 12.947 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 -4.311 4.484 -3.473 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 20.256 0.389 -20.618 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 5.837 -7.022 -12.979 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 -5.449 -0.453 -0.670 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 -3.120 -24.849 -21.654 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 -9.482 -19.459 6.111 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 -0.561 8.373 2.436 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 -1.716 11.214 2.909 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 -2.306 11.860 3.176 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 0.483 -1.592 2.013 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 3.240 -1.730 10.965 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 4.979 -1.053 15.401 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 -12.593 -6.671 1.320 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 -16.073 -12.384 0.582 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 15.941 14.931 17.451 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 0.256 3.953 -7.906 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 -4.554 -10.855 9.619 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 7.908 13.396 -18.578 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 -1.265 -3.073 -5.104 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 6.086 -3.825 10.458 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 -7.393 8.990 4.156 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 5.094 3.361 7.521 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 -11.654 11.463 13.718 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 16.765 18.850 4.858 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 0.507 5.094 -7.819 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 -0.995 -2.250 13.516 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 1.058 7.590 -13.407 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 -1.722 -1.805 2.936 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 -4.153 0.919 -7.024 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 12.537 -12.122 8.318 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 -1.719 -2.546 7.304 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 5.306 -4.204 14.042 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 -33.115 14.687 12.114 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 -0.031 -2.077 -7.365 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 -7.867 -33.862 -2.793 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 -7.762 19.848 12.693 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 -4.057 11.586 1.004 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 -6.196 3.824 22.183 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 -5.712 9.780 10.196 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 11.677 1.264 -3.882 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 -24.494 -14.479 -23.120 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 10.290 -14.090 23.663 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 1.470 -0.083 5.045 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 3.551 -3.621 11.365 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 -4.754 7.341 -9.739 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 1.221 1.981 5.337 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 16.960 2.711 28.168 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 5.346 25.314 4.570 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 -0.073 -3.831 2.395 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 -13.279 4.699 -7.617 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 4.143 17.772 -3.094 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 -1.793 6.831 0.509 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 8.793 0.363 -23.726 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 0.256 5.082 -4.370 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 -3.372 1.306 -3.877 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 -4.583 5.375 -3.030 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 -1.447 -8.057 -13.246 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 12.184 3.697 -1.801 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 -12.826 32.721 5.037 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 -2.313 -1.828 -3.132 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 2.847 -6.987 0.145 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 -12.588 -22.505 -0.250 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 -2.478 6.255 17.160 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 1.420 -0.567 1.052 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 -3.213 -6.373 13.826 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 -3.225 -3.316 9.380 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 2.979 0.907 -0.137 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 -5.913 9.324 -10.860 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 -4.438 4.829 -7.355 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 -1.914 -0.839 1.197 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 8.173 30.205 2.491 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 -20.748 -43.663 -6.571 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 -1.276 -3.577 1.971 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 -12.703 5.429 6.480 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 -11.337 -5.909 14.749 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 -3.131 10.378 0.995 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 -10.427 27.970 -17.183 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 21.560 3.454 -4.909 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 3.789 -4.236 -1.428 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 12.328 0.338 21.613 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 -15.880 0.071 -2.073 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 -6.696 -2.235 -0.216 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 -16.364 1.860 4.160 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 31.764 -12.514 -11.976 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 5.396 3.483 -0.889 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 -3.450 18.612 -1.533 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 3.132 2.016 9.865 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 7.409 6.006 3.123 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 9.442 1.870 -35.190 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 8.544 4.857 -5.750 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 -2.357 -7.805 2.851 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 -6.365 -18.050 -3.420 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 17.228 -6.316 5.267 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 -0.048 -1.922 -4.463 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 -9.060 16.866 14.430 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 6.793 4.335 20.353 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 -1.238 2.108 1.340 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 -16.543 -0.299 -2.736 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 6.979 -5.584 -9.038 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 1.979 5.612 1.158 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 2.352 21.837 0.254 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 3.550 -2.130 12.939 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 -0.710 1.401 7.891 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 -1.289 -0.426 10.162 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 -3.867 5.357 5.502 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 0.466 3.270 -1.033 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 -11.526 -3.430 0.193 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 -5.144 11.571 -5.621 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 1.031 -1.806 3.991 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 -2.198 -5.383 -6.394 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 3.768 -5.516 -10.753 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 5.277 3.767 1.892 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 -10.598 9.569 -26.313 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 -7.102 3.335 -12.140 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 -2.569 0.362 -2.267 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 -16.037 -4.177 -6.306 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 2.771 -0.593 -3.530 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 3.063 7.761 4.538 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 -20.121 12.683 13.359 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 22.117 1.398 -2.855 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 2.074 -2.083 -2.419 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 3.476 -7.370 -6.464 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 7.807 -34.078 -7.542 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 0.370 0.191 6.543 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 -19.286 -13.956 4.131 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 24.049 -20.301 5.810 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 -0.904 4.313 -5.909 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 1.401 6.078 -17.238 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 -7.165 -7.915 3.930 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 -3.021 -1.512 2.960 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 34.744 3.174 -7.654 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 -46.436 -16.921 10.765 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 -4.795 5.311 -1.710 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 -13.177 13.844 -4.155 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 10.336 -8.749 -9.812 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 -2.006 -2.097 0.334 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 6.794 0.753 3.971 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 4.935 -10.291 1.833 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 -4.081 0.908 -4.221 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 10.783 7.352 -4.344 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 17.704 8.664 -1.666 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 -1.052 -1.508 2.838 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 -5.523 0.052 -7.008 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 -8.508 0.381 10.018 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 5.678 0.320 0.823 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 6.472 -1.277 15.512 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 17.927 4.031 25.349 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 -3.612 -0.678 -0.735 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 3.156 -16.156 2.984 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 -17.156 -2.730 -30.466 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 1.079 6.117 0.228 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 16.740 -0.495 -0.961 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 -2.081 9.632 -15.825 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 -1.335 3.517 -2.850 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 7.383 29.126 -18.203 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 26.949 -13.744 -2.888 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 0.810 4.346 -5.843 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 -0.431 10.411 -2.025 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 3.577 18.445 3.312 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 -1.449 6.265 6.267 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 -0.585 19.028 -1.087 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 -7.242 27.731 -4.290 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 6.047 -0.189 3.921 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 -6.351 -26.285 -13.178 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 11.446 -5.377 26.810 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 5.261 3.440 -3.642 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 -13.825 5.649 -24.427 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 27.743 10.704 26.873 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 1.465 -6.440 -7.599 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 2.843 -9.676 -2.251 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 24.463 -3.840 -11.602 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 -1.441 0.880 6.836 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 -4.541 -6.300 6.123 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 1.290 -0.788 1.309 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 -6.293 7.699 1.308 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 -1.269 3.062 0.226 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 -7.942 13.142 -6.289 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 -3.857 -1.254 0.686 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 -9.165 1.351 -1.820 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 -0.246 -2.436 -4.243 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 -4.756 0.182 4.761 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 -18.566 6.328 12.278 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 -2.363 -5.603 20.633 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 5.475 2.598 -1.911 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 0.515 -10.485 1.050 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 2.682 6.456 -15.424 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 1.751 2.604 0.630 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 -14.052 8.770 17.100 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 -0.208 -12.858 -13.640 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 3.623 3.921 1.282 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 5.947 -5.976 12.755 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 11.785 3.744 -4.250 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 6.918 0.077 0.322 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 43.406 -7.025 4.409 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 3.270 18.278 -7.920 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 1.690 -5.182 1.323 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 3.105 21.207 -10.340 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 0.937 -10.602 1.828 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 5.085 1.292 -1.799 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 -13.059 -15.198 -1.124 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 -8.016 -11.036 1.670 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 -0.409 -0.445 -0.708 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 -1.007 -6.349 0.900 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 -1.626 3.251 9.647 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 -2.033 0.733 4.507 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 28.220 -12.377 22.391 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 4.230 -0.916 0.179 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 4.765 3.122 -8.715 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 -9.619 4.918 6.635 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 5.418 -6.271 -4.668 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 0.696 -3.024 1.593 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 10.606 -12.934 -14.943 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 3.641 17.058 -3.944 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 1.765 0.299 -6.229 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 -2.455 18.118 -1.471 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 23.333 31.249 10.067 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 2.388 -0.935 3.287 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 19.347 -14.661 -13.423 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 12.277 -0.769 -3.536 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 1.228 -0.740 -7.109 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 2.563 -13.781 3.941 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 19.664 -5.213 -8.791 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 5.982 6.088 2.926 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 3.524 1.532 3.609 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 -4.815 -8.583 -0.414 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 3.904 0.898 2.641 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 3.519 1.982 -1.012 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 5.059 25.008 -12.314 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 0.555 -0.428 6.971 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 -4.665 -3.346 6.327 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 -3.676 -3.513 -10.301 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 -5.004 -0.289 1.712 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 -9.051 -2.519 -4.179 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 -5.355 11.662 -3.842 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 3.655 1.019 -5.078 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 1.022 -26.144 -0.688 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 6.642 -8.411 12.334 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 1.272 2.118 0.697 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 -18.835 7.698 6.069 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 6.258 -7.482 20.289 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 5.192 -4.261 -3.495 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 8.808 -0.843 -7.075 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 5.167 -4.686 -3.150 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 0.293 3.837 4.246 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 -3.404 22.803 -6.416 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 -9.904 0.811 14.484 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 -3.157 -4.211 3.793 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 -0.733 -7.454 12.732 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 0.638 -5.265 1.718 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 -3.628 1.291 4.489 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 3.914 -19.330 6.767 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 7.217 -12.897 0.488 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 1.950 -1.720 -2.951 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 3.445 -8.675 17.946 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 4.881 16.390 0.074 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 -6.363 0.720 -0.902 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 -28.285 7.918 11.897 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 15.545 -14.229 3.916 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 -2.022 3.898 0.219 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 -6.428 1.361 0.957 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 -0.982 6.235 -2.374 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 -0.153 3.914 0.124 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 7.972 14.123 -16.742 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 -29.758 -17.378 -7.285 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 0.283 -0.846 7.021 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 -1.789 -2.671 8.775 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 0.926 3.816 13.553 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 -4.762 1.707 2.379 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 -15.418 3.638 12.217 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 -8.648 6.105 12.570 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 3.419 0.015 -0.494 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 -2.786 -4.546 -4.928 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 8.605 -10.446 13.327 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 -5.206 2.347 3.501 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 -23.495 10.785 1.436 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 13.618 -18.485 -13.932 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 5.453 -4.497 -6.515 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 -7.857 11.885 -7.034 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 12.151 -5.609 19.159 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 -3.960 10.196 2.122 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 6.052 -2.153 -3.172 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 -6.281 12.548 1.633 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 2.405 5.294 -4.146 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 7.129 10.078 -5.657 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 0.078 4.107 -9.987 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 -2.455 -4.220 -6.658 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 -2.028 -0.170 7.072 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 -2.692 -5.928 -13.111 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 -1.467 -1.733 -7.677 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 11.352 0.473 -19.774 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 7.682 -4.695 7.955 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 1.067 2.555 -10.503 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -17.285 -1.683 4.177 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 14.472 5.787 -4.548 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 -2.213 -4.168 -2.913 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 -1.801 -20.292 6.815 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 2.526 11.245 9.038 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 4.499 -5.833 -2.711 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 -7.359 -5.182 -12.597 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 -24.525 -9.776 -4.484 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 -0.111 -2.358 3.523 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 2.947 -22.196 7.858 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 6.207 7.252 -5.205 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 -2.515 -1.633 2.047 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 -6.847 -3.607 3.040 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 9.519 2.705 2.318 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 2.127 0.334 1.118 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 2.791 6.135 1.147 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 -1.933 -10.652 -3.981 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 -4.282 -3.326 -2.194 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 3.552 -8.837 3.813 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 -3.219 -2.897 -0.254 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 -1.509 0.225 5.507 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 -6.806 16.458 -0.568 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 -4.017 -3.689 -6.397 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 1.874 4.391 -2.810 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 -0.760 -10.380 9.774 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 8.374 16.464 9.445 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 2.633 3.084 -4.115 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 -7.036 1.906 -7.093 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 1.616 17.839 -2.941 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 -6.316 1.991 5.109 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 -19.055 -7.040 0.821 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 -8.087 2.595 6.826 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 -1.486 7.688 3.438 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 18.411 8.955 -24.366 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 -12.476 -6.503 0.288 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 0.726 -5.688 -2.083 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 15.338 -15.213 20.556 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 -15.035 -21.124 -16.838 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 0.092 -0.306 -0.676 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 9.204 -12.349 4.374 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 -5.307 6.564 -17.771 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 2.421 -7.048 -0.769 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 -18.696 18.627 13.971 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 12.511 -18.778 -4.019 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 6.033 -5.554 -11.054 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 12.278 9.326 -8.790 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 10.514 -16.276 5.455 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 3.390 4.506 3.274 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 -1.832 -15.001 -16.687 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 -8.289 12.276 3.465 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 -0.585 -0.602 -1.640 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 5.071 -7.608 -4.822 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 -5.048 15.227 -0.561 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 -1.344 1.620 6.366 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 -7.611 1.275 6.307 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 2.969 0.176 8.531 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 -3.707 -9.729 -2.394 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 -0.989 -1.124 -4.523 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 -18.945 2.684 -0.699 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 -0.512 -6.434 -8.443 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 -17.196 -23.557 18.474 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 35.789 -11.893 3.858 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 4.420 -3.734 5.365 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 22.323 11.470 -13.248 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 6.735 -31.918 -10.872 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 -1.061 1.724 -1.179 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 16.072 -13.069 27.104 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 -33.722 -3.637 9.734 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 2.554 -0.931 -4.343 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 20.209 4.459 -5.878 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 -3.291 3.537 -0.082 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 -2.765 -3.531 -2.377 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 -2.991 1.245 -2.310 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 3.777 1.571 0.518 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 8.587 -3.004 0.198 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 26.771 3.947 5.507 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 -3.661 -9.688 11.676 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 -3.060 1.202 0.155 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 6.121 -8.503 -6.549 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 -12.172 -14.034 13.594 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 -1.502 -0.300 1.018 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 -12.095 -13.604 -4.393 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 4.073 7.899 3.222 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 3.408 0.801 0.094 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 -33.589 15.239 -3.369 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 -5.202 -10.672 -0.641 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 2.829 3.637 5.746 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 -7.652 -7.130 13.602 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 -7.501 7.979 -7.059 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 -1.710 0.548 0.073 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 7.663 21.317 -28.778 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 30.913 -14.855 11.357 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 -0.503 -3.204 2.821 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 10.822 -0.709 19.333 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 -18.542 -4.115 16.986 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 -3.106 5.955 -1.052 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 23.106 10.112 -14.864 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 -6.042 -16.950 -25.556 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 3.430 5.121 2.590 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 -2.542 -6.879 13.664 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 -4.842 2.537 10.616 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 -1.193 -2.742 -0.485 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 -29.007 -19.054 -6.111 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 5.308 21.811 -23.301 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 3.524 6.559 -2.905 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 0.436 -6.302 -13.725 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 5.294 -0.937 -11.308 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 -3.423 10.646 4.292 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 4.562 8.938 2.951 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 -16.780 3.031 9.372 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 1.841 -1.112 -3.743 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 1.424 10.783 -8.579 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 -11.542 -5.808 -13.794 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 3.185 4.220 -6.219 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 21.264 6.650 -10.864 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 0.803 -10.134 -10.818 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 5.393 -2.470 5.836 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 4.410 16.937 -10.182 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 5.179 3.581 1.582 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 7.044 0.772 -6.257 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 2.497 -20.144 4.262 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 9.243 20.651 -17.704 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 2.340 -2.876 2.454 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 -10.391 17.692 -12.448 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 6.424 6.077 1.140 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 6.375 0.172 3.568 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 -14.419 -11.569 5.716 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 33.246 9.268 -3.312 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 5.272 2.081 -4.020 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 4.240 -10.396 8.811 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 10.618 -4.906 -17.147 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 -2.949 3.774 5.865 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 -17.577 0.917 -6.169 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 -6.832 1.711 29.450 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 -7.174 1.934 8.687 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 -5.569 3.161 18.885 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 -7.749 11.748 -3.501 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 -1.319 7.813 0.450 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 -23.021 -11.626 13.293 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 4.659 44.034 -22.272 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 -3.116 2.055 0.560 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 18.306 20.038 11.647 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 6.350 -3.453 -29.987 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 1.147 -4.314 -4.235 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 -10.089 2.827 7.876 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 13.501 0.111 -9.340 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 5.068 -1.342 2.925 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 14.464 -13.620 -2.105 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 1.250 -6.702 13.552 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 5.429 1.401 2.666 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 5.281 -3.004 5.037 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 -2.733 -16.731 4.590 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 -2.659 2.291 -1.996 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 2.747 6.941 5.989 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 -3.408 -2.491 8.421 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 -1.479 2.478 -3.326 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 0.976 1.104 5.952 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 4.138 9.082 -6.106 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 -5.219 -5.928 7.471 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 -8.861 -2.195 12.250 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 -11.535 -6.271 -0.946 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 10.172 -4.995 4.027 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 -26.863 11.852 1.791 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 -0.425 -14.772 -11.935 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 -0.613 -7.491 1.506 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 -3.286 -6.507 36.952 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 43.719 -7.381 -0.028 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 -1.598 0.543 2.580 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 -9.375 6.728 25.426 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 -7.440 11.273 -11.312 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 0.033 4.101 1.729 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 1.750 5.755 -3.002 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 2.675 12.750 -19.188 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 -0.507 -1.611 -1.070 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 11.252 1.329 11.460 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 1.143 -0.437 2.452 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 -4.429 -3.690 -0.510 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 11.079 -0.720 15.653 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 -4.178 -21.795 -3.440 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 -2.405 1.259 -1.458 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 14.817 -0.983 -5.441 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 20.903 8.998 -6.608 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 3.796 3.482 0.612 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 15.418 5.608 0.851 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 20.803 7.687 8.677 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 2.407 -3.538 -2.898 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 44.924 2.597 -22.079 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 4.800 2.898 4.974 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 -2.184 -3.197 5.219 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 -1.659 -1.912 5.041 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 -2.008 -7.524 5.750 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 -0.149 7.579 0.158 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 16.147 -1.755 -4.374 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 -15.988 7.165 4.212 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 8.201 -1.193 -4.545 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 10.418 -13.851 3.985 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 1.505 4.803 -1.667 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 -2.139 11.812 -5.194 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 20.571 4.140 11.509 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 -18.012 19.343 -6.708 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 -3.406 1.553 -3.925 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 -12.666 4.545 -17.287 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 28.193 -9.370 -6.235 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 0.616 4.105 -3.791 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 13.201 5.612 -21.110 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 -0.544 -12.041 -3.793 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 4.523 -6.790 1.422 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 -11.694 -40.557 -4.656 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 19.351 10.787 -4.485 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 -2.245 -4.528 2.282 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 8.489 11.796 -16.629 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 -25.458 4.106 0.897 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 0.518 1.051 -3.425 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 0.993 -5.782 -9.925 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 3.667 18.016 9.721 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 3.603 -0.008 -1.043 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 7.533 1.219 -5.253 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 0.734 11.964 15.929 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 -2.370 3.635 -2.154 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 -2.575 -1.139 8.772 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 -15.554 7.985 -4.099 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 -3.043 -4.169 5.650 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 0.372 5.156 5.144 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 -9.287 -7.856 -2.302 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 -0.074 1.192 -2.441 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 -10.132 8.292 2.011 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 -10.098 1.483 -4.025 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 -0.971 3.108 -0.976 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 -3.761 2.120 -3.330 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 16.429 -1.478 0.064 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 -2.493 -1.570 1.411 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 1.068 -2.224 -6.522 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 -4.560 28.827 3.385 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 -2.221 8.402 -6.417 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 -3.751 14.869 6.641 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 -12.878 4.679 21.542 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 2.930 -3.850 -1.622 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 15.814 2.652 2.712 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 3.964 -5.767 -8.713 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 -6.483 1.426 -0.995 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 -7.647 -7.850 2.544 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 -11.556 10.154 -10.894 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 -1.672 5.688 2.493 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 -10.370 3.029 -16.709 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 4.359 20.184 27.316 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 -0.157 -6.141 -3.008 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 13.208 -3.925 -13.253 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 -3.315 -3.045 -2.459 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 -1.872 -1.877 -5.604 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 -12.836 -12.239 -4.880 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 -2.710 -7.083 19.288 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 -3.386 3.659 0.930 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 -32.520 -4.909 -17.531 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 -19.336 -1.447 -8.953 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 6.343 1.957 4.648 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 -2.950 5.388 -5.468 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 -10.514 -3.774 -3.306 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 2.704 -0.473 -1.055 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 5.328 -11.449 -2.634 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 1.314 -3.736 3.714 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 0.077 -2.012 6.318 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 -7.365 2.944 4.695 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 -6.663 -12.080 -4.742 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 0.264 -5.577 -2.151 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 10.147 5.519 9.442 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 -1.274 -10.243 1.113 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 1.747 -1.338 -9.057 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 -9.351 7.157 3.511 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 0.078 2.327 -1.248 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 -2.926 -1.752 -4.843 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 -3.672 2.404 -4.763 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 0.599 -1.847 -2.564 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 2.608 5.243 1.944 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 -3.381 7.829 2.299 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 4.683 3.862 1.795 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 5.034 4.073 -3.239 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 16.255 -8.809 -0.450 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 27.496 19.960 11.307 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 -5.992 -2.113 -7.172 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 -5.962 -10.542 -7.728 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 -0.147 -1.720 -17.896 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 -3.702 -2.423 -0.337 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 -8.853 -2.714 -10.489 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 -0.960 14.665 3.429 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 -0.333 0.758 -2.316 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 6.585 5.449 6.161 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 -6.013 -4.307 5.605 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 1.376 -7.562 2.283 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 -23.433 -6.782 -2.636 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 23.696 -9.808 12.465 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 2.874 0.124 6.604 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 7.345 -1.281 11.284 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 4.596 -8.243 23.489 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 2.898 3.361 1.678 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 20.433 -6.687 -21.690 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 16.667 -1.133 -15.286 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 0.795 7.100 0.998 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 -6.016 14.686 -9.077 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 14.175 18.035 5.845 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 -0.277 -0.090 0.062 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 18.599 15.980 2.827 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 -9.135 5.028 -27.012 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 1.687 3.045 1.879 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 7.914 19.018 -1.288 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 -3.656 -8.671 0.900 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 -0.773 -5.070 2.347 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 -10.290 -27.881 6.861 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 -6.230 -15.914 -6.918 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 -2.875 6.833 -4.655 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 5.122 -1.459 -4.146 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 -9.461 4.320 4.077 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 -1.929 -7.757 0.897 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 -10.884 -6.465 -0.961 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 18.877 6.670 19.450 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 -1.307 -1.325 0.467 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 25.162 8.916 -1.914 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 -8.581 -14.869 -26.927 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 2.466 -1.976 -6.551 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 12.394 2.315 12.624 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 -3.108 3.823 -28.648 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 -1.684 4.211 -0.801 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 21.596 12.873 2.191 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 -2.508 18.007 0.570 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 -9.759 0.326 0.561 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 6.813 0.702 7.706 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 -39.552 21.696 -3.477 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 4.055 -6.044 -0.392 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 -19.961 -8.964 8.771 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 13.876 -22.350 2.598 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 -2.437 -2.084 5.317 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 -3.329 -1.957 8.390 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 20.123 -7.718 -18.548 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 0.390 -0.952 -1.791 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 6.660 2.124 -3.469 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 -3.590 -2.626 -0.345 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 -6.405 1.329 -1.085 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 3.298 12.160 11.233 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 -6.722 12.541 7.403 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 0.655 -3.998 -1.519 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 -5.690 -1.220 22.088 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 1.476 4.490 7.713 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 2.614 -2.266 -4.336 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 3.938 -4.447 -5.355 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 -0.114 3.342 2.314 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 -2.152 -0.448 -2.557 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 -1.539 0.451 -1.877 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 2.632 1.567 -11.949 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 3.093 1.372 3.480 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 17.923 16.087 -12.468 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 -12.479 15.208 23.724 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 -3.656 4.649 -4.214 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 -4.090 0.645 -4.328 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 8.658 -28.968 -8.513 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 -1.047 -3.122 -5.497 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 -14.754 -8.546 -3.956 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 33.786 22.376 11.209 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 -1.705 0.969 -3.086 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 0.373 -9.419 -12.281 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 -20.205 -1.885 -1.539 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 4.357 -8.253 -2.900 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 13.768 9.913 -18.855 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 -5.040 -31.925 22.902 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 0.661 -0.292 4.885 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 -4.104 -9.170 -12.652 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 4.802 -0.929 -1.052 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 -3.798 0.069 0.097 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 -1.069 5.012 8.503 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 -6.856 7.750 -7.018 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 -0.991 -8.657 -2.557 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 -18.001 -0.776 -29.212 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 -5.182 -14.646 -21.241 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 0.187 2.700 -0.706 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 6.534 0.806 -13.758 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 6.649 -11.105 9.198 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 -1.055 3.452 -3.991 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 -4.515 -13.884 2.472 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 13.062 9.193 4.398 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 4.399 -0.737 -4.382 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 5.424 -4.815 -7.738 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 8.581 6.764 13.642 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 1.247 -2.213 -6.144 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 1.959 -9.815 -2.551 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 -6.089 -0.131 -6.622 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 -2.459 -8.002 -1.924 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 -3.081 -4.885 9.888 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 -2.769 -8.788 -6.925 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 6.381 -1.912 0.147 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 6.881 -9.151 -2.801 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 6.862 2.032 2.159 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 -2.343 7.490 0.629 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 -2.404 6.536 0.166 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 -12.010 2.855 8.501 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 -6.227 3.882 0.471 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 -0.461 26.658 8.704 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 1.862 3.737 -15.300 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 1.887 5.845 -9.269 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 -25.428 -10.736 -2.426 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 -4.041 32.507 -22.054 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 0.466 -9.175 -0.686 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 -17.250 20.195 -24.249 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 -6.675 -10.255 -5.862 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 3.670 -1.043 0.223 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 -8.155 7.299 12.145 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 5.597 -15.178 2.250 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 0.341 -4.013 -6.576 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 -8.956 19.261 -8.051 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 -22.474 -21.722 -2.147 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 3.478 3.624 -6.654 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 -4.494 -0.716 -20.351 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 -3.906 17.875 -2.084 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 6.407 -1.811 -0.344 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 -3.212 9.673 4.298 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 19.730 -3.802 -3.626 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 -3.071 2.666 -0.347 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 -23.146 4.994 -4.074 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 7.531 4.876 -7.951 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 -0.994 -1.119 6.817 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 -18.547 -6.709 8.777 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 -16.088 -5.589 6.598 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 -2.153 4.162 3.388 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 0.421 -1.865 4.021 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 -3.356 -11.022 -4.765 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 1.114 2.616 5.317 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 -5.877 -18.253 1.128 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 -11.453 12.999 22.325 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 3.357 -1.731 -2.304 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 1.904 -3.056 -12.136 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 11.595 12.761 -16.568 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 -3.271 -6.362 -1.544 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 -5.092 -10.777 -0.882 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 -3.740 -5.049 -0.044 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 4.846 -5.871 0.754 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 3.576 2.601 -0.006 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 4.103 -17.802 3.482 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 3.580 0.827 4.774 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 -31.143 -13.345 -17.298 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 -13.578 -17.173 9.457 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 6.052 0.699 3.742 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 -10.920 13.020 0.239 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 32.998 -17.791 1.781 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 -2.263 -2.461 -0.627 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 -10.955 -9.060 -34.900 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 28.090 -14.877 -1.793 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 -2.503 -5.122 -1.847 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 13.478 5.392 12.747 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 -2.355 0.303 -13.489 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 7.795 -8.916 0.767 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 -0.047 -9.177 -4.119 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 20.111 -4.707 -5.764 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 3.732 3.902 -4.219 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 -2.662 1.291 -1.072 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 12.118 13.560 -2.235 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 -1.488 9.184 -5.667 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 -1.224 7.121 -13.813 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 4.789 9.916 -2.737 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 -4.089 -7.912 3.394 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 -6.713 -0.638 -3.637 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 1.508 -17.493 12.295 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 3.538 -2.624 -3.855 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 3.665 0.268 -1.276 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 7.088 19.108 16.401 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 -3.163 -3.474 -1.157 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 5.595 -0.214 10.143 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 -5.196 -3.513 17.958 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 -1.427 -1.495 -0.197 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 -5.621 17.721 3.713 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 -22.326 1.007 -17.626 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 -0.131 4.600 -0.156 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 -0.625 -11.165 2.951 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 -8.055 6.449 10.185 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 4.663 -6.905 4.847 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 -11.537 1.545 9.144 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 -1.659 5.696 -10.374 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 0.422 1.170 3.230 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 15.931 5.986 3.370 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 8.533 -3.578 -6.613 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 0.387 2.302 -1.330 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 -8.967 -20.505 -13.677 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 8.616 2.471 12.466 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 2.787 0.372 -2.125 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 -15.185 2.544 -19.585 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 9.339 0.883 6.022 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 2.181 -5.054 -0.046 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 -2.026 -18.035 -1.917 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 -9.201 1.803 -2.016 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 -9.002 0.119 0.320 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 -6.879 8.304 -6.760 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 9.439 -9.512 8.719 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 -2.467 -0.017 -0.556 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 -17.752 -5.892 -1.165 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 -11.395 6.484 0.400 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 -0.817 7.392 4.757 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 24.242 9.285 2.295 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 22.201 -9.718 0.126 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 -4.634 -0.894 0.567 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 -11.202 0.294 -8.753 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 -13.988 11.585 3.697 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 6.009 3.698 2.088 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 0.974 -14.301 10.559 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 -1.624 -3.956 2.959 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 5.960 -2.162 4.419 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 19.499 -17.129 -12.852 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 1.515 -5.181 7.751 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 1.935 -6.657 -5.637 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 -1.036 -39.235 5.058 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 9.665 6.460 8.553 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 -9.376 0.411 -1.346 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 -0.137 -5.853 -14.943 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 -9.136 -9.772 -11.170 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 0.239 5.088 -0.859 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 6.021 13.099 -16.383 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 13.419 -7.829 13.978 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 1.580 0.953 -0.784 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 3.857 -4.175 -11.381 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 11.729 -7.631 -1.246 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 -7.359 5.157 4.089 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 8.462 -4.717 -22.262 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 19.340 0.167 -29.407 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 1.558 -3.415 1.440 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 12.444 -0.840 10.703 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 2.584 15.545 -20.822 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 1.715 -0.774 4.023 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 18.091 -20.268 22.914 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 14.557 12.839 -7.949 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 -0.293 3.862 4.549 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 -5.144 5.921 47.442 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 4.262 11.183 7.343 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 -1.830 -2.249 -3.532 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 2.917 -7.837 14.849 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 -18.998 -10.370 -7.243 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 -0.902 -0.098 1.450 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 7.740 11.668 14.498 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 -9.598 -22.498 5.538 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 -4.555 1.315 -7.691 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 22.542 -18.831 -33.857 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 -1.495 0.537 -6.688 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 3.179 -4.557 -9.002 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 -1.833 -35.128 -41.539 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 6.240 9.618 7.040 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 -5.992 2.255 -7.210 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 1.694 22.276 18.996 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 -2.963 6.241 -7.188 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 0.040 -3.120 0.928 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 -8.868 1.375 -21.681 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 23.967 2.032 0.644 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 -0.307 -3.418 5.583 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 18.892 -9.331 -26.144 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 12.928 -5.119 1.591 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 -0.737 -2.520 0.510 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 -12.759 7.256 4.590 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 15.333 -6.825 -26.144 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 -4.384 0.304 1.864 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 -3.084 -7.892 11.959 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 7.912 13.665 -11.985 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 0.657 -3.291 6.631 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 15.036 8.116 3.291 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 7.960 -11.647 3.455 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 1.875 -1.798 0.420 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 -2.902 -6.891 13.921 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 5.650 -11.367 5.504 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 -7.098 -1.488 0.263 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 -3.106 -0.298 6.424 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 3.684 -1.409 10.399 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 -0.333 -5.987 -4.447 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 -0.025 -4.023 -3.803 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 -1.954 -6.962 -5.995 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 4.956 -2.265 -0.584 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 11.100 -23.807 15.344 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 14.926 3.630 -1.219 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 0.616 -7.170 -1.339 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 18.817 -4.973 28.527 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 -1.814 -4.055 -1.439 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 1.611 0.988 -1.298 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 6.461 -16.778 -2.519 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 4.857 7.985 -4.199 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 2.918 -3.647 0.038 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 7.499 4.859 2.975 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 0.589 -22.254 -34.397 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 -4.567 4.883 -5.939 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 -45.373 -9.521 4.699 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 -8.226 0.931 -9.776 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 -2.581 -0.057 10.006 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 -10.175 2.259 11.284 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 0.099 -13.539 10.866 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 1.233 -0.121 -4.262 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 3.397 -10.129 -1.349 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 -23.935 -15.487 -21.631 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 -0.239 1.758 1.812 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 -3.460 -18.053 -2.028 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 0.355 -10.508 -4.834 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 -9.069 -6.425 0.515 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 -11.203 -13.516 3.471 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 -19.881 -9.575 -5.488 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 1.194 1.718 1.445 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 0.520 11.547 3.010 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 -27.667 -11.338 28.247 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 0.471 -5.250 5.549 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 0.485 -4.186 6.730 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 -1.750 -6.239 7.576 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 -1.206 -5.879 -6.957 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 17.633 4.051 -16.351 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 -17.465 7.138 -6.611 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 -2.218 -3.657 1.459 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 0.594 11.181 4.139 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 5.602 -3.645 5.609 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 -1.300 -3.485 -0.794 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 -3.801 11.402 0.257 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 1.005 -6.002 -2.284 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 -4.003 -2.391 0.681 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 -6.377 -2.079 1.140 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 -15.266 -9.664 1.105 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 6.778 -6.095 3.825 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 -9.076 -4.328 2.581 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 6.363 7.097 5.637 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 2.576 -2.491 -2.679 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 -5.267 1.255 -15.115 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 -2.905 -1.417 3.364 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 5.677 -1.404 0.161 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 1.322 -5.536 7.496 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 -3.430 4.048 -6.420 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 0.152 3.710 -4.152 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 6.596 13.654 -13.406 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 -14.012 -18.700 -2.317 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 -1.365 -3.769 1.240 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 3.778 -8.829 21.992 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 2.672 -30.804 -2.191 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 2.069 -0.489 -0.652 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 -32.994 -0.540 3.469 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 12.715 -24.945 12.959 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 4.227 2.665 -2.227 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 -8.805 -8.230 2.836 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 -21.708 -24.082 28.098 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 0.257 1.827 8.991 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 21.395 6.594 -3.614 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 -15.927 -0.139 -7.167 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 -0.610 -0.899 2.707 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 -0.691 7.644 -2.884 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 0.725 -3.149 4.824 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 3.929 -0.099 -10.509 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 3.782 -17.648 -12.056 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 4.074 -10.551 -11.620 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 1.277 -3.638 2.322 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 -8.249 21.603 3.978 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 -10.158 -13.119 -9.087 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 -8.434 -1.255 6.093 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 -17.945 -2.731 -1.820 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 -8.807 7.895 4.872 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 0.653 -2.353 -0.802 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 -6.181 8.865 11.791 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 -15.343 3.842 1.198 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 -3.654 -3.672 2.874 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 -7.150 -4.343 -1.747 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 0.123 5.668 20.379 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 -4.649 6.978 4.768 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 -21.314 5.921 14.575 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 -6.725 -0.726 15.620 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 5.502 -5.427 -1.021 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 10.488 -14.204 2.122 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 -2.105 3.109 -1.456 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 -1.538 -4.742 6.840 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 -19.681 35.809 23.173 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 -5.094 5.355 8.848 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 -1.617 0.624 -2.076 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 14.652 5.657 -12.191 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 6.189 3.474 -8.335 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 7.146 -5.042 -0.701 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 -3.782 1.540 7.422 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 14.244 -8.463 -1.733 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 -1.702 10.375 -3.394 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 -16.055 -16.887 -25.859 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 -9.221 -7.179 -6.603 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 -2.035 -1.288 6.588 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 0.710 -17.249 13.440 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 11.550 1.133 4.888 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 -1.570 4.035 3.679 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 16.427 -16.153 -15.193 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 15.408 15.840 -0.450 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 -2.963 -1.129 1.515 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 -16.475 5.748 -6.647 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 8.830 3.664 7.642 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 -1.243 6.361 -1.558 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 -1.542 12.263 -3.778 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 3.047 1.864 -0.497 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 0.342 5.666 -1.957 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 -9.173 -18.733 2.851 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 1.738 11.421 0.394 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 -3.292 6.976 -1.269 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 -7.987 -3.319 14.902 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 13.070 -3.615 11.259 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 1.106 3.468 5.390 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 -30.524 -6.038 -15.567 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 30.438 -24.933 -6.492 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 -3.127 -3.401 -1.332 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 -10.361 13.447 2.747 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 -7.193 3.726 -4.358 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 3.423 -1.890 0.288 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 6.006 -6.907 3.802 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 -1.059 5.230 -5.045 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 4.051 -1.497 0.558 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 4.157 1.303 4.682 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 6.730 2.865 -3.155 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 -1.995 2.875 -7.288 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 6.532 29.734 10.272 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 3.405 21.960 4.271 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 2.004 -4.630 5.523 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 8.921 -7.323 12.972 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 10.017 2.890 -2.530 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 -5.056 4.399 -2.947 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 2.827 19.330 0.461 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 -0.667 8.938 -1.688 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 2.855 3.810 -2.973 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 12.391 4.805 -27.233 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 -9.551 -3.407 13.442 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 6.389 0.762 -0.524 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 7.077 -2.498 18.243 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 -16.977 7.872 -6.995 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 3.151 -2.154 -4.893 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 -4.000 4.305 -16.161 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 -30.753 -5.552 -9.908 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 -1.737 -0.797 -1.697 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 -10.943 -5.077 -0.612 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 23.183 6.744 -8.024 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 -9.394 4.855 -4.498 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 -10.319 25.610 3.375 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 7.272 11.402 28.537 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 2.817 -8.547 -3.208 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 7.101 -10.707 10.788 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 14.343 6.448 16.160 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 -1.550 -4.999 1.967 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 11.575 -13.381 9.408 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 -6.209 3.895 14.758 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 2.246 -0.553 -1.837 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 4.285 27.855 -7.414 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 -15.489 -11.198 -9.675 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 2.679 -3.943 2.054 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 -3.292 3.749 -4.810 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 -0.685 -1.297 -9.525 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 -4.137 3.420 -0.629 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 -46.967 -5.722 -19.978 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 11.224 18.077 7.339 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 -1.197 -2.339 0.928 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 4.204 -1.091 30.122 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 -1.461 -2.288 0.603 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 -3.415 5.182 -4.019 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 -6.106 -4.868 -3.589 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 -13.218 13.083 -1.112 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 -2.474 4.115 4.861 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 -22.796 5.698 -1.082 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 7.492 -0.854 -12.908 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 -3.865 4.251 3.386 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 2.114 5.854 7.225 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 -7.454 2.495 8.519 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 2.193 3.982 2.388 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 -23.169 -26.718 0.668 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 27.118 9.832 0.711 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 0.613 -3.690 -3.465 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 1.036 -4.337 -7.762 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 4.750 5.673 -3.612 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 -3.050 -0.995 -4.142 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 -1.331 14.388 -5.976 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 -21.568 2.771 13.616 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 2.918 -1.843 -4.873 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 -13.810 -31.600 -8.285 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 -3.943 -11.098 -5.036 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 -0.239 2.057 3.693 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 -11.039 -13.772 -6.785 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 12.858 -2.737 5.815 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 4.552 -1.280 -1.387 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 3.592 35.399 2.178 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 10.356 -27.499 20.485 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 4.891 -1.447 2.021 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 -1.049 -9.889 3.255 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 0.330 14.221 8.654 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 5.097 -1.506 -3.305 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 -7.221 5.019 -6.603 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 2.644 -10.303 8.094 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 -3.669 -1.289 7.006 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 -12.994 -2.381 2.499 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 -1.568 1.579 0.930 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 1.782 -2.998 -1.710 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 6.749 -12.267 5.785 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 -10.069 3.012 5.512 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 0.207 0.148 1.185 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 -8.773 -5.502 27.853 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 9.699 8.139 -12.001 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 2.232 4.736 -6.541 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 -10.464 2.229 5.542 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 8.726 6.160 -10.059 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 -0.352 3.006 0.029 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 -4.387 12.860 -2.776 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 -2.865 -0.130 2.641 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 -7.135 -1.949 2.929 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 -7.006 -1.497 0.528 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 -5.572 -0.447 0.069 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 -5.591 -5.872 -0.411 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 -9.748 2.667 14.916 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 -11.199 -10.361 -5.471 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 -0.123 3.651 0.793 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 -46.988 13.021 11.415 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 -31.235 2.665 15.529 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 -2.050 0.779 2.850 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 -2.351 -8.244 5.661 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 -1.314 3.802 11.490 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 -3.688 7.912 -2.786 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 -1.376 14.743 -3.865 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 -6.662 -3.440 -0.561 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 -2.970 6.403 2.992 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 -13.491 -11.770 18.484 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 -29.987 45.547 -31.459 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 -3.514 0.531 -2.264 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 -10.909 11.109 2.720 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 -12.360 -0.632 -10.180 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 -2.373 -0.024 -3.753 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 -3.885 -7.728 -4.931 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 2.925 6.228 0.215 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 -2.614 4.819 -0.468 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 0.015 -9.311 2.264 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 1.162 1.134 -0.393 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 -7.324 -0.834 8.253 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 -18.525 -0.347 3.247 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 -17.453 -5.965 6.394 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 -0.719 -3.340 -2.225 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 -7.435 -22.421 -6.961 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 9.120 -5.382 -10.629 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 -6.075 3.166 -2.385 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 -7.548 5.309 -10.454 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 -1.080 -10.389 -11.714 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 -3.146 2.749 1.911 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 -17.724 8.313 10.239 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 1.640 3.016 -4.646 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 5.556 1.391 5.010 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 -3.813 15.783 0.750 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 -14.731 -6.334 15.644 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 3.051 0.973 -8.907 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 -3.215 4.884 -7.461 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 -10.754 7.625 9.812 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 -3.208 -4.879 8.910 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 8.656 -6.454 -7.308 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 3.433 -4.223 6.063 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 -1.943 -1.883 -2.174 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 -12.087 -21.385 5.264 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 -12.473 3.331 -20.811 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 2.874 -2.148 -2.523 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 -16.643 9.747 -9.198 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 22.656 -6.747 -16.449 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 4.771 10.446 0.527 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 -3.296 4.277 -15.564 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 5.117 5.203 4.427 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 -2.319 0.048 1.174 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 17.126 -16.753 14.042 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 -5.733 2.031 -18.077 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 5.905 3.237 1.030 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 -9.410 10.107 6.055 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 -9.827 3.349 -4.672 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 7.158 -1.384 -2.572 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 -12.851 15.633 -0.003 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 2.286 6.185 -1.215 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 -5.255 -2.012 2.648 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 -2.177 8.389 4.831 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 7.625 -13.031 4.017 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 -1.738 2.694 -3.401 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 1.133 5.072 0.991 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 -7.152 -5.851 -9.834 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 -0.276 1.461 5.788 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 9.394 -13.556 10.223 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 -16.428 -3.009 8.149 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 7.575 7.192 2.228 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 6.165 -4.396 14.157 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 25.284 -33.622 -2.483 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 2.692 1.443 0.814 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 -9.888 -2.974 8.090 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 0.680 12.197 4.238 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 -1.235 -5.174 3.870 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 4.411 1.872 -11.409 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 6.670 -11.066 0.007 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 -3.423 2.941 1.782 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 -5.562 5.817 -0.069 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 6.008 -8.930 -9.057 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 -9.122 -8.615 -1.857 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 -10.033 -7.993 1.138 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 -6.449 -7.058 -26.401 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 -2.336 3.869 2.848 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 -0.105 -1.995 -0.416 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 -9.699 -20.429 -10.413 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 2.652 -0.057 -2.352 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 4.839 -21.389 13.690 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 -4.651 8.367 -12.855 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 -4.214 3.410 1.486 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 1.834 -6.931 -1.418 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 4.196 5.544 -4.808 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 0.479 -1.682 -1.102 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 -0.898 -4.865 -4.549 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 -0.891 0.082 -1.735 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 2.061 7.169 1.422 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 -1.972 9.657 2.824 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 1.707 8.070 1.711 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 -3.690 1.388 0.919 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 -12.882 -10.337 21.812 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 19.703 -0.337 11.767 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 0.448 5.667 0.663 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 -19.778 18.174 -33.396 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 0.284 -5.045 -11.679 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 -4.102 -0.450 3.661 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 11.752 -8.561 -7.961 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 -5.102 0.332 5.451 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 -0.606 -1.820 -1.345 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 6.949 8.798 0.804 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 0.674 -25.677 -5.374 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 -2.075 -3.732 4.802 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 -4.116 -4.342 -2.769 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 0.574 7.844 -3.719 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 1.609 -4.453 2.187 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 -14.040 13.823 20.040 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 26.991 -4.836 -5.229 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 -1.914 4.301 -3.902 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 -8.588 -9.597 -2.237 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 -6.219 -5.688 -2.583 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 -0.424 -0.083 -5.188 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 4.618 2.942 22.417 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 -13.093 18.090 14.497 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 -0.265 4.616 0.409 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 -2.814 8.652 6.900 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 8.034 -4.069 -12.998 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 -2.662 5.385 -0.486 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 -12.042 25.715 0.428 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 33.275 -32.778 3.644 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 3.919 -2.931 3.227 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 10.177 4.060 19.027 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 13.967 8.567 7.035 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 1.024 -0.041 8.180 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 20.221 -1.234 3.666 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 14.519 -3.059 6.431 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 10.954 0.148 2.765 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 16.509 -6.936 -9.691 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 1.083 3.917 3.032 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 -2.492 -5.807 -3.251 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 -7.246 4.749 6.126 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 -0.646 -22.218 5.236 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 -0.381 -0.051 -1.655 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 -0.269 1.157 -5.169 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 -2.314 -3.080 11.067 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 2.014 -4.690 -2.554 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 -10.936 36.356 45.488 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 11.157 -8.133 2.177 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 2.947 4.962 1.411 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 6.370 16.302 0.103 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 13.307 1.273 5.208 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 -3.078 -2.016 2.804 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 4.570 4.435 15.014 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 -11.411 4.034 2.994 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 -1.474 -1.012 -4.841 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 -5.443 -13.882 -10.313 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 14.162 -7.671 -8.173 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 1.053 -9.595 -0.048 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 12.481 -11.126 -4.388 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 -14.805 -0.323 -11.505 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 -7.615 0.183 2.711 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 8.233 13.961 -1.492 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 -25.625 -6.009 10.081 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 -1.316 4.371 -5.684 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 -8.494 -0.175 -12.073 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 -2.240 -0.345 7.439 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 -1.677 -2.587 -1.599 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 -3.081 17.964 4.473 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 -9.943 -3.619 -21.398 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 -3.337 0.594 1.254 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 -4.521 1.105 -0.874 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 14.230 2.849 3.116 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 1.931 -1.168 5.045 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 6.423 1.368 10.097 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 0.661 6.048 -2.491 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 -5.880 1.752 -0.278 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 -3.313 6.307 -17.551 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 -14.753 -9.919 6.556 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 -1.114 6.286 2.827 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 3.009 4.137 3.750 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 -9.375 14.245 0.834 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 2.501 3.954 -1.762 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 9.674 -3.775 6.906 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 -2.900 -7.054 -4.517 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 -3.289 1.037 3.402 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 0.305 -9.549 3.983 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 -1.811 4.337 -2.566 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 -0.893 -2.613 1.192 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 5.673 -12.323 -4.751 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 -3.274 0.219 6.556 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 1.801 -0.792 -0.901 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 3.592 -1.437 0.135 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 -1.146 -2.729 0.014 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 -1.927 1.250 -3.667 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 -7.020 -2.000 -10.727 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 9.114 18.133 2.501 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 -5.312 2.131 1.185 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 -20.104 -20.104 -7.723 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 -17.511 13.511 4.216 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 4.664 -6.497 -5.405 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 -8.778 -5.140 -9.381 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 -4.773 -16.728 5.564 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 2.599 2.933 -9.065 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 1.540 2.041 -8.838 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 10.014 -0.387 2.112 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 -5.946 -0.976 -0.504 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 0.486 7.331 -3.463 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 -7.529 -1.774 5.062 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 -0.029 -2.101 2.246 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 -0.242 22.255 6.547 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 5.205 0.753 8.961 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 -4.847 1.390 0.017 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 -11.635 1.859 20.367 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 -3.962 -6.177 -8.874 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 -1.932 -3.079 4.193 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 -1.374 -5.833 3.695 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 -3.533 -3.271 5.537 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 3.492 -2.041 -1.437 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 5.395 12.736 -5.269 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 15.161 -13.638 0.597 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 -0.955 0.426 -3.910 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 -2.043 -15.400 7.697 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 8.960 22.275 -13.106 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 1.306 -0.101 -0.611 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 1.598 -8.898 4.376 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 -23.071 0.437 3.484 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 2.879 -3.319 -3.006 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 -13.263 -12.040 -15.447 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 -5.850 11.728 -10.039 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 4.058 2.811 -4.276 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 -0.582 -0.634 -6.338 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 12.322 18.280 2.190 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 -4.836 9.638 0.103 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 -0.330 12.797 16.663 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 7.619 -0.505 2.955 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 2.334 -2.184 1.849 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 21.714 2.737 -3.737 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 -11.761 24.231 -4.425 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 -0.227 0.045 3.726 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 -2.973 2.347 3.104 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 -9.116 -9.402 -6.685 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 4.302 1.375 -4.130 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 16.373 -3.389 6.102 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 -10.921 -15.587 8.054 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 -0.930 3.707 -2.417 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 -12.285 -29.429 -15.154 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 -17.063 -2.991 2.453 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 0.948 -2.339 -5.893 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 16.273 -1.485 -24.987 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 8.668 -10.090 -4.372 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 -5.984 2.237 3.313 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 -9.241 3.435 -10.832 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 -1.605 -0.958 -8.661 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 -2.518 0.006 3.165 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 9.415 0.408 -14.030 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 -4.219 -2.147 6.296 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 2.645 2.227 -0.513 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 -9.116 0.740 12.170 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 -0.440 -3.852 -16.288 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 -5.191 1.068 1.321 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 7.892 -3.364 -2.138 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 -12.836 7.355 2.137 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 -9.027 -0.188 -6.077 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 -17.741 2.293 -20.862 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 4.971 -5.370 16.476 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 3.173 -4.795 4.180 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 3.164 -6.179 5.855 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 5.901 14.200 -1.524 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 -5.061 -2.232 -4.014 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 -9.589 1.288 -19.806 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 0.074 -15.555 -4.232 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 2.592 0.416 -4.066 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 -11.489 7.863 -6.233 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 19.016 -4.083 -7.884 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 -7.824 4.184 -7.953 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 -10.187 4.638 -5.954 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 -11.768 -1.744 -9.675 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 1.308 -5.612 3.034 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 4.141 5.474 0.802 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 0.512 0.367 9.728 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 5.723 -10.980 0.022 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 1.305 -8.275 -3.191 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 6.475 -15.612 12.486 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 4.028 -3.082 -3.038 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 -18.417 29.733 16.102 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 0.337 -5.522 1.112 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 0.032 -0.048 0.086 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 -0.165 7.654 -3.341 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 -1.986 11.142 -6.645 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 8.007 1.422 -0.644 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 -7.665 -5.415 -26.670 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 5.842 -1.748 11.671 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 -0.571 -1.349 -0.068 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 -16.455 -5.934 2.650 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 6.800 -2.922 25.719 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 3.563 -0.232 0.758 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 16.992 14.006 16.244 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 0.843 -9.795 -6.586 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 -1.759 -2.927 -2.585 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 -4.468 -10.157 16.837 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 -0.326 3.581 -4.269 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 1.498 -0.850 -3.516 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 0.242 11.301 11.831 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 1.285 19.040 8.178 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 9.104 0.335 0.510 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 14.552 2.756 -16.500 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 -6.179 20.024 15.486 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 -1.816 3.292 3.783 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 6.702 2.792 -4.514 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 -21.769 -6.598 5.991 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 0.818 2.544 -6.216 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 -12.952 1.401 -22.091 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 -0.558 17.255 -1.225 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 -4.344 -0.379 2.345 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 -0.027 -27.923 10.725 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 -9.872 9.318 -9.396 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 0.869 1.952 2.501 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 -2.198 11.193 1.947 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 -5.935 6.850 6.328 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 -0.441 0.535 2.457 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 8.603 -25.248 -13.530 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 17.965 0.560 27.894 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 9.809 -3.494 0.536 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 8.804 -2.748 6.802 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 6.054 0.947 -6.752 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 7.144 -1.627 -1.156 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 20.678 -6.169 14.810 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 14.941 -1.361 -3.153 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 -4.522 -0.915 -3.268 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 -4.842 -8.437 0.844 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 -9.117 -6.201 -24.527 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 -0.711 0.189 -3.997 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 2.523 2.109 -7.534 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 -10.879 -1.762 -13.378 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 2.830 -8.445 2.024 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 1.712 -10.813 -0.743 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 11.454 -7.575 5.274 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 2.515 -6.658 7.868 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 16.365 -23.954 6.432 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 -24.730 4.726 0.676 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 -4.714 3.188 4.040 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 13.001 -8.808 13.168 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 -9.728 -15.071 -10.955 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 -0.418 -4.765 3.274 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 -1.658 -3.880 0.223 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 2.130 -7.309 2.376 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 -2.532 -2.752 -3.522 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 -20.100 -2.480 19.941 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 14.339 -3.533 8.001 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 -3.233 2.696 -4.170 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 -8.468 -6.175 7.416 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 13.727 2.529 -14.936 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 3.887 2.726 -1.623 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 8.532 -11.415 -7.894 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 14.543 -4.059 16.977 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 1.274 1.837 -1.606 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 -2.863 7.539 21.789 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 7.418 6.515 -5.239 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 2.036 0.416 -0.682 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 -0.060 -6.701 4.563 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 3.914 20.922 -13.998 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 2.910 -8.291 -1.571 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 -12.507 -34.525 0.860 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 -10.860 -12.646 12.840 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 -3.096 3.148 -7.063 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 -6.948 0.578 -12.435 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 24.902 18.088 -4.100 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 1.121 -4.290 3.229 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 7.382 -3.788 -0.451 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 -10.433 -7.076 10.705 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 0.928 4.061 -5.291 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 13.360 7.641 -21.148 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 -12.492 -29.841 5.947 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 4.357 -3.043 7.229 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 -3.882 -13.045 -1.699 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 1.193 -7.256 7.200 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 5.594 3.253 2.376 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 10.406 -0.720 -1.940 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 -8.599 25.057 13.988 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 4.144 6.012 -0.536 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 3.840 -7.130 -1.874 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 8.647 0.427 -1.020 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -0.916 -1.822 1.331 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 6.449 5.509 -28.425 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 3.038 2.614 4.570 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 4.701 4.496 -2.324 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 -18.763 11.694 -2.942 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 2.474 0.247 0.293 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 2.242 9.280 -4.035 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 13.927 -8.759 23.026 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 5.665 -15.151 12.017 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 5.052 5.989 -2.219 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 4.437 -7.535 5.141 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 -6.982 9.699 30.914 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 -3.139 3.871 -1.128 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 -11.704 -8.845 -23.797 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 -14.737 7.532 30.627 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 -3.354 -3.747 4.391 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 -12.108 4.571 5.985 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 2.936 10.628 21.520 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 -5.083 -2.696 -2.613 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 27.116 -15.701 -5.139 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 6.871 12.349 22.819 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 2.357 -5.010 0.095 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 -2.955 -14.459 14.029 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 2.872 -4.423 -1.885 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 1.113 3.052 0.120 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 -2.066 -0.281 -9.010 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 -7.845 5.852 17.512 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 2.498 4.119 -1.973 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 -7.043 -16.762 -10.113 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 -9.864 -18.469 -12.594 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 -3.503 -6.126 -1.014 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 -5.054 33.010 -6.070 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 -6.163 16.308 -4.287 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 -0.384 -6.434 -5.274 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 -0.935 -3.706 -1.059 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 -0.413 -5.543 -4.122 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 -4.177 5.410 -2.474 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 -8.387 8.588 -12.638 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 -1.162 5.221 2.414 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 -0.895 1.771 -3.713 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 0.865 -8.136 8.550 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 -11.842 18.632 1.704 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 -2.780 -0.289 -4.079 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 -17.616 21.527 -10.311 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 8.498 -2.449 25.653 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 -0.084 -0.385 5.142 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 -34.312 9.915 -12.501 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 5.195 1.210 4.537 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 5.597 -3.129 4.254 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 -12.124 -3.279 4.870 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 19.031 24.957 -13.737 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 -1.271 -1.279 -3.735 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 -5.031 6.712 -12.455 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 7.806 2.749 9.260 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 4.367 -0.732 2.249 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 -3.845 9.693 8.699 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 11.424 5.386 -0.978 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 -4.751 -4.029 -2.128 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 -9.571 12.979 -25.983 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 1.331 17.516 15.752 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 -2.330 -9.104 -0.804 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 5.229 -2.164 -0.950 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 -6.367 -14.517 -1.946 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 -0.180 -3.884 2.951 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 11.272 7.720 4.866 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 3.481 -9.943 -50.261 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 -1.651 2.295 1.951 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 14.323 1.593 5.460 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 -1.498 13.207 -4.656 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 2.534 -4.374 -10.652 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 2.340 -3.990 -4.967 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 -8.556 0.916 -9.560 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 -8.303 1.497 -1.036 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 9.401 5.524 5.545 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 -12.308 13.162 2.491 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 -4.066 10.488 -3.093 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 2.841 -3.827 -11.162 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 6.713 -26.703 17.911 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 1.671 -0.835 -1.790 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 -10.606 9.833 -0.530 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 14.123 4.560 7.679 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 -4.229 0.844 1.676 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 14.506 -17.711 -25.386 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 -2.278 7.541 -16.734 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 5.784 8.260 0.372 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 -0.850 16.217 16.572 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 13.119 10.222 2.605 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 -3.393 -0.180 -1.284 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 1.724 5.335 2.515 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 2.167 -5.984 -2.235 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 -2.780 6.945 -1.731 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 -17.588 2.424 4.109 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 0.980 -24.329 -8.683 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 1.535 -7.366 -3.812 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 -6.509 -22.247 12.880 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 13.388 11.221 -29.704 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 1.065 -4.181 0.908 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 4.807 -18.462 6.623 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 2.371 -8.106 19.176 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 -2.808 -0.578 3.175 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 -10.145 -20.662 -1.694 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 4.251 2.971 9.833 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 -3.685 4.194 -2.608 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 -1.854 -13.614 1.629 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 -15.058 11.182 5.934 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 -0.719 -4.144 -5.581 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 -7.415 15.505 -11.129 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 -2.649 -9.904 -1.636 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 3.309 2.498 3.054 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 -0.365 11.382 20.235 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 -5.551 -17.492 -16.708 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 3.151 2.010 -0.789 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 0.101 19.339 5.691 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 5.902 -6.158 11.788 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 -0.173 -2.835 1.146 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 10.472 -5.434 13.108 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 -6.605 -12.995 2.453 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 1.327 1.583 -9.160 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 1.675 -19.949 0.156 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 1.189 -0.675 -8.754 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 -4.487 1.259 6.972 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 6.435 7.283 -14.877 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 7.366 -2.412 -11.580 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 2.075 -2.157 -8.622 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 10.355 4.513 2.998 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 -7.992 9.386 -15.677 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 0.876 -6.626 2.365 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 -11.415 4.159 -13.713 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 -2.440 12.200 -3.818 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 -0.837 0.935 -5.160 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 12.711 0.940 18.113 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 -9.762 21.426 -31.024 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 4.613 1.508 -4.204 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 3.394 0.451 -7.863 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 -0.722 -0.356 -16.626 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 2.425 4.181 7.471 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 1.374 8.450 17.289 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 2.506 3.800 7.596 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 -1.476 1.511 1.189 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 -7.845 3.061 5.814 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 28.592 -12.719 0.937 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 -0.117 0.301 2.151 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 26.481 32.781 2.843 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 11.286 14.007 6.271 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 -2.152 -0.807 -0.158 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 12.111 3.181 -13.233 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 -19.548 20.108 1.416 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 4.656 -2.574 0.892 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 2.435 -4.189 -10.414 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 -17.584 -0.562 -3.339 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 0.104 -8.678 -1.777 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 -3.369 15.757 6.343 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 1.481 -27.565 -13.113 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 -5.519 -0.201 0.614 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 -13.726 -7.723 -9.038 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 11.872 -23.412 -16.890 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 3.538 3.711 -1.710 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 -0.264 7.366 -11.659 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 -23.874 -9.147 -0.205 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 4.858 3.061 -1.441 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 3.254 2.255 -0.406 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 -1.987 -0.177 15.038 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 -1.104 1.672 -2.554 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 -11.902 1.873 -13.473 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 -5.664 4.270 4.221 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 3.788 3.181 -2.987 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 -7.788 -0.790 0.771 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 -31.156 23.080 0.838 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 4.370 -5.882 7.194 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 -29.628 -7.815 -0.085 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 6.897 12.147 5.473 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 2.265 5.117 -4.278 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 -20.848 15.319 -11.429 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 -9.672 -6.175 -18.133 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 3.265 -0.879 1.379 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 10.328 19.961 2.491 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 4.639 19.366 14.636 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 1.969 5.374 -1.471 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 7.913 1.294 5.052 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 7.318 5.143 -0.623 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 -1.997 3.459 3.396 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 -1.123 3.211 0.825 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 8.020 10.452 4.608 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 5.533 4.215 1.896 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 -0.361 3.624 -1.316 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 -1.121 -7.847 19.861 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 1.688 -3.521 -0.612 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 -0.244 4.643 -6.833 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 -11.629 5.224 -4.048 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 -0.727 8.412 5.318 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 -6.636 15.807 -5.971 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 1.401 -12.484 0.424 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 -2.835 0.073 -6.554 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 -1.414 -2.685 3.582 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 -5.362 -6.272 2.603 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 0.768 6.684 -2.848 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 -4.312 -1.729 -0.510 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 0.479 6.468 -3.616 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 -0.551 2.009 6.905 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 9.588 -12.350 8.988 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 6.106 -13.475 12.682 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 -3.652 0.440 0.850 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 0.508 -8.558 -1.331 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 2.247 -12.884 13.035 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 0.203 1.931 1.578 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 -10.420 10.722 29.596 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 9.154 -3.062 -24.589 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 6.124 -8.210 -1.689 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 -5.136 8.345 7.715 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 -4.301 -10.470 -25.772 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 1.752 4.207 3.688 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 -18.448 7.509 -6.130 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 9.239 -16.289 -3.826 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 -3.389 4.107 -0.643 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 2.865 6.418 -8.057 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 7.884 3.329 22.252 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 -6.321 -8.593 3.476 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 -2.650 -7.015 -12.198 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 -9.984 -29.130 7.427 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 4.310 1.503 -0.289 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 2.970 -1.894 5.813 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 8.522 -3.299 -3.697 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 1.654 10.153 -6.997 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 5.666 5.288 -4.740 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 -2.637 14.523 -20.104 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 -3.769 1.137 -2.651 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 0.381 -1.845 -14.898 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 21.065 -16.911 0.265 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 2.264 -2.757 -2.674 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 -4.888 3.829 -4.295 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 13.170 -9.813 4.913 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 -6.168 2.543 -1.489 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 -3.045 3.014 -0.881 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 -16.312 -11.167 -12.114 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 -6.507 4.287 2.612 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 3.441 0.549 -12.462 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 9.157 3.069 18.036 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 4.639 5.643 5.990 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 -1.038 16.238 -4.230 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 9.077 -3.988 1.216 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 -0.264 1.979 -0.149 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 23.493 -7.505 -8.676 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 -30.421 -1.191 14.187 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 -2.591 -6.184 4.106 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 -7.469 4.628 3.590 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 -5.349 52.723 -6.820 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 4.035 5.126 2.913 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 -11.352 2.273 7.994 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 -18.187 -4.757 -2.884 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 -3.323 1.832 -2.507 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 7.279 1.302 0.325 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 -4.676 13.977 -4.787 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 -0.552 1.047 2.723 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 4.158 7.906 -10.506 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 -5.668 26.644 -2.861 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 5.034 5.175 -5.417 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 -0.784 -11.446 7.875 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 15.052 -0.509 20.137 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 -1.978 -2.169 0.996 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 0.495 -3.076 1.573 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 -10.967 -8.039 -7.387 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 -3.004 -1.624 0.789 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 0.521 7.255 -1.240 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 -4.645 -6.266 1.291 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 5.881 -1.439 2.546 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 16.565 -12.822 -3.433 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 -2.283 7.464 -13.937 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 -3.991 2.161 -6.467 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 -6.996 -19.255 3.013 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 -17.306 -2.440 -8.524 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 -5.293 0.136 -0.798 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 1.827 -1.788 -8.282 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 -9.069 -8.123 -1.443 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 2.201 -1.054 0.604 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 0.808 -12.849 2.637 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 8.602 -14.873 6.309 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 -4.230 0.436 2.123 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 -6.232 -3.313 -10.844 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 0.968 2.905 14.274 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 4.811 2.579 -0.212 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 -25.844 13.925 6.929 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 -1.259 -14.805 3.144 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 -1.855 -5.431 2.047 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 -23.794 -12.259 1.750 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 3.407 -10.908 -11.328 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 4.427 -0.323 1.051 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 10.009 -3.476 5.225 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 2.115 -4.030 -0.333 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 -5.253 -4.411 -0.748 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 0.688 -1.243 -13.201 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 -8.726 -19.059 3.722 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 4.686 -3.826 -1.736 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 -1.508 -1.923 0.775 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 -38.918 -4.806 -7.014 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 0.667 2.692 -4.810 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 -17.710 6.578 0.760 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 -18.721 30.356 15.448 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 1.799 6.434 1.941 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 -6.023 -3.067 9.602 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 -0.798 3.058 -5.493 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 0.014 3.355 -0.480 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 6.526 -6.378 7.540 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 0.185 2.924 0.717 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 4.295 6.752 1.252 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 0.722 10.472 -8.480 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 4.502 15.728 8.665 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 -1.924 0.922 -2.170 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 4.048 -2.562 14.534 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 -5.510 -0.783 -10.036 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 3.426 -8.302 -4.932 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 -6.894 12.945 -23.845 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 -20.172 21.306 33.414 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 -2.906 -3.480 1.396 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 -0.389 22.681 20.670 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 -2.269 6.333 7.982 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 1.980 2.382 -3.513 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 19.614 20.464 3.136 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 -17.404 10.296 12.332 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 2.909 -3.990 0.981 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 12.764 -1.632 -1.207 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 23.258 -5.505 -7.570 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 -5.776 -4.291 -1.189 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 -12.697 8.638 9.725 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 -13.625 -4.569 -10.843 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 -7.939 1.073 -5.462 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 1.901 -5.176 0.036 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 0.255 -2.491 -0.196 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 2.819 -5.644 -1.387 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 -3.532 -2.707 -15.940 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 8.045 10.879 -5.114 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 3.246 -0.558 -0.660 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 -0.315 -1.042 -2.980 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 2.092 -1.479 -1.421 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 7.403 -1.734 -7.699 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 10.972 -2.538 -9.011 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 -2.207 5.076 -6.688 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 2.345 -0.395 -7.853 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 7.716 -12.625 -8.114 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 -3.427 2.120 1.664 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 2.051 2.445 2.830 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 -1.431 -1.148 -0.152 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 -11.715 -16.973 -1.614 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 -1.253 -3.103 -4.688 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 15.586 -13.430 -6.533 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 -15.444 -22.563 -18.767 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 -1.082 0.082 5.443 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 -15.241 -1.663 -7.108 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 11.584 -5.094 8.944 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 -1.290 1.811 1.299 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 -15.150 5.398 -3.912 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 9.244 -37.842 -12.127 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 -1.756 5.666 2.200 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 1.495 4.147 -0.292 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 -15.840 12.412 16.844 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 -3.172 -3.155 -0.969 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 -17.772 9.007 11.518 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 9.059 -11.450 -5.102 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 -3.968 6.322 -2.329 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 3.455 -1.931 6.211 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 0.912 4.280 -12.247 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 -4.236 -2.737 2.392 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 -14.855 -0.974 10.202 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 -4.743 -10.028 8.508 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 1.438 4.047 -1.703 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 -11.341 7.442 18.480 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 14.740 -10.897 -29.207 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 -2.277 4.146 -0.020 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 -22.086 10.501 -11.273 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 -2.320 5.819 22.351 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 0.517 -2.250 -4.089 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 -4.212 -0.717 -0.131 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 2.223 -2.096 -5.822 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 -6.826 -3.541 -1.308 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 -11.166 6.914 8.103 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 -10.903 -0.058 4.376 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 -1.642 -2.893 -7.788 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 3.375 -17.738 5.915 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 10.894 3.251 6.088 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 -5.841 -6.559 4.659 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 -21.327 -1.229 -5.573 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 2.621 6.580 -3.264 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 3.702 -5.135 -2.208 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 -4.556 -5.598 7.026 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 -4.616 -1.588 9.520 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 -1.316 -2.906 0.149 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 0.159 -7.708 1.764 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 -5.586 -2.873 -3.740 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 3.627 -0.663 3.171 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 -3.280 -1.033 -10.758 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 -2.335 12.824 -0.268 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 -4.618 -1.533 3.617 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 22.460 -11.031 1.308 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 -3.571 -6.818 18.124 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 -1.487 -0.916 -5.087 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 25.476 -4.151 -0.086 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 -1.325 15.613 -25.551 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 2.996 -1.224 1.216 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 2.612 -6.921 0.897 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 -3.746 -13.221 5.158 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 -0.901 1.411 -4.267 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 -2.128 -1.196 -4.017 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 12.804 -3.112 -12.441 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 1.547 -3.041 0.993 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 -8.477 4.119 7.840 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 44.200 2.509 -20.296 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 -2.083 -1.905 3.216 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 7.003 -1.245 0.176 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 6.165 13.328 4.281 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 8.003 -4.627 3.371 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 -0.307 -12.218 8.896 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 19.526 -2.555 -9.664 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 -4.859 10.119 -3.271 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 -0.297 10.226 -43.876 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 -0.681 5.448 2.863 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 1.785 4.143 2.464 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 -22.833 12.451 -11.244 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 9.602 -11.949 0.666 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 1.417 4.178 -6.640 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 22.599 -15.633 -16.923 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 -1.683 7.551 -3.945 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 -0.746 -5.157 4.658 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 17.900 -17.444 -5.065 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 0.032 14.835 -6.642 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 2.627 2.360 -0.217 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 15.473 10.065 -0.082 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 8.898 15.038 13.806 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 -7.995 3.261 -0.620 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 -20.023 6.117 7.088 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 -9.907 12.916 3.688 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 4.107 3.514 3.046 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 22.435 3.916 -5.638 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 8.358 -12.832 -12.171 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 0.307 3.901 1.054 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 7.399 -22.140 12.435 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 -9.163 12.236 12.038 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 -0.571 2.029 -6.916 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 1.142 3.730 -8.379 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 -13.203 3.986 -6.436 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 -1.799 -1.773 -4.738 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 -10.698 -12.374 -2.453 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 5.975 4.224 2.889 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 -3.803 -2.727 -4.796 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 16.352 -1.665 5.998 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 8.980 -5.490 20.540 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 0.769 1.218 0.134 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 2.889 3.110 -5.257 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 2.491 -4.947 -1.868 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 4.758 -4.510 5.128 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 7.856 0.771 1.529 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 -9.364 10.700 -24.332 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 -5.492 2.361 -0.574 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 -2.544 -1.683 -7.215 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 -4.559 7.771 -13.923 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 7.004 5.243 -0.093 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 7.506 15.579 -5.792 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 24.149 -16.119 18.593 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 3.410 -5.229 1.884 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 11.148 3.215 5.057 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 8.903 1.303 10.852 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 -5.065 -1.363 0.812 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 9.442 -0.326 -3.351 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 -20.512 15.024 6.374 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 2.017 2.163 -2.237 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 3.430 20.776 8.455 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 3.261 1.325 -14.601 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 -0.825 2.810 -0.740 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 -0.781 4.665 0.183 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 -7.854 3.470 2.806 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 4.469 -0.150 -2.216 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 -16.629 -25.363 6.507 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 -17.278 17.856 5.144 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 -3.268 3.853 -0.642 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 7.534 7.221 0.223 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 -10.966 4.252 -5.616 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 3.898 -2.054 -3.615 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 -22.962 -6.541 3.098 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 14.040 -28.641 -6.211 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 3.668 -5.831 -2.684 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 -11.712 16.904 0.174 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 1.123 6.960 -3.846 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 -3.660 -5.410 -2.936 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 -4.839 -7.411 -3.972 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 -11.523 -10.148 -1.582 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 2.675 2.627 2.777 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 1.923 7.300 9.530 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 8.728 -9.440 -14.938 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 3.808 6.817 1.735 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 -14.951 -3.138 1.997 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 -7.998 17.268 14.554 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 5.842 0.157 2.869 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 2.865 7.349 24.549 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 26.954 6.015 10.837 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 -0.392 -1.850 2.116 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 23.463 -0.220 -18.389 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 6.501 -3.688 10.712 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 -3.684 -5.333 0.917 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 -3.911 -4.196 8.478 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 17.521 -33.876 3.308 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 1.135 4.626 -1.374 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 1.145 2.892 -1.200 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 1.453 5.501 1.030 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 -2.094 -0.687 0.277 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 -13.735 -13.763 -4.328 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 1.755 -9.131 -6.089 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 4.091 -0.955 0.802 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 14.846 -7.461 -14.960 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 10.509 3.706 15.197 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 7.201 1.430 4.517 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 7.723 0.481 0.208 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 11.824 3.236 4.457 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 -0.777 -1.094 -8.519 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 4.527 -28.753 9.468 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 -3.007 13.596 -18.224 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 -3.385 -1.762 -6.469 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 -17.309 -10.889 0.975 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 -0.386 -8.203 -10.309 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 0.396 -3.070 2.342 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 8.450 5.589 -4.113 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 2.395 -15.166 -4.587 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 2.655 0.162 -0.775 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 -10.416 0.902 -4.008 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 4.303 -12.922 -0.129 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 4.178 1.797 2.949 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 -3.815 -3.533 4.254 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 2.320 2.544 14.529 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 6.940 6.477 -4.788 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 -18.209 -1.800 1.305 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 -8.550 1.420 -1.688 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 1.341 -1.118 4.091 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 -11.479 -17.576 8.599 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 22.561 -13.246 -6.526 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 8.643 -4.641 -4.363 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 -2.209 22.616 -3.472 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 -2.733 -5.655 9.140 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 0.641 6.849 2.755 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 4.060 -5.942 4.367 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 9.839 31.751 -0.620 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 -2.914 0.311 6.549 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 -4.920 -8.947 2.693 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 -10.834 6.358 5.579 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 3.149 -5.428 0.856 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 4.166 -3.958 1.098 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 16.770 -0.815 20.210 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 -2.261 -1.882 -4.057 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 -23.165 12.591 -4.982 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 -17.392 2.131 7.581 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 -0.509 2.135 -9.227 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 -7.161 3.285 -6.946 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 16.714 -25.691 -5.810 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 3.287 -1.396 0.449 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 11.214 -36.779 14.798 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 -1.780 11.658 -4.912 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 -1.765 -4.002 0.760 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 -6.035 -9.367 18.334 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 -11.854 0.430 21.163 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 -1.374 -2.122 -7.909 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 -5.886 -18.518 -14.623 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 -2.864 -1.116 -7.108 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 -1.789 -4.106 -3.425 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 -6.015 -6.847 -5.927 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 -16.887 4.038 -3.384 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 -2.504 -1.266 5.876 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 -19.197 8.340 6.249 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 -8.808 0.086 8.099 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 -3.316 -1.247 -0.231 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 11.411 11.608 9.362 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 -15.628 4.770 8.297 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 -5.381 -6.186 -7.494 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 1.578 -15.139 6.915 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 -2.553 -22.983 10.827 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 -4.184 0.019 6.306 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 7.432 7.419 9.836 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 -11.520 -11.699 10.651 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 -3.139 3.441 -0.933 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 -24.265 0.036 4.275 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 17.599 6.735 -7.097 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 4.420 -4.561 1.790 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 -8.759 -16.319 -5.439 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 -19.019 -21.704 -8.088 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 -7.125 1.443 -0.104 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 -14.121 5.123 -6.355 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 8.297 -17.149 31.810 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 -0.531 6.291 0.144 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 -12.192 -8.763 -15.491 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 3.895 10.187 7.549 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 -0.833 -5.709 -5.590 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 14.468 -2.642 -10.133 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 -8.626 -11.463 -10.814 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 2.410 0.876 -6.200 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 37.003 14.829 -25.847 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 -3.444 -1.886 -28.752 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 0.293 -0.887 1.851 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 -9.347 -28.730 -1.068 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 -3.885 -22.397 5.985 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 7.131 1.194 2.451 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 6.964 18.331 11.246 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 18.784 20.849 -5.008 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 0.117 -3.627 -1.262 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 1.190 -5.867 1.095 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 -8.077 -0.012 -7.368 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 -1.994 -10.183 -3.721 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 -3.888 -0.035 -3.480 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 -6.647 0.596 -9.286 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 2.282 3.952 -1.919 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 9.873 6.465 14.307 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 7.567 -3.744 -16.887 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 2.283 -2.148 0.186 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 1.822 -1.169 1.648 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 4.415 -0.860 -3.416 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 -0.009 0.126 -1.376 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 -0.617 9.771 11.105 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 -3.645 -1.784 -19.490 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 -1.835 -4.155 2.562 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 3.632 1.549 -5.143 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 -29.666 -5.288 -4.554 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 4.109 4.767 -0.490 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 33.049 18.300 -3.005 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 2.499 20.586 25.111 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 -1.357 -0.325 1.319 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 -4.950 -7.900 6.334 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 -2.013 -16.452 -7.919 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 -6.447 -3.650 -0.331 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 -6.416 -4.603 4.043 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 -2.823 -5.796 -1.140 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 3.186 2.492 -4.672 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 6.269 -13.028 -7.337 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 0.823 12.067 -3.132 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 -0.120 5.531 -5.879 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 16.257 -8.273 2.064 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 -3.951 22.609 4.208 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 3.564 0.328 -4.918 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 19.649 -14.038 2.946 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 3.712 -3.651 -2.172 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 -4.180 2.786 1.185 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 10.044 3.989 -9.112 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 -6.561 -9.267 -9.961 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 -1.595 -1.317 -4.580 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 -1.238 -5.159 2.206 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 4.937 5.290 -4.137 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 -0.367 0.804 -1.700 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 2.682 -0.526 3.577 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 9.018 -9.188 1.014 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 -4.408 -3.839 5.152 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 -24.214 -23.903 -20.863 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 11.725 -10.916 -4.046 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 -0.413 -5.707 6.168 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 13.667 -14.663 10.746 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 -13.021 4.642 6.258 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 0.482 2.143 11.817 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 22.969 3.607 4.161 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 2.502 -8.354 7.632 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 -0.798 3.231 2.864 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 -0.530 -14.494 9.122 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 -0.124 8.976 4.150 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 5.989 3.551 0.946 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 4.767 6.989 -4.106 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 -2.332 -4.057 -7.576 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 -1.875 5.468 3.418 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 0.731 -5.378 5.749 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 -4.919 11.295 7.276 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 -8.393 -4.865 -3.691 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 -2.299 -7.332 13.726 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 3.694 3.264 -3.870 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 5.408 2.890 4.919 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 5.353 5.604 -6.225 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 -7.641 6.703 3.748 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 -2.511 -2.631 -5.956 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 -2.585 -13.193 -10.136 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 -3.877 5.769 -4.503 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 0.955 -4.851 -2.449 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 23.552 -18.722 -8.535 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 12.125 24.527 -8.890 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 -3.278 4.482 3.651 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 -16.278 -1.888 3.131 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 -3.325 5.348 4.802 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 2.457 -2.496 0.454 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 -16.798 -4.847 -1.775 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 3.503 -16.749 4.529 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 4.167 5.467 2.992 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 -4.074 9.852 1.470 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 5.705 -13.319 9.156 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 0.036 -2.201 -0.066 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 17.916 -3.087 18.643 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 -10.541 -1.622 -11.129 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 0.439 -1.359 -3.175 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 1.292 -6.738 16.207 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 3.428 -12.247 -29.471 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 -3.651 -6.537 5.522 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 14.014 -9.320 7.160 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 -5.448 -15.971 -10.982 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 -6.398 -3.698 6.692 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 10.694 1.761 2.036 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 -1.084 -3.225 2.164 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 0.065 0.429 -0.070 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 5.347 8.302 -17.477 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 0.655 6.034 18.942 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 -3.272 -0.983 -2.169 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 1.457 -0.393 4.907 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 3.576 -1.997 -24.447 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 1.583 3.504 1.664 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 31.923 6.611 -16.934 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 -6.513 -29.074 -1.405 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 5.262 4.252 -1.553 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 1.583 3.323 -0.895 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 10.830 -7.616 -1.557 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 -0.280 -3.522 7.535 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 -7.620 3.938 2.813 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 -8.261 -6.653 7.444 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 1.986 0.703 4.168 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 -18.889 -25.004 3.131 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 11.788 -12.571 -10.465 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 -4.571 -7.511 2.790 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 -0.630 9.087 9.899 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 -1.299 3.579 9.876 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 3.311 -3.713 -0.043 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 13.283 5.324 6.903 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 -18.134 1.792 -8.548 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 -7.891 -1.853 1.818 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 -9.383 -12.983 -2.778 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 -1.281 -19.104 30.228 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 -1.372 -4.938 1.201 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 -2.846 -8.132 2.713 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 -4.183 6.649 -7.881 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 3.058 -12.780 -0.481 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 5.211 -3.165 -8.321 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 12.989 8.520 -18.374 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 -5.544 -6.780 6.142 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 12.025 2.820 -14.103 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 -20.698 12.930 11.694 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 3.385 -2.560 -0.411 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 -5.859 -16.705 14.527 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 -14.374 20.236 -9.665 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 2.533 -7.229 2.840 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 11.543 2.002 -5.739 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 4.475 -4.947 0.678 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 1.714 5.314 -5.558 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 19.796 -9.053 8.860 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 1.402 1.310 -9.095 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 2.848 -1.990 -1.905 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 12.746 -1.913 3.431 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 0.875 3.899 -7.999 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 0.396 -5.855 8.142 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 2.141 -8.075 15.137 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 -23.250 -16.146 -7.116 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 0.019 -1.676 2.274 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 3.541 -6.077 -11.409 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 2.403 -0.209 -19.855 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 -6.146 -0.651 0.237 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 -16.454 -8.643 -10.485 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 5.875 6.827 7.880 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 2.166 -3.174 3.850 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 -6.571 -8.689 7.058 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 -33.737 36.068 9.031 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 -2.250 9.675 3.222 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 -8.314 0.083 -0.650 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 5.062 11.957 -8.870 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 0.453 1.063 1.720 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 6.310 -5.296 -3.883 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 9.484 -15.265 -6.242 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 -2.695 8.642 2.765 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 -3.929 11.960 -0.935 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 -2.853 10.834 -4.156 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 1.161 -2.562 -1.031 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 4.364 5.769 -8.186 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 5.619 -20.347 13.551 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 5.458 1.659 -3.720 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 0.304 12.916 -10.138 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 -14.791 14.079 -0.460 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 4.945 0.293 3.209 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 13.700 2.740 0.006 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 -23.935 -4.073 18.518 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 -0.896 0.728 -5.031 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 -10.721 1.674 14.898 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 6.000 2.497 -9.835 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 -6.421 2.178 3.648 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 -3.805 -9.407 8.831 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 -9.895 6.562 -5.020 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 1.668 0.106 2.552 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 -6.337 -18.610 15.661 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 -30.716 2.733 7.612 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 -0.925 -0.443 3.193 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 -14.326 -25.256 5.780 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 -8.899 -15.198 4.539 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 0.405 4.152 6.052 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 -11.604 -5.013 2.885 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 10.480 -22.856 7.960 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 -1.774 2.724 -0.979 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 2.438 11.936 -1.501 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 3.002 10.245 -1.190 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 -1.147 -0.005 -3.215 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 13.136 -17.811 -9.663 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 -3.602 2.470 10.763 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 0.816 3.886 -3.097 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 -2.385 -2.018 -14.951 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 14.364 14.378 0.484 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 0.486 1.729 0.469 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 11.728 -10.614 1.298 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 -12.537 -2.004 -16.831 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 -0.511 -0.825 1.122 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 9.548 24.826 39.012 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 -23.537 -31.398 17.169 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 -0.199 -3.426 6.038 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 1.858 3.962 17.672 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 -18.381 8.624 1.379 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 -3.940 -2.870 0.812 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 -14.769 -17.433 -17.718 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 16.419 -4.337 -10.436 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 1.542 -3.027 -2.159 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 -10.299 3.573 27.923 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 9.220 0.513 -20.224 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 -0.088 0.060 -3.772 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 0.638 -4.864 -7.898 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 -13.156 33.700 15.996 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 -6.175 -2.909 -1.840 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 -5.568 -25.754 -4.286 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 -6.768 6.788 -1.848 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 -7.562 -0.185 2.333 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 -7.145 -0.961 -2.742 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 -6.568 -2.390 3.001 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 -3.041 -1.863 0.404 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 15.730 8.822 3.078 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 -14.516 18.471 0.530 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 5.111 1.416 1.652 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 6.183 1.541 -2.240 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 13.146 -6.439 0.410 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 -0.543 2.970 1.247 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 4.500 2.081 -8.039 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 -2.745 2.997 6.145 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 5.529 -1.203 4.834 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 0.969 4.978 5.003 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 -6.661 -20.915 25.731 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 -4.327 0.981 -5.922 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 -8.090 -6.908 -8.601 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 6.891 21.168 -1.708 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 -9.667 2.277 -6.904 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 -10.253 -2.415 -5.555 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 -13.484 5.718 -5.709 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 -4.458 3.492 -2.127 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 -2.116 16.841 -4.290 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 -1.295 -0.296 -15.445 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 4.881 -3.050 0.528 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 -15.288 -22.583 -3.332 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 -2.336 2.486 23.264 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 4.026 -2.442 -4.368 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 21.267 -7.373 9.711 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 -4.102 -0.517 -11.924 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 -3.321 -2.914 -0.737 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 3.594 -21.775 2.732 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 4.981 -0.829 -26.316 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 -2.801 3.112 -3.783 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 10.598 3.312 -1.689 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 -3.646 -11.611 -4.517 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 6.402 2.699 8.383 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 -6.440 -15.668 8.764 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 2.582 -2.051 15.246 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 -6.462 0.203 0.797 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 1.472 -22.451 4.765 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 -14.058 -3.449 -11.195 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 -1.714 2.591 2.309 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 -4.317 -9.669 -3.023 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 6.136 11.876 -8.036 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 -0.844 -3.402 -1.413 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 -2.542 -8.711 -18.197 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 1.736 3.988 20.972 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 -0.596 6.733 4.284 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 -6.736 -7.708 3.024 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 -0.686 -8.091 -2.045 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 -7.529 -3.131 -2.262 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 1.403 -0.532 -7.081 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 -10.753 -3.891 -0.193 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 -7.705 -4.469 0.934 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 -3.491 -7.656 6.274 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 -10.809 -18.273 -15.689 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 -0.936 2.485 3.603 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 15.270 0.076 -4.892 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 -2.433 10.209 -0.933 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 -1.542 2.159 1.764 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 -19.629 15.341 3.988 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 18.280 -16.313 4.708 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 5.790 -2.223 -5.015 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 -0.454 23.834 -1.035 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 -11.086 -4.672 13.163 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 -1.214 5.301 -6.829 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 -3.957 4.474 -2.855 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 5.660 3.182 -5.170 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 1.346 4.773 -4.697 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 5.335 9.917 10.126 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 -15.136 5.894 -6.004 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 5.336 -8.164 0.509 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 -3.136 -9.654 7.389 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 10.937 -1.822 -9.337 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 -1.392 1.249 -3.926 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 -4.092 47.165 -37.264 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 7.904 4.701 10.060 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 -5.894 -0.603 1.257 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 6.195 -5.561 19.899 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 13.811 32.262 22.885 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 -1.979 1.799 3.881 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 24.086 -20.762 16.660 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 -27.800 34.932 -4.725 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 -6.178 0.514 0.801 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 -21.272 -4.347 -19.361 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 4.877 -28.720 -39.111 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 -3.877 0.319 3.803 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 -15.551 -22.327 9.328 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 0.784 7.226 8.448 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 -3.236 -3.578 -1.088 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 4.715 10.658 5.637 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 5.516 16.568 9.518 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 2.342 -2.295 4.571 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 2.416 7.468 3.945 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 -10.179 -19.733 -1.731 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 -3.343 -7.753 7.111 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 -4.869 -18.144 6.721 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 -8.161 -25.704 3.288 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 6.494 2.535 1.519 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 17.517 6.618 -14.635 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 1.536 13.601 5.975 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 -5.826 5.330 -5.806 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 17.062 6.791 -7.444 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 -13.129 -8.746 -20.532 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 2.304 -2.250 -1.797 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 -13.728 21.009 -13.703 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 -12.564 7.198 -3.903 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 0.771 -1.819 -1.639 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 12.117 -27.666 19.636 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 -7.100 14.429 1.876 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 1.057 -1.854 9.805 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 -28.532 -7.299 7.230 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 37.253 -2.452 12.741 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 -3.435 0.616 -0.953 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 6.786 31.453 7.738 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 -17.487 14.524 -6.183 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 -4.440 2.805 3.997 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 6.038 -3.770 15.825 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 -1.665 -15.176 -5.524 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 -1.433 -2.099 0.315 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 21.962 -15.273 -18.649 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 -2.650 -0.842 17.336 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 0.457 3.103 -1.822 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 -13.305 -24.089 8.535 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 -2.956 9.151 -24.930 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 4.567 -2.962 -6.894 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 7.576 -2.747 -14.111 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 1.422 4.187 -7.392 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 2.448 -1.605 3.605 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 -14.006 3.285 -13.081 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 2.815 10.443 20.982 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 -5.526 -1.293 4.378 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 -14.059 -9.674 2.371 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 21.608 23.039 3.716 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 -5.796 5.895 1.681 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 -1.951 16.067 14.342 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 12.325 5.390 -11.885 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 0.296 -0.930 3.047 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 -8.446 -5.519 31.046 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 -4.535 -4.074 18.020 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 1.037 2.356 -1.914 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 -18.217 -0.487 -8.958 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 3.361 -17.332 -5.939 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 3.335 -5.478 -9.094 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 2.067 -10.273 -2.913 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 -12.422 -27.582 7.937 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 -1.009 6.751 -2.556 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 2.973 9.335 3.246 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 -14.043 0.254 -21.608 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 4.168 -0.106 -3.009 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 -0.104 -5.795 -11.431 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 -3.366 -10.591 -20.617 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 0.702 2.032 0.207 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 14.080 -3.944 -14.521 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 2.145 -19.454 26.140 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 -1.946 1.462 -1.136 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 -34.803 22.869 1.073 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 -7.076 18.111 1.075 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 6.470 -0.937 -6.429 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 12.986 -27.340 -14.729 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 27.671 -18.750 -12.956 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 2.533 6.841 7.807 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 -14.015 2.675 -3.349 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 23.801 2.097 23.141 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 2.126 3.032 -1.009 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 -3.600 9.789 3.860 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 -3.809 -12.099 5.204 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 -2.075 2.268 -4.303 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 9.750 -2.511 -21.136 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 -7.760 -17.683 4.751 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 3.744 1.597 0.768 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 4.397 16.213 15.717 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 11.998 11.161 -16.760 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 -3.597 0.619 -2.561 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 9.707 -5.610 -16.629 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 -7.768 8.857 -0.384 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 1.217 1.226 8.384 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 -0.911 -0.005 16.006 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 -23.096 3.367 5.366 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 -1.804 -1.960 -1.524 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 1.475 -8.471 -9.635 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 -7.898 -7.489 10.366 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 -1.103 0.116 2.756 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 1.996 11.363 -9.386 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 9.687 -11.612 0.551 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 2.601 -4.012 3.816 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 0.784 -5.011 4.337 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 17.749 7.454 2.286 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 2.627 -2.702 -5.236 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 -3.524 4.013 5.867 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 0.522 3.204 -22.207 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 -6.230 -6.399 -1.174 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 -0.139 -6.904 -2.439 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 -12.656 -3.223 4.924 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 0.266 -0.024 -4.373 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 -0.590 -17.305 -6.972 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 -18.926 -10.085 15.202 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 0.437 -3.737 0.513 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 -7.795 -14.415 -13.267 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 -1.076 1.763 -2.892 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 -2.163 3.254 -1.088 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 2.701 -3.174 -5.403 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 -0.388 -20.682 -7.795 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 2.937 0.631 2.522 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 -6.438 5.168 -22.009 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 5.984 4.792 18.385 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 -5.602 -2.631 -1.993 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 -26.927 -23.832 0.712 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 17.559 0.676 0.795 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 -0.664 -2.443 -4.038 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 3.490 -3.826 -13.056 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 -0.610 -16.660 1.452 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 2.905 -4.647 5.451 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 5.105 -0.112 3.752 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 1.217 -9.526 6.848 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 -3.636 0.832 3.074 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 -4.053 14.447 0.576 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 -9.618 2.492 1.353 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 3.487 -6.990 -2.180 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 -17.205 15.839 13.983 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 3.334 -12.712 27.934 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 8.095 2.064 1.430 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 17.323 -2.321 5.090 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 -11.272 10.492 -8.008 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 -0.747 -0.079 -1.585 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 8.003 22.130 -1.793 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 -8.301 7.386 14.987 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 -0.650 1.225 3.229 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 -24.153 -21.841 6.427 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 -16.217 -17.405 -9.656 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 -2.854 -2.010 5.169 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 0.980 3.068 -1.857 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 1.260 2.722 -2.175 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 2.485 -7.269 1.276 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 21.061 -5.021 -8.634 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 -13.302 -5.760 -12.313 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 0.542 -0.369 0.502 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 12.735 26.190 18.779 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 8.679 -10.903 -7.195 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 -2.607 -0.102 5.532 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 13.603 -7.032 5.732 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 -9.269 0.613 -10.331 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 1.377 6.045 -3.103 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 11.064 -1.212 -9.814 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 2.083 4.948 -2.599 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 7.102 2.892 2.186 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 13.024 0.742 -22.025 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 -14.046 15.340 1.442 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 1.690 -5.278 1.508 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 4.296 1.720 -5.312 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 -8.508 16.924 12.201 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 -2.052 5.477 2.697 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 -36.518 -9.540 13.205 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 12.345 -2.656 16.365 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 -3.968 1.999 8.696 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 -11.952 -14.681 -4.041 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 -1.271 7.246 15.714 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 3.187 -1.850 3.443 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 -0.014 9.023 9.913 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 2.614 -17.642 -5.396 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 0.406 3.986 -3.322 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 4.507 2.486 -2.007 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 4.039 -7.492 -16.404 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 -1.796 -1.068 -0.231 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 1.877 11.121 11.690 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 0.016 -6.140 1.657 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 6.217 7.225 1.900 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 -10.321 -11.710 -12.142 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 4.413 -0.543 -4.714 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 -3.487 -2.067 9.170 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 -21.598 2.417 14.383 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 -5.744 -19.768 12.590 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 -1.007 -4.076 -5.551 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 -1.905 -8.532 -11.271 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 1.156 3.477 -2.226 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 0.798 -3.744 1.982 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 -1.629 21.495 -8.252 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 4.286 -32.734 13.643 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 -1.959 5.498 0.032 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 -7.082 7.630 1.778 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 25.951 6.105 3.563 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 6.157 -1.212 -2.911 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 -5.374 -17.864 -2.678 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 32.572 -5.024 13.146 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 0.517 -6.869 1.251 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 -12.379 -20.835 8.042 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 13.192 4.284 -13.552 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 0.543 2.576 3.244 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 17.240 7.859 -13.749 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 -9.702 -4.783 7.937 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 -0.588 4.333 -2.204 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 8.045 -6.699 8.960 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 21.865 -18.499 -1.405 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 -4.925 -4.895 2.185 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 -15.767 -3.343 -34.197 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 -1.914 -6.114 9.887 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 1.970 3.654 -3.127 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 44.064 36.468 -9.274 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 3.696 -4.381 -7.112 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 -7.766 4.002 -4.953 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 0.081 7.293 -8.945 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 -8.558 5.044 -0.923 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 -1.929 1.172 -4.720 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 -0.801 -2.973 -3.275 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 -6.085 -0.474 37.962 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 7.843 -3.765 1.924 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 8.738 -19.645 7.738 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 3.808 40.619 -9.978 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 -5.909 -3.465 -5.281 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 -19.391 -10.889 -15.691 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 -19.118 19.011 2.526 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 -0.086 4.546 6.806 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 12.588 24.113 -4.780 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 -20.708 8.945 -3.596 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 -3.183 2.212 -3.859 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 -21.910 -21.574 2.739 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 -2.776 -5.088 -4.402 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 7.612 2.963 4.214 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 12.473 12.615 -2.768 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 9.470 -5.728 -2.488 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 -3.957 5.691 -7.748 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 10.473 -22.720 -8.129 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 -4.699 6.521 -8.923 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 -0.536 0.342 -2.446 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 0.719 -4.957 -1.710 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 -3.121 4.630 1.901 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 -4.601 -3.553 -1.875 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 1.164 -9.697 6.260 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 -0.851 19.260 -7.621 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 2.143 -0.987 -4.820 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 1.162 6.232 3.416 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 7.002 -12.239 2.750 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 -2.254 0.909 4.069 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 -6.065 5.664 18.611 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 11.041 1.646 -4.067 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 1.155 3.669 0.448 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 2.221 15.282 5.982 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 23.614 -17.247 8.873 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 -1.737 0.035 3.451 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 -2.347 -1.946 -0.223 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 -26.568 2.842 6.060 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 -0.893 -3.392 3.566 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 2.401 13.672 8.702 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 5.267 -7.909 2.774 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 4.715 0.227 4.369 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 2.064 1.047 4.032 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 12.106 -1.189 7.375 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 0.438 -3.945 6.654 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 -9.780 -4.052 16.023 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 2.583 11.886 7.396 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 6.381 4.777 1.051 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 16.748 5.560 -2.943 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 20.158 13.146 -11.741 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 5.035 5.409 0.748 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 18.898 -12.392 3.258 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 -5.701 4.157 9.609 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 -2.063 -1.261 1.083 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 0.488 -2.279 7.370 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 -1.561 -1.777 2.817 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 0.485 -1.374 -3.338 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 1.204 -3.801 -11.108 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 28.727 -16.663 13.108 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 5.378 -3.180 -2.892 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 11.438 7.944 -1.719 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 -4.482 -1.138 -1.038 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 2.746 -2.850 0.874 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 8.817 4.403 -4.274 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 -0.465 -12.748 0.683 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 -0.482 1.286 -6.645 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 9.256 0.035 0.235 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 -5.048 -1.485 -23.260 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 5.176 0.598 2.838 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 -4.937 -16.808 11.557 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 5.326 -3.323 13.072 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 3.758 -0.499 2.023 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 2.593 -1.692 0.220 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 0.357 -0.576 -0.310 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 -8.343 -0.652 0.579 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 23.162 20.665 14.919 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 15.732 13.630 -5.065 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 9.137 -1.453 0.982 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 4.510 5.808 8.265 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 16.552 28.144 -16.963 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 -0.779 7.066 -2.678 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 -2.719 3.254 -0.848 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 2.463 4.715 -15.998 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 -2.474 3.217 -1.945 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 -21.586 2.980 -14.804 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 1.115 -11.543 -4.022 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 4.930 -1.232 -1.464 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 10.344 2.795 6.071 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 -24.593 -1.638 -11.977 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 -1.385 -4.822 -3.263 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 7.415 -7.327 0.593 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 8.527 -9.708 -3.813 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 -4.945 4.620 4.772 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 -3.459 2.808 -23.261 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 11.741 30.533 -31.522 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 -5.053 -5.477 -3.661 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 0.223 -21.714 5.272 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 -3.196 -7.579 1.903 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 3.614 -1.289 1.246 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 25.068 2.687 2.707 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 1.848 9.214 18.040 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 1.198 -5.239 2.189 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 1.043 -0.869 -6.428 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 27.067 9.592 18.676 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 -0.196 9.734 0.456 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 4.053 -1.667 30.604 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 1.646 14.154 9.873 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 1.403 -2.359 1.485 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 10.655 -17.800 6.461 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 27.946 -10.561 11.129 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 -4.757 -5.424 -3.066 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 -16.245 -6.594 -19.131 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 8.191 -6.167 -5.221 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 2.767 5.920 5.858 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 26.435 14.506 17.465 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 0.039 -12.577 24.386 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 -1.561 -0.343 -7.629 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 -7.754 -2.972 -6.233 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 11.831 14.852 21.691 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 10.029 2.456 6.398 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 22.235 -9.761 -19.544 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 3.022 -8.176 -1.023 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 -0.190 -4.792 -4.285 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 -14.424 6.508 12.701 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 21.448 -8.191 4.511 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 -0.828 -2.394 2.004 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 7.833 5.906 -10.794 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 -2.612 -9.588 -10.653 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 -5.920 -2.759 -0.069 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 9.754 -3.245 -24.417 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 18.771 6.796 -12.301 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 -5.140 2.368 6.293 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 0.281 12.548 21.755 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 6.408 -15.904 7.454 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 -2.390 -4.018 1.918 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 -2.511 -22.455 2.415 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 10.934 0.816 -2.209 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 3.888 -8.398 -0.778 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 -10.945 -21.340 2.154 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 1.426 -17.304 1.093 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 -3.713 5.913 4.284 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 -5.522 10.912 2.574 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 -2.438 4.977 -0.955 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 0.962 -4.655 3.513 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 -22.019 -2.503 -0.317 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 -9.068 3.901 19.117 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 4.963 1.556 -5.128 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 -2.806 0.264 -12.644 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 11.507 6.006 -8.871 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 3.217 1.789 -0.194 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 8.889 -7.181 6.474 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 -25.384 27.800 -25.223 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 1.163 3.170 -1.100 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 4.532 7.748 -29.561 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 -8.106 5.488 12.456 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 5.984 3.010 2.110 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 1.172 -9.616 3.071 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 9.315 1.489 1.099 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 3.998 2.346 -4.441 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 2.846 3.649 -6.744 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 4.022 5.664 -3.818 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 -2.200 2.348 -0.403 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 -21.985 17.780 -1.035 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 -6.327 2.756 -6.372 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 -0.878 -5.123 -1.982 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 -3.096 -1.854 4.291 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 21.507 -10.258 -1.848 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 1.619 0.091 -1.394 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 1.113 40.359 1.697 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 -2.786 5.442 6.721 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 3.226 -4.685 -1.959 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 15.807 -0.468 13.637 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 10.632 -21.150 -11.839 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 2.891 -1.203 -0.794 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 -5.328 17.905 -2.256 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 -0.491 3.920 -6.280 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 2.542 2.786 -6.081 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 -15.015 9.020 3.697 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 8.522 -5.857 2.070 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 -5.863 1.456 3.820 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 6.535 -8.178 6.924 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 1.264 23.215 -3.358 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 -5.467 -5.301 1.946 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 13.992 -27.042 6.415 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 4.946 1.914 -5.183 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 -1.089 2.187 0.231 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 -9.305 9.968 -10.230 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 0.445 -5.331 9.605 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 -0.285 -5.281 -2.276 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 -8.250 -4.223 14.057 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 -32.665 -22.831 -13.707 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 0.393 2.629 -0.218 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 -5.003 6.876 14.879 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 -2.607 -14.503 -11.067 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 -2.674 1.408 4.279 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 7.402 11.081 -7.508 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 7.831 -11.398 9.548 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 -7.365 2.367 -0.050 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 -5.503 -3.232 12.101 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 -17.869 2.636 30.323 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 -4.014 -0.041 4.009 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 -2.382 -4.263 -7.109 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 1.442 -8.553 -10.798 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 -2.021 -2.035 -3.592 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 3.876 3.860 -0.121 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 -1.648 -13.981 -3.471 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 3.308 0.440 -2.089 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 4.400 2.825 -2.246 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 -22.318 6.211 13.666 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 6.548 6.923 7.317 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 -19.697 29.200 -28.445 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 12.796 10.585 -13.533 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 -6.000 0.387 -3.975 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 13.872 10.325 -11.854 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 -17.109 7.490 -3.375 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 5.256 -5.105 -15.489 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 6.787 -3.525 -13.488 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 9.782 0.434 -9.199 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 0.095 2.240 -6.326 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 -12.076 7.886 -8.247 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 8.151 -2.737 -3.637 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 3.461 0.930 -8.918 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 -3.608 -30.061 -4.805 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 6.283 15.297 -13.328 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 7.529 5.811 -1.090 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 2.479 6.546 -1.023 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 1.935 6.710 -1.073 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 3.356 -1.060 -4.565 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 16.774 -15.005 -9.712 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 -1.819 8.427 2.468 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 4.708 -6.114 -3.294 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 2.577 -14.397 9.877 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 -4.482 15.087 -5.353 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 -6.358 8.061 -7.012 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 12.354 14.743 1.173 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 7.041 -24.934 -10.087 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 -5.531 5.212 1.346 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 -0.520 -2.653 -8.291 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 -4.287 6.292 -2.562 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 -2.890 2.293 -5.338 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 -3.889 6.625 -18.162 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 9.979 -0.394 -11.178 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 3.181 2.943 1.641 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 -8.840 8.925 16.319 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 25.710 -3.043 -5.962 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 -3.710 -0.532 2.380 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 -13.724 0.450 -0.390 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 -2.726 -5.670 11.331 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 4.026 -7.876 -6.119 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 6.041 -15.451 -5.028 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 3.434 -11.110 3.491 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 -0.765 -4.895 0.261 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 -9.713 -13.706 -10.980 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 -5.207 -12.811 18.351 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 -0.456 1.134 3.272 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 7.713 -10.573 7.870 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 3.665 3.752 -15.087 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 4.121 4.627 4.913 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 -5.020 9.701 6.836 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 11.816 10.140 8.554 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 -3.420 3.301 -3.242 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 -8.919 0.612 -25.397 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 2.900 3.061 16.716 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 0.535 0.490 2.326 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 -5.250 -1.491 7.751 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 13.563 -0.392 -6.215 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 -0.898 -3.703 -1.525 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 -16.845 1.162 -16.052 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 17.457 5.387 3.268 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 -0.169 3.888 4.745 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 -8.955 7.668 -3.335 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 1.767 5.493 5.591 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 -3.992 0.942 -4.644 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 -15.628 -10.415 -6.849 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 1.798 12.462 -5.179 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 2.213 0.359 1.438 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 -5.175 0.586 9.102 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 -4.442 -8.605 4.536 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 -2.593 -0.319 -0.258 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 -8.003 18.385 10.753 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 4.727 -14.913 -10.948 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 2.487 -0.194 -3.632 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 1.900 -1.010 -8.021 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 -2.235 1.007 17.480 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 -2.010 -2.098 -3.749 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 -2.023 1.094 -12.164 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 4.858 4.811 -0.846 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 -4.835 -1.016 4.743 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 -4.236 0.650 7.141 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 1.916 5.791 8.048 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 1.584 5.186 1.117 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 2.954 15.979 8.961 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 -1.497 1.205 1.047 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 2.665 -4.843 8.210 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 -11.200 27.391 2.343 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 6.024 -3.528 18.357 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 0.034 2.325 0.877 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 15.435 6.527 7.428 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 16.803 6.969 8.951 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 -2.744 0.034 5.028 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 -5.546 -13.173 4.689 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 -6.392 -8.770 10.508 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 -1.364 3.353 0.275 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 -7.109 5.499 -3.698 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 -4.071 -1.249 -0.338 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 5.278 -1.974 1.593 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 -5.988 11.988 3.058 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 16.840 2.595 -11.111 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 -3.308 -3.212 5.775 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 8.848 -0.917 5.459 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 -22.351 -10.674 10.117 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 6.729 3.927 2.394 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 -3.051 -9.577 12.125 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 -21.905 0.131 33.645 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 -1.987 6.152 -3.874 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 3.322 3.234 -9.191 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 8.482 -3.374 47.378 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 -0.749 -4.283 0.467 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 -11.312 3.852 -4.497 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 -22.866 -0.958 11.377 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 -0.351 -0.399 -5.249 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 -0.871 11.929 20.403 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 -14.529 13.657 -15.041 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 -0.775 -0.917 -0.358 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 -13.356 6.405 6.887 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 15.851 -3.573 4.897 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 -4.989 3.266 0.175 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 7.445 -13.607 -22.073 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 -13.561 -23.753 9.833 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 -2.410 -2.985 -1.766 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 -10.827 -10.030 7.765 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 -10.860 9.466 -7.326 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 4.828 -7.891 3.986 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 -5.036 -6.349 6.267 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 -6.098 -18.145 7.652 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 -1.197 6.866 2.713 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 6.164 1.568 2.550 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 4.178 -3.361 -4.561 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 -4.038 4.320 -2.885 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 6.780 10.917 -24.921 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 15.359 -2.342 6.041 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 -6.099 -6.353 2.766 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 -21.562 0.479 -8.418 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 -7.185 -3.273 7.105 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 -2.510 -1.317 -0.878 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 -9.673 -4.354 -31.716 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 -4.869 3.798 -29.061 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 5.499 3.451 -0.980 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 -8.254 -7.842 3.963 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 -2.528 -12.805 -6.396 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 1.560 -0.090 3.379 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 4.883 5.400 15.469 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 6.992 8.954 -3.333 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 -3.648 5.934 -0.306 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 -10.295 2.305 -1.168 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 -2.863 7.229 0.019 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 4.557 -13.432 -3.275 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 16.110 -6.042 11.773 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 10.203 24.373 7.948 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 -0.772 1.067 -7.718 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 8.890 -4.250 -4.673 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 11.529 0.073 4.585 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 -2.553 -0.907 -0.552 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 14.925 -27.048 -15.770 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 -15.490 -20.372 9.962 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 4.344 -1.381 -2.955 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 4.425 2.669 -18.336 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 5.861 6.242 -3.886 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 3.793 -7.408 4.194 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 -4.268 -15.953 11.257 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 -14.762 -1.195 -13.795 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 -1.559 -1.514 2.733 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 2.175 9.184 7.253 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 -6.211 -6.719 -12.347 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 -0.301 8.656 1.504 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 -0.083 8.427 -0.180 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 2.350 4.085 16.596 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 -5.037 7.787 3.492 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 9.663 -18.588 32.983 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 21.629 -5.201 9.110 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 -0.585 -3.211 -2.698 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 -5.317 0.443 1.633 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 -9.704 16.233 -9.798 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 1.789 7.517 -0.561 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 -1.415 16.647 0.035 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 4.185 -1.024 -0.570 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 0.554 -7.023 1.997 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 -4.104 -11.516 -7.514 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 4.947 1.446 16.151 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 -5.417 1.467 -1.521 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 -9.049 -0.280 -5.229 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 -8.982 6.802 22.921 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 3.506 -0.938 -2.281 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 -4.418 0.025 17.951 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 7.753 -11.580 25.042 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 4.875 -3.580 -6.505 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 -2.051 -4.316 -8.153 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 6.000 -0.405 8.598 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 -1.233 -3.929 3.803 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 -8.297 -7.456 10.654 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 -5.200 -3.370 3.774 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 0.100 -0.216 -0.968 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 3.479 -8.683 -9.860 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 -6.280 14.300 14.688 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 1.774 1.083 3.761 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 -3.629 -5.753 0.892 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 -0.559 0.168 12.272 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 8.917 0.517 -1.551 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 7.376 -0.008 6.633 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 7.156 6.941 -5.780 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 7.111 -2.465 -4.089 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 18.421 12.325 -14.970 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 -17.205 -12.462 -7.461 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 -2.422 5.444 3.546 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 -6.801 15.018 -2.491 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 8.734 -14.141 14.667 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 -9.239 2.615 -1.185 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 -7.804 21.460 -22.315 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 9.275 12.801 16.829 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 -7.329 4.898 -7.799 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 -5.223 4.675 -7.504 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 -8.939 5.644 12.718 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 -0.894 5.214 -1.626 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 -0.644 6.886 -3.317 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 -1.170 -1.966 7.955 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 -5.261 -2.820 -4.779 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 -17.294 -2.123 -18.841 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 12.295 -6.661 16.006 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 2.374 1.101 7.704 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 -11.247 -0.199 -13.712 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 16.076 2.001 -0.380 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 -1.380 8.171 -4.582 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 -0.630 16.097 -2.977 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 2.938 -1.118 -12.770 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 -4.690 -1.915 -0.618 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 -17.450 -0.906 4.687 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 -16.431 9.030 3.796 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 1.759 -3.010 -2.137 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 -13.510 3.438 17.647 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 -3.277 -3.119 2.074 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 -3.780 4.306 -2.859 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 6.038 12.435 -2.560 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 -10.062 5.113 15.767 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 0.901 0.430 -1.721 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 6.084 1.717 3.898 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 -0.295 8.283 -6.187 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 -5.527 1.842 1.837 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 -17.465 12.640 3.990 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 -12.889 -28.480 -11.676 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 -2.566 -3.937 -1.832 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 5.191 -12.747 -19.420 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 26.074 8.493 -3.418 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 -2.619 0.817 -5.192 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 -3.690 -7.079 2.979 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 -2.357 0.821 -5.386 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 -0.434 -6.332 1.590 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 -4.223 0.831 -7.190 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 3.553 -17.344 9.563 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 3.953 8.195 1.819 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 12.219 -2.489 -2.360 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 0.657 5.718 17.034 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 1.104 3.017 0.699 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 -3.766 1.241 -24.805 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 -0.775 2.885 -8.445 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 0.991 4.922 -6.172 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 -10.716 -14.061 -5.113 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 16.441 -6.952 -4.169 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 1.250 1.965 0.808 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 -2.858 7.692 2.086 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 11.997 4.593 5.108 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 4.450 8.243 -3.432 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 15.741 15.539 -21.051 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 11.410 -0.086 -4.373 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 1.209 1.812 -0.674 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 -24.277 -2.838 7.907 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 9.370 17.655 -0.043 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 -4.735 3.504 -0.850 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 3.988 15.354 14.997 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 4.842 5.630 0.147 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 -5.172 -1.310 6.325 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 0.558 10.537 19.936 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 -3.568 1.959 -10.353 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 2.890 4.226 3.082 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 4.616 -5.192 1.173 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 4.301 3.956 7.314 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 2.544 2.044 -4.972 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 -6.867 -0.587 -3.452 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 3.619 4.347 26.351 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 -1.932 -2.661 -0.061 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 -5.889 -15.667 -11.245 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 -6.356 12.466 36.084 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 -1.613 -3.724 1.563 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 -3.476 -3.641 6.605 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 5.499 -4.150 -13.275 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 -3.120 2.664 -1.863 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 3.536 6.139 -11.601 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 19.059 2.937 -0.526 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 6.149 -2.789 4.926 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 3.220 -19.915 5.844 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 12.055 9.250 -14.838 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 -3.564 -1.899 -0.822 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 -4.699 -2.514 -16.799 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 -3.594 12.265 3.662 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 -0.975 -4.769 5.371 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 0.056 4.219 -1.211 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 -18.020 7.700 -24.088 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 2.546 -0.753 -2.846 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 -5.185 -5.188 0.888 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 2.292 -19.142 11.932 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 1.613 0.148 -5.756 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 3.516 8.080 -8.766 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 -6.399 35.334 7.583 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 -2.680 -1.734 6.825 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 -6.894 2.802 4.076 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 -1.708 40.139 4.521 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 -5.837 -3.584 -1.387 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 -20.369 -6.489 -7.218 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 10.395 -0.791 0.710 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 5.060 -2.981 -2.207 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 6.471 1.886 -6.049 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 3.144 -6.354 4.982 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 1.995 8.769 -0.699 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 11.121 8.994 6.856 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 25.839 -5.098 14.637 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 -3.621 0.346 0.489 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 -25.249 6.831 -26.636 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 0.486 6.292 22.177 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 0.964 0.278 -1.681 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 -16.141 -3.261 -0.827 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 5.734 15.119 -6.268 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 3.761 1.568 6.084 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 41.353 25.021 -1.020 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 2.747 -30.705 -24.752 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 -0.451 4.670 -2.523 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 8.058 -18.301 15.134 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 1.612 -15.096 -18.270 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 4.356 -1.611 0.828 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 7.473 -24.030 2.056 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 3.111 24.216 7.877 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 1.062 0.545 0.682 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 -5.339 -21.618 4.360 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 -1.310 -4.801 -0.018 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 -2.707 -0.867 2.268 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 4.721 -8.274 10.302 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 3.100 1.158 2.237 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 -6.069 -0.358 3.180 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 -1.974 -12.555 -3.551 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 1.788 5.211 -10.644 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 3.220 0.395 -2.000 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 7.147 0.000 -4.144 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 -4.435 -5.207 -5.316 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 0.561 -0.156 -2.328 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 1.863 3.181 -3.678 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 -1.971 -8.018 0.650 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 1.335 -6.773 -6.081 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 -6.027 0.766 -9.503 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 -10.726 -12.918 14.489 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 3.622 0.333 3.656 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 -3.357 6.445 3.011 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 7.044 3.425 7.045 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 0.636 1.200 5.695 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 -15.945 18.441 -0.848 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 24.872 11.116 -8.010 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 -3.745 5.879 -0.867 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 -4.604 8.028 1.132 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 -13.437 6.256 2.711 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 -7.038 -13.390 2.998 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 -15.915 -17.681 10.878 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 15.997 -10.896 -22.480 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 1.457 1.856 4.468 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 9.943 0.651 -4.855 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 -9.489 17.468 10.057 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 -5.936 7.696 -2.301 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 9.896 4.994 -1.245 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 18.340 -1.230 -12.013 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 0.512 -0.369 -0.838 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 -1.517 -1.855 0.586 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 -13.759 -5.214 3.846 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 -1.011 2.348 0.194 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 13.615 -2.543 -2.743 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 19.716 18.926 -10.593 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 -0.378 -5.850 -2.035 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 -3.768 -17.721 -28.101 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 -5.907 -0.504 -36.510 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 2.488 1.122 -4.136 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 -2.992 -5.090 2.040 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 7.975 9.499 -11.804 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 -3.637 0.074 3.626 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 -8.552 -0.027 4.331 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 5.816 4.432 -0.112 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 5.855 -0.986 -6.146 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 -22.281 38.983 5.063 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 -20.978 20.104 -10.721 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 5.456 -2.612 -2.638 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 5.607 8.963 15.014 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 -8.389 28.945 -4.187 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 -7.140 2.907 3.475 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 -3.161 21.093 -12.746 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 3.052 9.898 21.686 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 1.957 -0.330 0.965 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 -21.391 -2.439 1.866 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 -7.225 -6.700 -3.663 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 0.537 -2.996 11.321 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 5.965 -2.114 22.650 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 -13.313 9.152 13.521 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 5.484 4.768 5.173 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 5.054 4.148 -1.271 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 0.697 5.228 -17.095 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 5.784 0.611 4.452 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 3.175 -8.790 5.632 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 0.702 -43.688 -6.162 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 -2.735 6.016 1.920 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 -7.981 -4.835 3.070 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 -7.935 0.084 -0.018 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 -2.071 -1.700 -1.174 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 4.432 0.720 6.980 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 -2.927 -5.386 -4.250 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 0.643 1.877 -6.328 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 5.786 0.078 0.382 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 -0.940 4.061 -13.414 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 9.414 -2.475 2.620 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 -22.462 -5.691 -20.823 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 -3.630 -10.444 -14.413 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 -3.151 -0.423 1.903 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 2.739 -2.521 -34.003 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 15.413 14.366 12.903 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 3.804 -1.007 3.470 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 6.689 -8.434 20.820 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 20.025 -12.172 -1.356 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 -3.986 8.279 -1.684 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 4.420 30.775 2.497 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 6.530 -14.117 21.543 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 5.124 -0.308 2.195 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 11.762 0.811 -0.964 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 -10.648 2.469 7.874 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 -1.428 -3.007 -0.940 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 -16.641 -7.245 -19.664 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 16.521 11.314 -12.250 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 -1.572 2.837 4.966 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 12.065 11.100 9.458 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 -10.761 -2.980 18.141 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 5.183 0.822 2.833 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 16.793 -7.729 10.985 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 20.601 6.995 15.706 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 -0.884 -0.384 0.827 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 2.359 2.364 -7.918 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 4.274 -7.788 -5.706 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 1.702 -6.879 -1.443 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 -4.117 -17.710 5.049 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 -4.644 -6.701 -13.466 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 11.253 -0.907 2.211 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 -6.945 -13.069 -7.320 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 0.246 -14.914 -3.290 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 -3.701 -3.030 0.399 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 -6.211 -2.314 3.931 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 8.116 -21.830 22.766 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 5.497 -4.734 -2.912 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 19.820 20.049 -0.235 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 16.070 -5.388 29.854 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 1.564 -0.259 1.858 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 7.744 -5.679 1.227 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 -4.210 -4.537 -3.311 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 -2.548 2.500 1.110 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 -6.162 -4.433 -16.951 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 1.005 6.771 3.597 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 -1.162 7.034 -4.161 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 25.333 -16.471 0.088 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 3.949 -10.246 -15.218 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 1.491 -2.963 -5.032 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 -14.475 -4.321 -9.845 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 9.465 -5.227 4.494 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 -11.501 1.323 1.266 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 -12.846 1.195 -18.530 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 -5.996 -7.428 12.090 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 5.233 0.651 1.867 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 15.775 9.111 6.865 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 18.431 0.912 3.782 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 -6.198 1.479 -2.832 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 22.421 7.183 -23.207 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 1.819 -13.283 23.558 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 5.411 0.181 1.115 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 4.379 5.839 4.575 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 3.152 -3.252 5.641 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 0.781 -3.734 2.325 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 -3.860 -9.576 -11.857 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 -10.910 12.384 6.379 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 2.251 -0.531 0.499 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 20.563 2.076 2.645 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 1.865 7.045 8.111 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 7.224 1.022 -5.365 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 3.577 -10.735 0.120 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 9.984 20.100 -5.535 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 5.441 1.240 4.684 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 14.829 19.006 1.187 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 -11.817 6.673 5.959 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 3.260 6.370 -6.927 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 1.103 0.092 11.620 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 11.151 -6.660 11.033 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 2.928 -0.203 1.411 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 -1.736 -12.374 -5.792 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 6.408 6.780 4.841 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 -0.355 -5.834 -1.852 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 -0.285 1.103 -6.939 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 5.364 -8.885 -5.610 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 4.138 6.393 -5.832 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 -17.588 -8.910 0.344 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 8.528 7.193 -3.094 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 -1.934 -5.311 1.006 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 -1.902 4.331 4.262 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 4.599 -17.436 5.680 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 9.476 -0.716 6.922 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 1.302 5.588 -12.535 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 3.643 -0.704 -9.838 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 8.621 -0.148 -1.270 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 -9.544 -17.785 -26.823 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 -1.036 -0.413 -7.219 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 4.098 -1.953 -2.004 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 7.354 -5.509 2.861 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 -3.971 13.747 5.025 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 -2.178 3.703 -4.527 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 -6.429 -13.667 -1.465 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 2.249 7.315 -7.170 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 1.703 0.324 0.560 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 2.497 3.748 -5.387 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 10.143 -4.554 4.837 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 -4.809 1.299 -0.602 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 -2.546 -2.746 18.676 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 -15.723 -5.491 1.988 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 2.317 -4.866 -2.685 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 12.865 -11.311 11.302 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 -10.873 8.625 4.458 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 3.854 -1.700 -2.326 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 -4.877 2.840 11.029 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 3.258 -8.584 4.809 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 -1.011 3.327 6.628 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 -4.212 -6.926 6.010 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 9.142 -6.457 14.623 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 1.963 -1.228 -0.250 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 -5.592 -7.753 -5.601 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 0.136 -24.629 -1.638 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 -1.080 -5.285 4.371 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 10.641 -11.930 9.324 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 -6.681 -17.342 -9.485 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 -2.733 7.689 -3.673 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 2.803 -0.132 17.962 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 -2.769 -29.957 17.227 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 -2.815 -1.391 -4.042 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 6.817 -16.566 -13.606 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 -12.639 24.074 -6.184 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 -1.925 4.009 -0.040 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 -0.330 -4.327 -14.266 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 11.521 0.440 20.814 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 0.212 -1.130 -4.112 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 2.403 -20.765 -3.131 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 -5.691 3.152 -2.136 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 4.470 -3.771 -3.524 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 4.570 -3.226 -8.640 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 5.849 1.048 -26.830 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 -1.247 -2.784 -1.483 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 7.479 -10.798 3.659 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 -17.704 20.387 -10.007 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 0.021 1.926 -2.753 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 -10.877 -19.216 1.638 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 2.359 6.706 -4.593 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 -1.918 2.708 4.120 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 -12.454 -17.968 11.137 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 3.869 14.905 -0.387 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 10.725 -2.124 -5.203 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 15.576 -12.026 6.241 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 15.905 -9.294 12.486 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 0.076 -4.693 4.968 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 -18.622 -11.371 -0.950 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 -10.678 12.503 21.104 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 -7.659 4.623 2.395 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 -0.535 9.258 0.123 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 -11.734 2.478 4.418 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 -2.975 -5.611 0.940 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 1.818 0.669 -6.513 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 4.529 -6.060 5.873 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 2.779 -0.133 -3.690 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 9.032 -0.104 6.071 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 -0.059 14.234 -14.330 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 0.252 -2.208 -0.064 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 0.883 -6.836 3.263 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 4.585 -2.061 -0.984 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 0.186 -10.673 -0.159 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 4.794 -8.464 3.089 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 -6.149 -1.708 -8.130 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 0.707 -0.390 -0.367 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 -8.834 -3.398 25.998 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 1.759 -1.295 6.192 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 8.242 -3.137 -4.482 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 6.187 -3.327 -1.581 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 -12.685 -12.648 18.360 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 -1.363 2.305 0.627 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 3.038 3.205 6.934 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 1.907 7.229 9.803 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 0.726 -0.097 5.053 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 13.694 12.468 -26.879 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 2.917 1.248 4.181 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 6.458 6.156 -1.205 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 4.293 22.938 -2.727 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 -0.272 39.538 -16.418 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 0.550 1.266 -1.637 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 -8.572 -2.746 -0.796 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 4.920 1.259 4.318 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 2.895 0.619 -7.767 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 5.423 -2.861 -9.487 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 -1.964 -9.327 25.003 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 -0.035 1.662 -0.386 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 0.918 -1.133 -5.208 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 -3.551 9.570 10.344 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 0.772 -1.173 5.273 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 -7.745 -1.204 -6.029 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 6.419 1.932 0.222 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 5.576 3.219 3.854 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 17.462 -4.276 12.981 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 12.071 -0.820 22.474 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 -4.851 0.760 2.831 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 -1.172 -17.959 -11.327 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 1.371 -24.893 -3.792 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 0.253 -6.273 2.378 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 -5.516 -23.982 -27.328 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 20.914 -6.035 -5.857 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 2.193 -1.117 1.107 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 -9.003 3.385 2.396 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 10.688 -6.499 4.318 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 6.778 2.545 -2.879 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 16.000 2.380 -5.552 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 5.549 3.476 -5.625 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 -1.307 3.912 -1.425 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 -9.555 7.092 -13.253 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 -13.066 6.731 5.549 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 -6.756 -2.703 -11.338 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 1.561 -8.266 18.513 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 -32.144 -11.615 -17.283 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 -2.760 0.471 2.037 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 -1.718 4.201 8.454 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 0.911 -3.654 -5.728 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 -8.580 -4.891 6.307 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 -4.127 4.346 8.224 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 -12.827 -20.622 12.374 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 4.576 -0.099 4.997 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 -16.302 -8.705 -5.458 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 22.066 15.877 -8.395 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 4.679 2.073 0.403 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 19.121 0.270 20.852 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 12.198 -4.217 0.380 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 -3.389 -2.921 -2.209 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 9.654 29.830 5.430 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 11.766 -14.532 -3.179 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 -0.877 0.543 2.371 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 -13.216 23.653 23.523 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 -15.189 15.570 2.403 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 -0.408 1.980 -0.792 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 7.038 -17.642 1.027 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 5.963 7.922 -19.113 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 1.807 0.330 -3.517 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 23.353 -3.829 19.670 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 -20.928 4.480 -0.834 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 0.934 5.120 -2.518 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 -2.281 -0.268 3.543 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 -17.002 -6.014 -0.931 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 -0.477 -7.202 10.002 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 -2.542 -8.227 11.425 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 -2.565 -11.228 10.819 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 -2.592 -3.525 -1.174 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 -10.755 -5.042 -0.596 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 16.013 -5.400 5.444 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 2.755 3.618 6.258 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 0.719 3.196 3.725 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 -8.356 4.001 -20.571 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 0.340 -1.251 -10.026 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 0.160 5.107 -4.209 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 -1.372 8.058 -1.900 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 -2.083 -1.067 -0.465 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 6.722 8.658 1.494 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 7.992 10.333 2.224 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 -3.681 0.839 -0.235 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 8.169 -24.277 -2.640 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 -17.885 -20.146 -10.710 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 6.724 -6.185 -8.880 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 0.838 7.625 -3.243 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 -12.778 3.008 -26.613 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 0.573 1.713 -3.107 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 -6.418 2.508 28.298 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 9.419 -0.233 -8.243 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 -1.694 0.894 -1.413 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 14.443 -0.574 6.643 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 14.675 5.773 3.527 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 2.812 -4.233 1.039 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 1.387 -15.958 -5.997 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 10.635 -6.596 -2.615 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 2.009 -4.003 -5.957 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 5.058 -4.357 -5.578 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 -11.127 12.021 3.033 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 1.128 0.952 4.012 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 7.223 -29.412 -3.114 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 5.448 3.417 4.590 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 -2.324 -6.926 2.629 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 13.766 -2.166 19.810 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 6.675 -11.070 11.824 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 2.554 -1.012 -0.918 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 -14.616 13.060 -10.904 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 11.208 -3.196 -4.239 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 -5.868 2.374 2.168 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 0.951 11.162 11.301 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 -10.144 11.079 -22.778 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 -0.794 -3.755 1.376 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 -13.756 -9.016 7.638 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 7.437 10.499 -4.390 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 6.538 -6.496 6.647 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 3.666 10.660 -15.606 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 -9.565 6.278 18.450 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 3.983 -0.354 1.118 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 -0.020 -13.269 21.224 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 -16.775 4.633 -7.277 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 4.244 4.826 0.117 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 4.535 -7.376 19.894 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 0.799 9.261 2.574 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 -4.461 0.665 0.944 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 -18.000 12.454 -11.177 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 4.994 -5.667 -15.946 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 1.430 -1.061 7.365 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 -19.882 7.841 -8.425 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 -0.491 15.773 29.012 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 4.575 1.536 -3.537 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 -2.269 -10.839 16.352 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 1.943 -3.075 4.610 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 0.748 2.843 4.629 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 -1.802 -2.187 16.009 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 -20.022 -1.374 17.077 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 -2.146 -0.953 0.995 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 -11.026 -5.593 -0.388 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 -4.815 2.639 2.460 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 2.203 0.619 -4.792 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 4.404 11.216 -3.866 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 0.870 -5.333 -5.369 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 0.031 1.663 -1.104 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 -0.574 -7.895 -0.224 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 -0.190 -8.550 -3.575 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 11.446 -5.945 -0.156 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 -11.616 0.711 13.206 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 -3.928 5.150 -4.522 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 0.755 0.154 -7.349 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 -13.639 2.586 -13.172 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 4.159 -10.200 -22.285 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 2.472 -0.031 -2.092 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 9.669 -0.799 5.419 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 6.291 -4.111 -11.206 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 -2.126 -3.835 1.494 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 -1.484 1.973 1.773 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 -4.930 1.602 -9.534 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 0.007 -2.958 -1.095 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 -11.318 7.582 -3.644 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 14.819 -15.867 -0.813 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 3.994 -2.189 -4.055 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 1.478 -10.290 -10.088 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 1.254 -18.918 -11.463 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 6.946 1.316 -0.224 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 2.252 -9.676 -6.745 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 -4.317 3.793 10.336 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 -5.364 -2.235 1.371 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 2.950 2.447 2.137 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 2.388 -8.295 1.179 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 -4.001 -1.776 7.752 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 -6.726 8.037 3.017 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 -0.299 -4.609 18.007 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 -3.016 0.931 -3.244 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 -7.015 3.629 -3.304 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 -4.229 1.828 -3.497 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 0.599 -2.687 -4.536 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 -23.346 -2.084 -11.274 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 9.986 5.162 11.045 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 -2.180 -3.367 5.967 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 -19.533 -8.354 -20.924 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 -18.690 -11.587 -8.446 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 -3.909 -1.227 -7.281 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 7.145 -3.505 -1.447 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 1.821 8.304 -6.770 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 5.517 2.422 -3.805 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 4.000 -0.161 -3.248 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 6.648 3.181 -1.276 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 4.378 -3.125 -8.317 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 -7.832 10.684 26.099 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 15.975 2.563 3.017 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 7.376 5.552 0.334 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 -5.398 9.367 -16.940 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 -27.561 -5.903 8.026 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 -6.211 1.637 1.799 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 -4.618 2.396 -0.140 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 -6.768 1.519 0.004 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 3.796 -0.773 -3.621 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 -18.128 -16.778 37.616 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 13.787 -4.138 -2.457 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 6.442 -2.337 -2.104 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 -1.573 5.678 -0.942 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 12.122 -18.782 0.143 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 -3.731 2.642 -0.586 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 6.600 -1.748 3.671 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 -5.801 1.871 -2.917 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 3.925 2.041 6.502 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 19.093 -12.171 16.345 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 19.576 -4.101 6.882 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 -1.961 -4.037 -1.736 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 17.642 7.135 5.056 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 7.412 -22.091 -10.797 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 -0.891 1.552 1.939 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 7.850 -3.458 -0.266 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 -26.534 -1.393 -1.803 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 3.189 -2.646 0.533 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 0.269 -5.870 -8.984 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 12.644 -9.947 1.263 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 7.357 5.475 5.000 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 -2.337 -6.804 16.980 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 9.152 -22.560 4.844 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 3.524 -3.611 0.731 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 -7.175 -4.962 -6.384 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 5.727 -3.654 4.681 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 -1.071 -5.539 -0.055 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 -15.493 -6.276 11.852 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 21.982 -7.131 9.646 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 8.368 -5.299 0.734 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 33.113 29.557 -11.305 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 -17.684 0.179 21.236 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 -2.022 2.689 -1.720 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 -5.377 12.118 -16.685 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 -0.020 11.537 -15.537 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 -6.155 -6.551 -4.129 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 -0.513 -0.878 24.860 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 7.186 -3.510 -15.136 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 -2.134 -6.871 5.185 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 19.581 -14.672 2.567 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 -14.896 1.119 -7.921 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 6.209 -3.259 4.901 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 1.756 -27.016 -0.177 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 0.131 -5.428 -3.021 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 5.937 -8.203 9.040 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 -18.918 -18.488 10.242 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 -0.520 -7.201 -24.308 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 -2.775 3.751 4.817 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 -14.811 -2.540 4.200 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 -41.705 -3.826 -3.424 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 -1.362 3.894 2.150 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 -13.340 13.561 0.563 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 -11.753 8.292 18.656 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 8.574 4.410 4.447 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 -1.755 -12.703 -11.419 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 8.689 1.347 6.441 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 -6.127 1.820 0.900 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 -11.171 0.179 1.620 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 -4.676 5.569 0.117 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 -3.600 -1.276 5.286 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 8.917 11.434 13.514 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 -13.313 -12.409 -6.772 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 -0.926 -1.246 10.498 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 2.778 -3.737 9.170 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 9.189 -20.766 18.307 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 0.986 2.131 3.987 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 10.738 2.083 0.958 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 7.621 2.791 -1.838 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 0.696 0.283 -1.534 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 -4.324 -27.193 0.830 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 11.417 16.161 0.807 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 0.628 4.768 6.682 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 9.786 24.909 26.326 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 -12.725 8.785 13.545 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 4.073 -1.349 -3.490 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 3.860 1.687 8.842 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 5.649 -0.623 -7.385 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 -3.794 5.071 -5.310 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 -18.966 11.147 -18.933 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 17.321 -4.505 -3.716 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 -3.361 -3.518 2.388 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 -19.534 13.392 10.652 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 40.677 9.046 19.955 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 -2.784 4.671 3.789 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 2.355 19.716 -3.002 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 -3.989 7.794 -1.392 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 -2.741 0.646 -2.295 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 -1.981 -11.872 3.189 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 10.612 -39.898 -10.736 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 -5.450 3.545 4.350 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 -17.241 32.907 -1.670 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 -11.317 15.266 13.540 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 7.807 -9.820 -5.650 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 -5.899 8.824 -19.853 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 -1.550 -11.995 6.243 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 -7.904 -6.017 2.669 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 -22.361 -21.730 1.700 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 12.414 7.201 11.583 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 -7.314 -2.216 -2.304 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 9.658 2.431 -7.592 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 -19.621 -5.338 1.450 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 -1.016 3.077 -2.055 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 0.764 5.533 -24.941 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 12.919 8.069 3.524 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 1.364 -5.388 -1.491 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 7.085 9.569 2.426 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 1.112 -3.991 0.811 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 4.450 -4.227 1.114 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 -1.666 -3.220 -1.456 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 -5.608 -10.737 13.907 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 -5.917 0.105 1.373 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 22.548 12.557 4.739 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 -10.151 -12.619 -8.429 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 -4.645 -0.786 1.828 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 -5.296 2.270 -3.155 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 -15.946 -1.539 12.949 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 -1.130 0.677 3.016 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 -1.561 -6.706 5.612 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 -0.169 17.581 13.202 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 -1.059 -6.072 -2.415 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 -14.128 2.800 -11.002 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 -20.569 0.854 -2.672 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 -0.889 4.360 -3.055 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 -0.219 2.764 -4.756 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 -19.932 22.144 18.648 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 -3.411 6.708 -1.844 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 8.298 -16.243 7.484 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 -7.606 7.798 9.018 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 7.896 -0.191 -2.197 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 -6.029 -16.993 7.992 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 -17.084 12.745 -15.378 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 2.531 -0.362 -3.189 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 2.991 17.774 -15.651 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 3.507 -1.965 -29.159 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 -2.478 -2.282 -1.100 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 13.634 3.724 -4.171 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 18.222 25.503 -18.446 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 8.988 -0.362 -4.292 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 -6.193 6.903 8.163 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 4.151 7.477 17.056 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 3.951 -2.739 2.431 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 -3.170 -7.288 26.421 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 -9.985 20.840 -5.325 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 -3.637 -2.349 -1.763 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 11.117 -10.214 19.082 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 1.382 -2.246 4.560 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 1.565 1.836 -4.452 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 -4.628 29.311 -18.299 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 15.449 11.122 7.221 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 -2.553 -0.900 1.172 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 16.743 8.571 -8.419 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 1.976 -22.862 4.450 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 -3.574 3.883 0.069 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 -9.197 -11.373 -7.511 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 -14.111 -16.362 -3.104 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 -1.510 1.797 0.444 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 -4.599 -10.554 -4.404 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 18.599 46.707 -6.619 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 -5.776 -1.067 -1.838 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 7.661 -9.028 -1.177 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 -0.601 14.362 8.352 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 -0.448 1.848 -1.123 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 -2.575 3.285 -17.010 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 8.181 -7.406 17.850 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 8.508 3.681 2.189 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 5.378 -1.541 12.744 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 1.841 -32.375 19.030 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 -3.872 3.820 5.421 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 -4.014 11.873 -11.869 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 5.452 -15.026 17.295 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 1.721 3.531 -3.480 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 -5.145 -14.342 -34.721 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 -5.713 -13.406 -22.292 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 1.709 -2.939 2.207 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 -5.463 -3.867 14.855 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 6.864 -27.789 -6.455 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 2.043 0.215 2.028 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 5.265 -22.717 5.498 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 23.893 -45.602 10.912 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 -3.166 -3.490 3.993 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 16.061 4.019 13.739 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 -6.219 4.402 0.621 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 -0.492 4.646 -7.709 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 4.811 -7.667 -6.006 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 -3.600 8.647 -3.969 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 0.759 4.259 -3.381 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 -0.352 6.588 -1.942 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 0.557 1.879 -2.059 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 -1.532 2.364 6.017 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 8.290 11.467 1.832 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 -15.476 8.592 4.720 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 4.146 -0.844 1.375 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 -0.016 1.202 20.195 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 11.461 16.279 -5.265 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 3.683 -1.678 0.820 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 18.814 3.661 -28.805 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 -7.337 -19.046 -10.472 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 -0.930 4.097 -10.147 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 -3.710 -5.405 -18.672 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 -7.570 -7.498 -8.861 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 -3.874 -1.540 7.717 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 19.223 3.833 9.742 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 0.380 -11.644 -10.088 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 -1.109 -4.517 -10.000 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 -4.000 -13.407 -26.117 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 -22.511 -8.452 3.644 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 7.311 -5.229 -0.853 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 -15.567 6.250 -9.854 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 9.105 -1.934 -15.927 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 -2.658 -0.409 2.073 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 16.237 15.132 -6.111 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 -4.873 1.685 12.216 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 -3.897 -0.967 5.721 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 -11.297 -20.377 -14.630 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 -9.434 -14.116 -23.523 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 1.537 -0.821 -1.550 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 9.685 -15.930 -6.568 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 -7.520 10.687 1.620 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 3.256 -0.162 -6.918 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 12.112 -7.450 4.490 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 -8.724 17.766 -3.861 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 -2.817 -2.758 2.206 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 7.297 -3.952 4.762 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 -7.032 -6.622 4.701 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 2.260 -4.930 10.212 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 1.498 -27.157 -3.734 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 2.822 -14.402 6.403 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 5.442 -5.060 3.350 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 -25.837 -9.416 1.402 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 21.716 -9.814 -17.008 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 1.611 -6.251 -2.908 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 -10.840 -3.364 -15.546 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 15.048 3.552 -8.214 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 2.094 7.220 -4.637 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 -2.382 16.102 -9.100 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 7.610 -1.472 2.739 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 -3.211 2.233 6.842 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 -7.779 -15.393 -11.235 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 1.580 -1.531 5.599 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 1.153 -0.012 0.860 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 -5.055 17.084 -21.121 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 1.853 -1.635 -0.647 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 5.525 4.392 -2.833 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 8.614 -3.268 -17.855 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 -10.087 -4.052 -14.398 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 -8.284 -4.738 1.831 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 -11.211 -4.086 0.861 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 -22.051 -8.956 14.641 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 0.303 -2.221 -3.633 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 9.256 10.391 6.347 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 0.323 -5.068 -0.001 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 -3.131 1.713 2.566 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 3.711 -17.789 -5.162 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 22.375 15.531 3.878 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 -3.705 4.407 -7.401 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 2.651 -2.063 1.944 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 -4.490 11.208 -1.674 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 -4.645 3.374 -4.486 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 4.273 9.920 6.348 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 3.349 7.764 6.641 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 4.177 4.227 1.523 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 2.964 -0.238 5.459 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 3.231 -0.959 6.009 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 1.247 0.374 0.752 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 29.816 2.909 10.232 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 -4.675 5.126 -11.797 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 7.825 -2.290 -1.802 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 19.448 -14.823 -0.573 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 -18.023 11.892 -17.937 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 -1.937 1.062 -1.094 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 20.792 16.468 17.746 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 -24.899 -7.082 14.591 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 -7.060 -4.603 -2.061 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 -1.889 0.150 4.230 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 -14.542 -5.795 -9.011 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 1.525 2.911 -0.022 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 -7.297 6.152 -2.154 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 -2.357 -8.068 -4.050 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 -2.361 -4.904 -1.843 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 11.336 9.593 -8.934 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 -13.259 -11.164 5.187 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 -5.000 -2.834 -0.681 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 2.025 -23.580 -15.427 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 -9.025 7.010 5.698 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 -2.125 7.375 -1.459 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 1.446 1.607 -2.539 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 -9.323 5.150 6.702 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 -3.928 4.008 0.260 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 8.657 -4.090 -5.693 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 -4.939 13.021 0.630 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 1.559 -0.674 0.120 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 13.981 -4.250 -2.154 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 -7.206 11.811 3.914 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 -2.677 1.367 3.026 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 19.706 -9.182 -23.559 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 0.827 -2.405 9.761 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 1.572 -7.723 -1.712 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 4.179 17.763 29.409 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 -4.886 0.385 15.045 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 2.833 6.184 4.395 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 -17.121 13.154 21.234 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 -0.504 21.065 16.074 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 -4.701 6.005 0.054 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 -13.169 -10.453 -3.381 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 -11.708 -8.715 -3.212 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 -3.538 0.864 -1.594 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 -5.573 5.612 -3.482 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 -0.381 -8.106 -5.801 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 -0.666 -1.434 -3.221 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 12.070 -25.695 11.031 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 14.532 11.686 -22.360 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 -1.449 -6.049 -3.231 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 -1.736 28.289 -3.590 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 -3.084 11.150 -2.499 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 2.979 -1.412 3.785 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 10.324 4.133 10.871 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 18.426 -11.257 13.761 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 0.388 2.141 1.633 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 -2.154 -18.999 -3.126 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 25.310 -6.927 2.701 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 1.581 -0.938 -0.019 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 17.284 -8.085 -4.543 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 -11.606 5.121 2.474 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 -0.745 -4.666 -0.182 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 3.914 -13.950 7.418 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 -4.820 -7.179 -2.628 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 -2.589 4.745 -1.136 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 -21.907 3.386 0.974 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 -0.686 2.702 -4.860 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 1.065 -0.314 -0.602 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 8.116 4.741 -12.243 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 10.818 -5.550 4.225 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 -1.446 3.554 1.545 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 -13.821 16.688 29.241 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 4.894 -14.864 1.775 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 -4.631 1.376 2.166 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 -13.906 0.895 -13.260 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 12.617 6.924 -13.047 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 2.861 -2.721 3.954 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 13.371 -7.986 -8.728 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 -1.180 -2.579 4.076 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 -0.634 2.210 4.103 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 8.210 -9.654 17.486 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 -5.637 10.285 -7.281 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 -4.574 -0.647 0.316 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 -16.612 3.969 -7.447 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 -4.818 1.997 -1.653 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 -4.238 -2.355 2.730 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 -5.452 -22.585 6.858 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 5.650 13.219 -18.064 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 -0.414 0.583 0.994 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 14.376 16.988 6.009 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 -21.025 -24.531 -6.385 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 4.823 1.891 0.555 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 5.669 1.947 -25.540 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 -2.153 23.213 -11.197 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 5.188 2.423 10.722 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 -0.665 18.674 4.896 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 15.086 -3.283 -3.144 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 0.168 0.453 1.750 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 12.723 -5.533 2.773 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 -14.036 7.120 0.713 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 -0.089 0.406 -6.474 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 -13.880 -20.182 -4.074 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 15.028 6.016 16.767 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 -6.072 3.068 -2.227 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 -23.513 23.345 21.382 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 -15.585 -32.436 -6.249 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 -2.216 8.285 -0.989 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 -3.286 21.707 -0.628 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 -3.562 6.189 -3.047 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 1.398 1.774 4.076 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 6.429 -20.896 -0.341 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 22.793 -15.705 -2.363 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 1.699 6.970 0.153 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 18.970 2.842 -4.862 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 -14.316 -21.844 13.381 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 -3.973 5.037 -5.792 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 27.036 23.763 10.408 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 -6.681 -7.439 1.100 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 -4.485 1.083 -1.115 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 -14.898 12.008 -2.395 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 4.892 -13.762 -1.533 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 0.664 2.098 0.645 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 0.165 4.033 -5.627 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 -13.511 -3.337 9.212 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 4.571 -1.777 2.436 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 4.155 -15.690 -27.474 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 -11.121 25.726 -11.591 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 2.010 0.992 -1.729 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 -4.877 -2.787 -42.095 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 -16.676 2.666 0.667 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 -6.508 2.977 -0.646 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 16.369 -8.734 -7.052 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 -14.225 6.841 2.560 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 -1.552 11.725 -7.170 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 21.128 20.018 31.678 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 -9.813 3.831 -8.807 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 4.604 -2.166 8.738 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 0.877 -8.677 -2.187 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 -8.390 -0.512 14.079 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 1.745 1.240 6.158 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 2.508 10.094 1.719 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 1.561 8.440 4.369 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 6.813 -3.078 -2.962 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 -3.979 5.752 -3.316 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 12.556 -12.704 -11.521 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 -6.609 -2.292 -0.245 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 26.093 -0.916 2.589 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 -5.243 25.229 -13.538 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 2.199 0.110 -4.757 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 -1.357 15.289 7.512 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 -10.646 1.964 -16.694 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 7.765 -2.119 -1.200 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 -6.282 2.825 -10.444 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 -0.583 -5.336 12.115 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 1.173 -7.541 -6.222 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 15.930 -12.012 -10.738 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 -1.961 -19.745 5.806 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 -0.509 0.484 0.812 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 1.868 2.073 -2.497 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 -8.382 -5.087 11.495 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 4.256 -4.581 6.989 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 27.672 -0.010 7.321 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 -1.451 -16.777 11.611 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 3.274 3.582 1.620 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 -10.111 -21.205 -2.384 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 21.993 19.533 -4.853 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 -0.352 -1.184 -2.637 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 -3.410 -4.568 -10.528 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 -8.085 -3.406 -23.052 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 4.804 -0.014 1.395 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 6.535 3.135 -4.369 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 -2.274 15.649 11.840 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 3.334 -3.139 0.016 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 7.879 26.054 -20.882 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 16.754 -18.318 -2.298 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 1.744 -2.897 0.415 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 -7.814 13.541 18.471 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 3.090 -1.599 -0.864 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 -3.746 6.003 4.882 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 -1.304 -3.861 10.732 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 -14.402 18.055 8.424 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 1.973 3.596 3.208 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 2.708 9.596 1.365 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 14.604 -32.023 10.319 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 -1.194 2.672 -3.985 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 -11.174 6.462 -11.728 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 -4.170 -7.424 1.818 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 4.992 -5.653 -3.105 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 -2.143 -6.371 8.644 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 2.829 0.350 -7.625 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 1.600 0.704 -7.762 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 3.952 -14.809 22.060 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 8.490 -17.251 -10.022 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 4.501 4.427 0.948 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 -4.308 3.335 -7.870 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 11.227 -1.586 -1.034 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 1.452 11.603 0.384 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 -6.676 22.685 13.482 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 5.367 0.798 -27.683 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 2.890 9.013 0.489 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 -11.349 15.506 3.879 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 -0.998 10.040 -1.724 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 0.980 0.624 5.168 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 -8.704 0.917 9.563 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 -19.364 -13.030 19.505 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 -8.007 0.135 0.276 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 -16.286 11.559 -17.849 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 1.949 -1.300 -6.153 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 2.205 1.499 -3.328 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 13.480 -0.931 -29.411 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 7.119 -11.027 -23.986 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 -0.985 -1.930 -0.587 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 -7.171 -8.810 -6.494 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 -11.272 -7.354 -12.035 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 2.910 -2.076 2.697 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 17.222 5.403 3.053 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 -15.148 -11.061 7.676 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 4.191 -0.813 1.407 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 7.167 7.713 16.042 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 -4.903 23.216 9.727 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 2.029 -6.147 1.551 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 -2.658 -5.360 -0.435 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 7.062 -9.511 4.190 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 -2.609 1.826 -1.097 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 -3.532 -2.740 0.227 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 -2.367 9.383 -5.957 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 -10.584 1.514 4.216 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 -17.056 0.032 7.897 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 -15.278 10.200 -0.598 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 -4.478 -2.077 -3.431 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 6.958 -9.876 -9.967 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 -5.889 -2.578 12.551 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 1.156 -4.825 1.732 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 1.697 -11.686 20.130 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 -0.111 -5.698 10.803 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 1.471 -2.895 -1.574 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 14.744 -0.925 -4.798 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 -12.806 -7.278 -4.665 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 -1.772 4.649 -3.049 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 -25.411 -0.181 -11.778 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 14.265 -11.322 -1.097 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 1.740 -2.374 1.176 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 -24.061 13.747 6.097 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 0.254 -8.592 -10.283 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 1.550 -0.978 0.279 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 13.710 4.810 13.410 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 -0.672 15.208 -9.346 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 6.182 -2.436 0.761 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 -3.519 -2.232 3.698 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 1.205 -2.560 13.464 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 -4.173 -0.645 6.132 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 14.783 -26.438 -12.892 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 -13.732 16.594 14.913 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 0.915 -4.838 0.798 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 2.823 -4.320 3.133 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 -1.381 -5.114 -0.418 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 -2.547 -1.110 1.900 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 -2.575 -1.364 0.853 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 -6.998 6.248 8.740 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 2.059 4.184 1.238 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 -9.668 4.392 -7.681 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 -2.330 7.802 16.017 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 9.311 -1.493 2.290 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 -2.642 -9.785 5.767 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 15.377 -3.386 -6.304 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 -1.051 1.472 2.200 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 -11.069 2.362 -3.668 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 3.151 9.660 -3.545 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 0.402 -7.110 7.170 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 10.316 -10.507 4.952 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 -2.596 -6.453 8.070 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 -4.835 -1.078 -4.653 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 -24.077 -31.828 15.783 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 15.551 7.906 6.598 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 1.003 4.323 -2.346 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 12.955 6.332 -3.442 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 -17.623 1.904 -1.833 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 -2.184 -5.980 4.544 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 -7.095 -5.162 13.489 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 -6.947 -2.150 4.778 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 1.595 -2.017 -5.689 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 17.539 3.448 -6.686 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 8.892 -10.099 -7.237 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 5.633 -1.252 8.220 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 4.656 -26.951 4.953 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 4.174 13.093 -15.527 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 -1.657 2.554 -0.402 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 0.289 0.644 -4.357 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 -6.425 7.638 8.446 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 2.007 1.172 2.346 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 2.993 1.524 2.969 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 0.257 0.052 0.284 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 5.742 1.377 -3.952 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 5.706 -1.311 -13.484 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 1.719 6.953 11.967 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 2.000 -1.563 2.749 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 6.453 7.007 2.544 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 0.777 4.971 -20.526 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 4.700 -5.363 4.773 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 6.551 -0.357 14.684 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 1.728 -5.670 -9.462 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 0.975 -1.972 2.277 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 -5.711 -1.582 1.840 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 2.483 4.271 3.268 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 6.318 4.727 -0.798 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 0.526 4.774 -4.428 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 5.978 3.768 -0.696 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 5.517 3.794 2.950 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 9.252 7.420 -1.692 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 10.313 -11.977 -10.584 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 2.635 5.340 4.879 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 5.992 -5.823 26.812 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 -0.111 -8.074 -18.007 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 10.678 -1.451 3.279 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 -10.281 -14.815 -5.067 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 -7.851 -9.714 0.008 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 -4.218 2.451 -2.296 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 2.123 6.734 -7.796 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 -12.603 4.521 -4.836 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 -5.696 2.486 -3.085 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 -5.726 2.017 -3.219 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 -14.605 -5.749 0.184 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 -4.458 -5.209 -0.817 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 -15.721 3.468 -9.394 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 12.835 -14.855 7.056 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 -0.550 5.499 -0.247 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 4.973 13.021 1.495 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 4.219 8.717 2.060 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 6.261 -2.087 -2.344 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 10.112 -15.712 -2.060 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 -6.161 5.295 4.971 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 3.828 1.683 0.504 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 10.907 3.912 -4.339 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 4.581 16.141 10.230 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 0.218 -3.180 -1.401 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 10.666 -5.591 10.568 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 -11.024 1.254 -3.056 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 -0.618 4.139 -7.088 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 0.605 22.869 5.043 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 -10.056 3.765 -1.954 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 -6.103 -0.022 7.018 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 -8.602 -2.865 1.571 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 1.442 0.688 6.411 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 2.652 1.468 1.362 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 -8.359 -29.951 1.170 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 4.225 20.472 -19.290 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 1.781 -0.874 0.348 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 -6.194 4.340 -8.063 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 7.165 -11.998 0.197 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 -2.325 9.092 -0.584 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 1.806 2.815 2.174 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 -22.780 27.169 -14.324 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 3.989 0.391 2.069 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 15.374 -15.495 -4.040 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 -8.412 11.201 -5.730 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 -1.848 2.020 2.706 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 1.527 9.216 -29.228 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 -2.534 9.980 11.889 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 2.092 2.298 4.330 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 -19.458 16.249 3.061 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 -2.865 -35.833 9.799 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 4.522 -5.117 6.014 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 4.301 2.639 4.056 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 7.017 -0.341 2.647 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 1.957 2.620 1.507 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 -7.433 4.636 0.439 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 3.038 1.234 11.462 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 -0.372 1.611 -2.384 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 2.485 -28.060 -15.625 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 -1.489 15.859 6.463 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 -1.505 0.463 -6.789 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 -1.137 12.863 -6.681 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 -10.883 -10.358 10.256 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 -6.455 -4.425 -2.009 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 -4.242 -7.077 -4.609 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 -16.102 4.875 8.962 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 0.883 -0.077 0.881 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 4.284 -1.288 -7.243 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 -7.115 -3.565 -2.785 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 4.187 -0.056 -0.887 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 -0.748 -0.315 4.389 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 26.567 10.147 -9.883 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 -0.651 3.432 -4.981 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 -17.006 7.844 -12.706 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 -2.316 12.805 -1.776 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 -6.992 -4.911 -5.290 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 -4.011 -20.024 11.985 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 2.221 0.808 16.734 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 -6.425 1.341 6.338 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 -25.364 0.483 -8.969 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 5.833 -8.115 -8.065 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 -3.231 2.599 1.437 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 13.547 -1.374 -14.138 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 -15.590 5.450 11.370 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 4.296 3.334 -6.418 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 18.440 -1.624 18.914 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 -8.156 1.056 -5.097 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 5.844 6.087 -3.094 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 -10.505 4.747 -3.289 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 -22.380 5.094 -4.333 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 -5.500 4.901 -2.588 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 4.943 15.146 4.711 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 -6.712 -2.848 9.349 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 -3.106 4.418 -3.401 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 6.053 -24.342 -1.996 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 -0.891 22.274 20.566 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 -1.805 -0.282 0.594 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 -4.374 9.134 -3.154 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 -1.174 4.182 -1.980 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 -0.485 -3.635 -2.304 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 -23.766 12.270 17.116 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 5.338 -8.525 14.598 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 3.696 -0.330 -0.662 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 23.039 -2.007 3.317 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 6.491 6.083 7.521 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 7.820 -2.937 -1.628 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 4.369 34.087 14.269 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 -6.853 -10.223 -1.662 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 -1.908 -4.755 0.935 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 15.974 18.923 -6.843 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 -2.836 -8.979 -13.240 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 0.600 -5.589 -3.027 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 -4.135 -4.601 -7.470 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 3.119 -13.222 2.218 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 4.562 3.727 -4.828 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 17.739 -4.335 -11.817 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 19.193 -4.875 -13.715 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 0.285 -1.764 4.354 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 -4.520 -13.377 -2.359 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 -6.789 -15.563 16.742 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 5.116 3.707 0.407 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 -14.781 20.715 -15.966 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 27.010 -6.562 8.653 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 -7.892 -3.123 3.005 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 8.596 -28.590 -2.530 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 -28.519 1.819 -12.688 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 -1.181 -0.473 -8.283 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 -2.821 -6.317 0.837 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 0.200 -4.519 2.819 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 -7.851 -3.633 1.107 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 -13.876 17.171 11.579 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 -19.384 -12.057 -12.638 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 -6.954 -2.598 -5.158 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 7.125 -12.241 -20.751 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 11.251 -0.015 28.546 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 -7.894 -4.338 1.649 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 -10.284 -7.411 -3.020 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 -12.303 -6.676 -3.602 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 1.832 -1.480 4.294 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 2.396 12.617 12.211 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 -3.216 -7.804 12.794 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 -0.748 -5.417 -2.682 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 -13.124 14.018 -18.227 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 -3.291 -0.378 -6.944 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 1.123 -3.201 -3.412 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 -3.454 -23.989 13.513 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 -1.814 -15.787 8.838 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 -2.862 1.440 2.344 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 -39.997 0.998 21.773 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 -5.571 0.952 12.503 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 2.582 2.341 0.180 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 4.193 11.029 5.370 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 12.197 -2.678 -2.139 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 1.486 1.388 7.085 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 -2.225 -18.938 3.282 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 2.672 -6.067 7.745 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 -7.276 -3.812 -3.895 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 1.520 -3.593 3.702 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 1.674 3.445 -1.199 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 6.076 -2.045 0.419 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 7.763 -2.302 -17.482 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 3.856 -1.142 11.761 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 -0.809 0.420 1.075 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 0.725 -1.622 -5.103 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 -8.496 10.029 0.218 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 -8.040 0.055 -3.229 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 13.700 -31.596 1.867 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 11.278 29.699 20.848 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 0.461 -1.285 -2.883 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 2.613 4.580 -10.305 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 -8.520 -7.621 4.285 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 -9.082 6.402 -2.127 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 13.067 14.076 2.362 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 -18.647 -0.599 -18.967 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 -5.659 1.040 -1.907 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 -15.039 -11.023 -0.664 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 -1.819 5.186 12.934 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 -2.638 4.171 6.403 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 -5.282 8.169 10.333 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 -0.593 0.183 10.002 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 2.228 -7.780 1.701 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 8.500 4.194 10.362 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 -6.564 3.559 6.963 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 -4.080 2.332 5.389 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 -1.301 3.263 -13.365 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 -7.128 1.532 1.006 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 -1.111 5.684 -1.358 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 3.373 5.119 -29.333 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 8.206 -6.412 -6.965 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 3.979 6.368 3.812 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 -15.681 1.612 -6.901 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 12.481 -15.335 5.728 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 -4.228 2.780 2.024 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 -4.733 -6.238 -5.779 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 -11.499 3.029 6.834 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 5.015 0.591 -2.330 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 -25.683 -5.638 2.520 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 -17.077 7.715 -1.695 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 -2.826 -0.571 0.675 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 -15.725 -0.339 -0.272 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 0.234 10.410 2.855 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 7.640 7.960 -3.904 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 -6.852 -9.979 -8.048 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 14.448 26.313 -21.845 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 1.150 1.575 5.476 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 1.224 -1.776 3.531 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 -9.335 1.235 -12.249 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 -8.488 4.925 -0.504 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 8.314 -5.039 22.466 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 -21.574 8.184 -18.158 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 5.502 -2.336 -0.621 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 -3.426 6.408 9.530 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 -3.844 -2.248 -28.002 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 -4.205 2.370 0.273 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 9.211 28.720 -2.000 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 7.725 16.257 6.210 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 -6.489 -1.489 -0.210 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 1.933 -8.119 -1.878 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 -0.021 5.573 -10.606 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 0.276 1.653 1.184 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 4.220 -19.182 1.554 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 4.778 -8.207 -5.510 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 1.845 1.968 -2.519 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 19.312 -2.085 8.632 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 -3.471 -2.042 16.957 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 -2.400 -3.471 -6.709 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 -4.011 21.765 -6.408 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 -18.722 -7.194 14.814 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 0.495 0.387 -0.378 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 -19.116 1.501 1.510 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 16.574 -3.386 17.331 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 1.116 -6.716 3.955 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 -1.814 1.428 -3.436 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 -15.190 -10.434 2.586 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 -2.112 -0.604 -4.964 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 7.998 12.995 7.367 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 -7.055 -8.631 -8.088 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 -3.715 -2.540 3.359 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 2.741 2.068 10.839 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 2.188 -6.396 -10.458 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 -0.847 1.175 -1.026 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 -7.734 -4.760 -15.112 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 -0.289 22.479 -1.454 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 0.209 3.773 0.061 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 2.574 6.496 -0.542 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 5.600 7.940 17.301 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 2.424 8.415 1.455 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 6.325 0.058 14.420 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 0.133 -9.960 28.024 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 2.219 0.804 -0.274 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 -6.401 9.516 -2.010 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 14.468 -4.858 -10.266 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 -6.687 -4.027 3.277 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 -8.882 -7.543 5.176 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 -0.349 0.834 2.787 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 1.264 1.965 0.120 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 0.664 3.070 -4.272 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 3.150 1.752 -1.538 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 -2.010 0.181 0.415 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 -25.206 -7.023 3.170 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 25.869 6.653 -3.795 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 -2.780 4.961 2.474 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 19.877 17.956 -9.173 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 17.733 9.439 -10.786 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 3.478 2.478 -9.054 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 3.269 -3.526 -10.115 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 0.530 -1.072 2.499 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 3.168 2.180 3.978 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 8.277 1.693 -2.327 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 -10.709 -1.073 -0.611 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 -4.765 2.516 2.634 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 -8.890 -7.841 7.220 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 0.986 7.440 12.251 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 -3.379 1.235 -7.948 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 0.795 -0.268 -11.997 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 1.966 -7.590 -6.691 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 -8.694 -5.090 -4.441 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 -21.021 -0.755 31.234 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 -16.827 -8.622 13.380 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 -4.767 0.437 0.269 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 7.926 -6.992 -12.900 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 -5.927 -1.469 -8.070 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 3.809 8.634 -5.449 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 -4.639 5.374 -11.562 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 7.794 8.895 5.962 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 -1.349 -7.815 -3.194 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 10.388 -7.589 -3.559 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 -8.117 -12.669 5.314 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 -4.589 1.705 -2.110 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 -19.680 -26.905 16.911 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 16.915 6.913 -4.728 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 0.635 4.912 -1.194 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 -0.425 2.032 -11.047 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 20.239 -9.540 37.041 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 3.376 2.269 -9.955 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 3.168 4.812 -5.059 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 3.322 -2.200 -17.559 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 -2.970 0.575 -5.644 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 0.349 -8.188 5.296 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 1.301 -21.453 6.603 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 -1.419 -3.138 -0.515 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 -13.513 -18.424 -7.086 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 3.920 2.179 22.590 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 0.936 1.067 1.280 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 -22.550 -8.158 27.692 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 -8.995 -4.895 -13.520 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 -2.412 -0.844 2.876 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 -9.424 -2.357 2.290 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 -2.384 2.443 -2.860 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 11.156 -1.206 3.381 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 2.637 -3.610 4.371 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 -8.129 -9.149 -13.534 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 -2.581 -4.913 -1.792 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 -6.388 -17.588 6.964 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 18.674 -8.167 5.214 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 2.135 -1.839 0.192 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 -14.262 3.607 -21.294 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 -7.095 6.086 -5.437 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 -6.476 -3.607 0.303 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 2.856 18.770 -4.054 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 -9.615 -30.839 5.042 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 -3.665 2.081 6.943 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 4.816 23.352 5.786 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 -20.890 -2.654 -5.538 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 -0.488 4.661 -8.541 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 -10.220 -7.182 -3.208 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 9.735 -4.047 -17.662 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 6.444 4.557 -3.685 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 8.152 6.347 2.756 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 9.692 7.503 6.077 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 0.754 -0.640 2.959 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 35.841 -7.623 -4.091 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 -30.566 -14.607 1.958 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 0.732 -1.015 1.188 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 4.887 -18.100 -0.386 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 -2.088 -1.554 -3.681 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 4.980 3.039 -0.239 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 -22.204 0.043 17.061 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 18.337 11.889 -5.498 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 9.669 -3.152 4.086 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 1.403 1.262 3.048 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 -10.861 -9.960 -6.111 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 -5.957 6.937 -3.123 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 -11.598 6.260 0.110 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 -8.279 19.562 -3.833 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 -4.479 -12.101 -2.286 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 14.539 13.747 9.679 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 7.829 9.023 3.810 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 1.505 -5.784 0.618 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 -18.502 12.581 12.226 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 -24.472 -1.088 -29.455 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 -0.831 4.662 -3.671 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 -0.121 -13.684 1.140 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 -0.729 -4.221 -16.351 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 -5.561 -2.012 -0.962 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 -15.934 -11.191 -19.056 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 -20.876 -0.022 -8.274 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 1.284 0.764 -8.153 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 9.273 3.344 -14.556 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 -14.748 -6.220 -10.331 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 -2.017 -0.957 -9.227 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 -4.442 2.362 -12.800 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 -1.566 -0.375 -1.264 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 -2.816 0.174 -2.455 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 -13.218 5.101 1.732 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 -5.632 -6.383 12.937 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 7.757 2.048 -1.802 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 17.330 5.748 1.240 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 -1.273 -3.053 0.500 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 -4.204 3.514 -1.495 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 9.363 2.480 -3.116 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 -4.316 1.059 -5.903 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 -3.528 7.588 -4.878 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 -0.133 12.360 8.119 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 15.946 -0.247 7.490 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 -0.916 -7.124 -7.166 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 0.544 3.306 -0.097 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 -3.333 -9.019 -3.455 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 -2.854 -0.469 -0.478 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 -14.073 -4.109 -4.386 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 -4.728 0.926 -6.714 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 3.808 -0.751 -3.097 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 -6.874 10.820 -13.443 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 0.915 -7.379 -18.812 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 0.090 0.901 0.155 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 3.208 -3.579 2.361 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 10.754 -11.882 -14.102 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 6.253 -4.600 1.978 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 5.833 4.654 2.722 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 26.810 -0.996 -5.312 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 1.485 1.106 -7.904 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 -3.027 -5.212 -17.573 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 28.928 19.406 4.488 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 0.700 0.140 3.122 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 -9.282 1.328 4.223 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 20.596 -19.366 5.521 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 1.782 -3.752 2.975 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 11.391 8.201 5.219 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 -20.116 14.517 -0.061 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 2.841 8.475 -4.568 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 2.531 8.063 -4.170 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 6.851 -2.906 -13.556 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 3.279 3.960 -1.680 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 -0.110 -19.234 -6.502 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 1.038 14.682 4.185 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 2.765 -3.809 -1.883 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 -3.539 -12.362 -3.731 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 -2.717 3.176 -6.522 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 1.416 3.184 2.008 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 6.167 -19.000 14.939 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 -5.018 4.956 -25.261 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 0.404 -0.811 -1.437 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 5.597 3.151 -0.223 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 2.300 6.472 -12.112 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 2.997 -3.098 6.216 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 6.267 -15.496 -7.712 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 14.304 -6.215 19.684 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 0.512 9.390 -0.952 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 -5.125 15.608 -10.325 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 3.437 14.365 -0.307 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 5.322 -1.822 -5.295 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 2.893 -3.514 3.390 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 6.272 1.143 -10.720 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 4.374 5.131 2.924 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 31.382 17.187 9.233 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 15.835 -29.023 -11.918 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 -0.810 -1.347 -7.133 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 -4.306 -4.417 -26.293 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 18.433 17.485 7.202 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 -4.658 3.113 -0.196 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 -14.459 -2.671 5.298 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 13.344 5.713 0.790 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 -3.368 -0.354 -3.739 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 -24.981 -1.537 -1.523 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 3.231 19.038 -14.275 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 4.408 -3.234 -3.676 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 -4.523 -7.103 -5.272 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 12.700 -7.975 -7.527 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 -4.572 -6.355 0.536 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 -3.805 -1.446 -4.353 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 -1.991 -10.313 5.894 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 7.708 7.048 6.474 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 8.088 2.561 -3.366 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 7.575 5.089 -1.050 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 -2.147 -3.717 -9.119 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 -0.820 1.333 -10.694 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 -3.230 -14.007 2.917 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 -4.393 7.027 0.675 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 0.245 4.501 -6.091 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 -18.154 -0.345 12.980 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 3.850 2.265 -0.999 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 -1.483 -18.229 19.045 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 7.796 0.749 -7.025 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 -3.377 2.442 4.470 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 -8.154 33.692 4.255 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 20.673 -1.183 -2.538 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 0.804 -1.164 -0.505 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 20.276 6.991 -13.851 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 15.844 0.015 -14.529 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 4.084 2.134 1.980 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 -31.664 -4.613 -7.011 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 -18.327 -10.382 5.742 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 0.937 2.403 6.350 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 -3.024 -4.303 -6.279 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 -7.306 -19.258 5.728 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 -0.223 1.661 2.158 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 17.247 5.370 -10.677 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 -3.624 8.461 -24.376 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 4.214 3.282 -3.689 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 -22.338 7.341 28.410 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 -3.705 9.375 12.927 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 0.856 -2.661 -2.108 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 -1.491 -3.767 -0.720 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 -18.859 -0.877 12.400 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 -2.533 -0.063 3.374 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 7.906 -21.065 10.197 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 8.990 6.321 -18.784 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 2.835 -3.382 2.572 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 7.582 7.139 -3.568 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 13.133 -3.847 13.615 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 -1.047 -5.950 -0.626 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 10.244 -16.631 20.224 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 10.176 -7.358 10.212 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 -0.510 1.058 -2.355 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 -3.398 -12.693 -8.017 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 1.269 -15.156 -9.690 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 -0.308 2.727 6.113 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 -21.666 12.732 -9.298 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 -3.285 0.677 12.339 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 0.120 -4.784 2.091 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 22.905 -5.087 -8.095 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 2.123 -7.642 3.969 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 -0.129 1.605 -5.124 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 10.790 0.846 -10.282 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 -2.072 -7.184 -13.574 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 1.347 1.309 -2.633 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 -11.866 22.198 -5.833 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 8.940 -1.923 12.641 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 3.797 2.266 -7.312 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 7.066 -5.799 -13.275 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 2.035 12.210 2.261 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 8.648 3.420 1.569 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 10.357 25.353 -10.890 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 -0.107 29.700 11.142 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 -0.581 5.699 -0.451 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 6.885 -20.234 -9.495 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 1.079 8.757 1.384 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 5.443 5.408 6.753 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 20.776 6.658 1.607 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 -3.353 28.108 12.714 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 -1.861 -2.863 1.591 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 -6.596 -0.309 -0.035 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 17.468 -11.139 1.715 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 2.254 2.405 -1.786 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 13.239 13.014 -8.657 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 11.684 -8.267 -5.331 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 -0.046 -1.456 -5.010 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 -6.169 -17.403 -10.305 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 -0.809 -4.309 -7.413 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 -5.129 1.614 6.503 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 -19.360 -1.189 1.476 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 -11.787 -14.137 8.856 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 -3.731 2.122 1.882 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 -9.875 -0.464 -14.422 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 24.866 -15.432 18.583 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 1.025 -0.083 -4.286 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 1.432 6.119 7.929 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 6.381 -19.711 -7.641 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 5.385 -5.132 -4.247 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 11.337 -11.354 -4.440 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 3.654 -6.519 7.563 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 -7.486 6.854 1.226 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 -5.349 10.506 3.698 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 -12.959 6.569 24.422 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 6.109 -0.304 -10.557 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 5.529 8.777 6.482 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 -11.849 47.762 10.928 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 -2.448 -3.687 -6.358 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 8.496 -1.153 -1.703 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 -7.210 -1.900 -4.558 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 -2.667 -2.777 4.591 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 5.814 -7.027 10.216 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 0.268 -1.337 -6.998 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 -1.383 -6.553 0.056 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 -5.977 8.390 -9.095 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 -7.081 15.624 3.152 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 4.021 -1.696 -6.841 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 -1.508 13.050 -2.514 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 29.271 -7.075 -10.813 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 1.457 0.820 0.882 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 1.020 12.775 -3.718 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 -0.100 -13.988 -10.918 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 -2.205 -6.294 3.768 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 -7.055 -22.997 10.904 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 0.539 -7.199 -26.496 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 -0.717 1.243 4.031 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 8.270 16.126 27.729 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 -12.613 -5.796 -17.199 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 0.335 -3.703 5.523 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 -6.043 -17.120 22.777 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 -14.331 -5.556 -10.741 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 6.296 1.098 2.170 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 23.690 -10.673 1.962 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 3.723 5.127 14.495 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 0.716 -5.629 -1.723 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 -0.851 -10.870 -9.205 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 9.031 -7.313 -1.532 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 1.905 1.505 6.604 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 0.086 -8.183 10.193 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 -2.653 -15.013 13.365 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 1.077 -1.941 3.464 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 -29.505 11.229 15.793 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 12.271 -24.962 7.530 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 1.941 -9.210 -2.508 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 -30.425 2.362 -10.961 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 -4.435 5.165 -3.328 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 -3.116 0.702 0.950 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 11.710 -23.792 13.348 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 -2.683 14.889 -0.936 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 -0.201 3.025 -0.591 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 -6.759 8.939 0.368 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 0.584 0.394 -0.425 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 0.421 -0.479 4.430 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 -4.632 -0.833 4.562 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 15.557 5.555 13.879 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 -6.045 -5.382 3.078 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 28.239 -18.059 -6.015 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 19.457 -21.730 -6.452 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 1.394 -1.785 3.069 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 14.169 -40.145 -9.307 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 -18.826 14.036 -9.001 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 1.442 -1.345 2.834 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 26.877 -11.846 15.514 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 22.797 -3.533 19.293 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 -0.246 -1.413 -4.996 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 9.080 -18.253 16.704 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 5.276 -11.564 9.992 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 2.846 -3.592 -0.963 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 -4.524 9.607 2.862 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 0.323 -4.669 -16.477 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 3.567 -0.138 1.927 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 18.750 -14.898 -17.386 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 8.961 -3.955 -6.558 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 2.097 1.436 -3.197 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 19.808 -23.895 5.034 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 -8.801 -16.945 34.831 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 3.366 4.419 1.981 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 -3.544 18.294 12.627 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 -19.177 -2.379 -23.133 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 1.592 -2.778 -3.757 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 -1.221 4.887 -1.229 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 10.439 -8.949 -7.893 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 1.326 -0.418 0.280 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 -8.768 13.465 6.877 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 3.955 -11.230 -1.423 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 4.178 -0.666 4.860 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 -4.435 -5.220 5.754 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 8.107 -4.071 4.411 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 1.542 -2.130 1.679 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 -2.456 13.926 26.518 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 -8.362 4.179 -4.262 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 -4.329 2.969 4.295 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 3.572 -10.362 -12.621 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 -3.490 -4.440 -8.487 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 1.718 -3.507 -7.285 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 -7.558 7.798 -7.154 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 -8.673 -9.694 -8.361 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 -4.628 0.855 -2.170 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 21.220 17.706 -8.033 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 8.879 -18.615 -1.935 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 3.834 -5.286 -4.689 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 27.613 -5.924 -2.954 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 -7.701 7.353 -10.058 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 -4.447 8.410 -5.088 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 2.282 5.132 11.774 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 21.674 8.554 -6.964 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 -4.924 1.159 0.749 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 19.953 -10.426 11.981 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 1.488 12.198 -20.902 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 -1.866 4.197 5.066 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 -21.310 3.440 19.272 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 2.189 -1.611 5.750 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 -0.416 -0.711 -6.389 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 -2.695 -4.857 -10.279 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 -2.191 -4.504 -9.372 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 3.557 7.832 4.638 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 14.533 12.757 6.370 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 -13.006 6.433 -19.187 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 1.673 0.776 -0.339 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 -1.646 -12.682 -12.236 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 -1.137 -23.534 7.729 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 1.984 -2.771 0.693 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 4.890 4.828 -0.663 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 7.027 1.007 2.904 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 -4.867 -5.775 -0.024 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 -4.733 -4.269 3.244 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 9.880 -0.450 8.571 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 0.990 6.144 2.573 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 -21.979 2.255 12.636 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 12.113 6.748 -1.050 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 1.156 -0.329 -5.740 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 -5.947 2.905 -5.254 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 5.483 -12.342 -26.709 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 3.689 -3.819 4.312 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 1.585 -3.679 -2.288 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 5.425 -7.147 2.025 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 2.780 -4.208 -0.641 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 -22.938 29.346 -16.144 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 3.126 -6.733 2.805 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 -4.961 -1.636 4.508 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 -10.894 3.326 -9.326 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 -3.079 10.673 21.497 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 -4.840 -1.106 2.479 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 -26.319 -10.666 -6.701 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 9.496 -5.893 -6.917 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 2.106 -0.517 1.346 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 15.288 6.278 -6.904 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 -20.040 4.263 -8.293 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 2.521 2.697 -4.908 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 7.144 11.622 -1.047 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 -4.282 12.956 -5.664 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 -2.729 3.727 -0.372 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 -3.213 4.914 -5.551 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 -4.873 4.051 5.565 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 2.798 -2.621 1.253 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 -12.727 7.946 4.250 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 10.533 11.029 -9.729 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 3.573 3.470 -0.924 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 -4.318 8.227 -3.090 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 31.714 17.625 14.810 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 4.343 -2.623 3.618 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 4.567 2.793 7.007 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 0.816 -2.438 -0.946 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 -2.618 1.957 -2.550 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 -16.970 22.016 7.100 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 -5.314 -2.676 -6.630 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 -3.119 -2.768 1.907 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 -24.193 4.656 14.854 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 0.269 19.343 -13.337 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 13.442 4.242 -3.946 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 10.670 8.996 -5.379 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 14.407 5.387 -0.658 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 5.100 1.431 1.486 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 22.420 -10.348 -0.109 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 11.568 15.066 11.699 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 -2.862 2.773 -1.766 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 24.146 1.334 -3.489 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 4.537 -0.756 10.097 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 -3.792 -1.756 -7.106 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 2.487 2.025 -6.024 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 9.928 7.215 1.846 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 -2.167 0.886 -2.828 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 -8.287 -10.773 10.866 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 4.706 -5.702 -6.778 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 0.907 1.726 -3.697 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 3.523 -0.763 -1.983 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 16.923 4.980 -0.918 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 6.352 -0.995 3.201 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 6.198 -4.970 1.382 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 17.924 -0.408 -8.633 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 -7.411 -4.794 -5.493 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 -4.708 -1.764 3.802 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 -1.705 3.240 7.132 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 -8.155 0.748 4.997 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 -26.429 -9.502 -3.233 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 -4.087 15.879 -3.431 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 5.193 3.407 2.245 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 5.977 2.677 -0.294 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 2.258 5.097 11.871 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 3.203 1.584 -5.929 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 5.104 10.225 -3.109 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 -14.883 -7.910 14.625 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 2.864 0.507 -0.046 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 -7.618 -24.148 -5.988 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 -9.732 -37.440 -12.211 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 -0.607 -5.583 -2.581 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 10.078 -11.490 -6.403 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 -6.446 17.017 7.566 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 -2.998 1.645 -3.388 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 -16.446 21.244 -5.217 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 3.631 1.763 2.623 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 -3.285 -2.288 -2.952 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 -16.232 -8.374 0.567 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 3.876 -1.807 9.484 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 -3.997 -2.312 -1.470 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 -3.583 -13.684 -1.362 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 7.517 -1.018 0.382 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 1.317 0.271 4.924 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 -2.888 -2.420 9.476 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 -2.760 -8.303 11.055 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 0.144 -1.409 -6.417 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 -13.479 -16.070 -14.099 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 -2.679 -1.851 -3.781 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 -5.443 1.422 -0.940 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 -4.376 2.855 -12.779 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 -9.758 14.290 -6.240 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 -6.976 6.805 2.378 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 9.087 -3.482 -6.205 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 -9.781 -6.547 -1.761 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 0.634 -0.726 2.331 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 -5.937 22.122 3.489 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 -23.378 -14.296 -6.557 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 2.099 1.576 -0.950 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 5.512 9.195 -3.277 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 6.427 11.442 -4.161 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 0.030 4.561 0.575 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 14.619 3.068 -15.527 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 16.127 17.323 -8.340 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 1.929 4.300 -0.717 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 8.191 -9.938 12.240 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 8.288 -10.055 -1.983 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 -3.961 0.111 -2.549 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 -17.169 -9.410 12.377 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 -12.349 0.079 2.324 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 -0.049 -5.100 1.583 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 5.893 0.246 9.125 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 -1.740 -7.255 2.244 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 -6.503 -0.700 -2.105 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 -0.092 3.220 1.355 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 -10.966 0.873 11.399 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 -3.423 3.570 3.072 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 -7.911 14.970 22.152 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 20.119 -4.800 4.309 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 -4.473 -2.996 9.598 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 0.759 22.256 -21.449 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 -4.855 -3.821 8.863 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 8.217 -4.333 -2.419 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 -12.601 10.537 -29.222 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 -3.520 27.424 9.732 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 -0.152 1.905 -4.115 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 -12.859 -7.188 -22.001 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 -1.153 1.699 -6.969 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 1.809 -2.383 3.049 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 5.705 8.915 35.096 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 1.668 1.333 8.904 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 -1.281 -1.855 -0.952 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 -3.886 7.947 5.568 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 -6.854 9.579 5.296 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 0.064 -5.073 1.208 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 7.436 -13.113 -2.483 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 -12.585 -5.020 -0.347 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 6.917 2.879 -6.813 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 -31.310 9.291 -27.790 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 13.158 14.261 14.535 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 1.533 5.822 2.043 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 8.073 14.274 3.280 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 -12.567 -6.121 -2.423 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 2.380 -0.165 -2.024 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 3.966 0.848 2.777 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 0.033 0.015 -10.342 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 -0.424 -0.382 -1.433 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 -1.648 0.898 -0.890 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 -8.170 -4.707 -17.587 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 1.506 4.388 -4.472 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 12.204 -12.629 -13.516 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 -5.369 21.335 1.933 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 5.874 0.120 4.229 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 0.075 -2.269 -2.024 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 2.521 -9.240 -1.077 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 -0.206 1.207 -4.108 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 -0.058 0.840 -28.345 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 -4.419 -7.811 -8.875 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 3.818 -0.218 4.050 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 -12.500 -25.013 -0.264 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 -15.778 -28.938 -4.039 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 -1.336 -1.168 0.566 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 12.801 4.009 1.049 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 -1.755 14.215 -8.096 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 -1.980 -5.681 4.264 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 -3.783 -1.879 8.965 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 -7.752 -2.033 2.799 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 -0.066 -9.102 1.447 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 32.020 -1.860 11.736 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 -0.445 -0.708 -33.246 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 4.440 -0.962 2.645 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 17.842 -7.038 5.898 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 -6.155 2.332 -2.770 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 0.482 2.216 -7.107 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 7.294 -0.348 -7.610 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 -14.357 13.230 -11.591 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 -3.174 0.319 1.543 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 -19.235 5.722 0.492 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 4.895 9.074 -2.341 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 -6.421 -0.073 2.467 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 15.585 -5.377 -5.872 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 0.655 7.640 17.651 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 -0.970 -0.223 7.131 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 -0.744 5.055 7.901 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 -4.813 -2.295 6.004 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 5.369 -0.918 -4.712 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 17.154 0.632 -0.570 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 -7.132 -2.982 -0.324 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 -1.668 1.321 -2.550 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 -20.287 20.238 -22.109 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 -8.814 -0.094 11.590 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 3.410 3.286 6.153 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 3.967 5.301 -11.932 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 13.596 -5.445 -23.614 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 -2.108 5.891 -3.533 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 -3.002 4.002 1.761 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -8.739 1.563 -10.427 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 5.833 -4.796 -1.940 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 19.409 3.785 5.817 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 -3.840 -9.720 -22.377 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 -4.145 -1.420 -4.145 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 -3.850 15.636 6.165 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 -1.153 4.640 -24.564 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 -5.425 2.204 1.863 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 14.880 -0.690 -18.069 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 -17.451 8.167 13.837 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 3.803 1.638 2.913 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 4.440 -0.821 2.928 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 -1.321 25.754 -11.624 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 0.868 0.371 0.957 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 -6.268 8.865 -3.737 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 10.153 -14.983 3.495 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 -0.484 1.735 3.417 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 15.001 5.949 14.126 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 -1.463 -12.147 6.205 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 5.172 -1.938 5.514 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 1.037 1.536 13.481 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 7.856 -3.003 0.849 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 1.991 0.036 1.786 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 13.003 -6.884 -6.631 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 10.530 3.723 -2.219 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 -0.930 -0.551 -2.207 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 -0.765 35.527 1.415 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 -7.781 0.007 -4.011 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 -2.320 -4.182 1.129 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 -2.888 -4.677 5.965 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 -4.152 -6.018 7.068 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 -4.907 -1.474 3.860 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 -2.456 -2.718 -5.573 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 -1.183 2.408 4.844 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 -1.126 0.612 2.616 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 3.223 6.973 -4.934 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 -10.194 6.939 7.555 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 7.582 -1.496 -2.902 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 8.717 -16.757 0.538 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 4.563 10.318 -7.036 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 -0.902 8.240 -1.593 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 -2.656 3.204 15.451 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 24.201 2.179 0.299 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 -8.154 -6.696 -3.384 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 -9.602 2.874 5.280 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 11.744 -1.833 -8.627 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 -4.161 -4.388 -5.164 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 14.538 -2.708 -10.011 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 -1.827 4.186 -11.240 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 -1.313 6.737 6.041 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 -11.310 14.372 -1.934 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 -9.201 9.478 5.466 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 1.207 1.510 1.077 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 -9.258 10.325 13.992 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 -0.276 -17.920 6.219 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 1.845 0.694 4.800 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 -4.518 15.296 11.950 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 -14.217 -1.472 9.609 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 0.664 -2.572 -2.998 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 5.078 -8.660 -0.004 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 7.625 -7.018 0.597 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 -0.606 1.837 -2.347 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 32.374 24.572 7.408 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 6.132 3.503 13.820 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 4.806 -6.729 -2.715 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 13.730 0.275 7.031 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 3.441 -27.170 -20.357 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 3.058 6.296 -0.436 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 4.490 2.337 8.346 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 6.865 -4.706 33.616 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 -5.388 9.115 -4.391 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 -1.271 -4.316 -8.578 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 5.070 9.253 -7.020 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 0.033 -0.726 -1.795 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 14.392 6.918 -16.058 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 1.884 3.496 -5.295 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 4.324 0.509 6.995 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 8.747 -8.253 5.858 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 7.930 16.783 10.742 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 0.844 3.116 1.604 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 -0.900 41.395 -4.532 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 -9.017 4.362 -0.856 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 -7.863 6.250 2.264 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 -8.911 -0.098 -15.025 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 13.367 7.212 8.404 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 -3.377 -6.112 -3.175 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 1.108 1.725 -12.625 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 -3.371 4.277 8.021 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 1.758 5.034 -0.117 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 21.060 -0.906 -15.756 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 12.789 1.472 -9.266 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 4.013 -1.633 -0.076 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 2.002 6.434 -2.374 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 -4.660 3.584 16.679 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 -2.443 2.893 1.252 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 16.729 -3.280 -5.067 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 25.223 25.777 -4.940 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 -5.893 -3.664 -2.445 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 4.355 14.900 7.604 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 -3.755 5.874 -11.650 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 5.031 -9.411 -2.558 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 7.203 -13.205 -3.442 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 -4.012 -11.536 -4.227 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 -1.086 0.935 -3.876 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 -4.637 1.718 -0.364 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 3.184 -2.348 -10.906 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 3.738 6.092 1.751 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 4.855 -0.006 -9.429 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 14.249 -2.036 5.153 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 -3.947 3.672 -2.714 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 -3.122 7.524 -4.886 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 -17.205 -7.337 -1.884 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 6.554 -6.538 -1.726 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 9.826 -34.883 -5.872 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 -11.049 -8.023 18.342 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 -2.141 2.239 -1.661 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 -11.648 0.485 -3.548 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 -3.506 7.313 -11.375 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 -1.803 -0.276 -3.602 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 0.948 15.347 -17.609 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 -5.094 -18.240 -6.847 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 -0.758 -3.393 1.639 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 -0.391 -10.311 11.372 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 -4.478 -15.500 25.302 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 -3.351 -0.857 -2.463 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 0.003 -4.428 10.519 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 -10.802 -4.488 4.092 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 -1.350 1.647 6.563 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 11.434 -9.647 -16.560 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 -0.834 13.689 5.917 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 6.624 -2.503 -5.773 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 -5.904 13.433 1.188 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 6.477 -18.951 10.168 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 2.986 2.567 -3.353 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 -0.361 1.417 4.733 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 4.582 3.045 -5.430 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 8.630 -1.512 0.389 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 10.725 -1.975 -2.427 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 -2.090 0.817 -3.508 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 -4.313 4.015 -0.312 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 -18.917 -16.463 11.789 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 12.735 -12.508 -18.774 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 3.727 5.810 4.471 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 10.797 6.036 34.284 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 -20.809 -11.841 1.656 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 -0.357 7.057 -4.545 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 -13.104 -2.773 7.761 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 -5.990 8.843 -16.468 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 -4.706 3.796 4.161 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 1.460 3.743 1.672 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 5.582 1.371 15.842 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 1.320 -3.703 3.149 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 1.140 -0.941 -2.540 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 8.867 -6.396 -1.049 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 -1.228 1.878 -6.360 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 -0.919 4.099 -21.574 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 15.825 24.832 -6.800 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 -1.532 -0.730 5.478 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 -2.502 -2.955 0.346 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 -4.797 -11.113 -9.362 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 -1.180 -4.065 7.055 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 -2.194 11.174 25.711 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 10.491 -1.433 1.439 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 3.263 1.555 -1.024 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 -7.870 -7.405 3.502 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 -1.133 -5.306 -2.410 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 0.526 -8.065 -3.554 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 2.118 14.236 -0.468 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 1.330 -22.357 -16.074 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 -1.839 3.085 -3.221 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 -6.347 -9.341 7.415 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 5.558 25.634 -33.240 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 9.252 -2.208 -1.054 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 18.235 -4.635 -13.949 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 4.038 9.960 7.495 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 4.253 -0.493 -0.386 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 -10.585 -3.478 -3.027 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 1.254 3.557 -0.486 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 -2.042 5.816 1.202 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 -3.358 11.389 9.835 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 -10.808 5.934 -4.304 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 5.711 0.279 1.873 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 9.535 -2.540 15.817 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 11.652 6.209 0.976 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 1.349 3.235 1.713 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 -4.872 20.984 21.220 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 -44.402 4.242 6.185 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 3.797 -7.137 -7.701 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 8.439 -5.970 -7.547 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 -16.085 24.345 -14.817 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 -5.396 0.266 2.001 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 -10.597 3.170 2.169 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 6.913 2.054 6.396 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 3.402 -2.387 2.009 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 19.334 -11.206 -9.214 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 -8.102 -22.135 -2.947 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 -0.061 -0.721 -0.976 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 2.787 6.636 -10.850 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 7.776 23.594 -3.911 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 -3.865 0.376 3.877 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 1.834 -5.618 -0.620 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 -15.804 7.256 13.330 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 5.419 5.306 4.909 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 -5.281 4.015 -0.592 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 9.955 -9.535 11.923 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 -1.977 0.825 -2.754 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 0.112 -12.169 -12.981 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 7.996 -1.349 -0.336 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 0.587 4.922 -5.461 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 9.754 12.101 3.701 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 -5.854 -2.198 -11.560 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 -5.830 -3.894 -0.606 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 -8.668 -0.433 -4.660 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 0.320 -2.669 -1.977 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 -2.163 -4.335 3.047 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 2.299 1.851 11.770 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 -2.370 -5.676 1.750 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 -1.884 3.477 1.385 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 -6.835 1.710 -11.986 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 4.134 9.683 12.791 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 5.381 1.754 -5.177 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 5.795 7.020 -3.428 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 7.010 6.504 -14.104 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 -3.066 -2.250 -5.523 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 10.368 4.057 8.471 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 2.229 -1.882 -12.680 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 5.392 -3.308 0.298 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 3.528 -1.412 4.407 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 4.106 -12.804 -4.480 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 4.509 4.197 -2.975 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 8.693 -3.625 -0.129 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 3.772 3.812 -1.526 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 -4.111 -3.908 -1.832 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 -9.454 -9.821 12.484 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 -4.619 8.826 -0.184 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 0.578 3.648 1.067 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 -2.802 10.357 -5.412 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 -0.381 -2.682 4.126 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 7.050 -1.722 1.649 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 21.140 -11.665 -6.521 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 16.234 15.077 10.023 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 2.668 -4.895 0.520 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 -7.486 1.455 -5.821 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 17.153 -11.810 10.625 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 7.683 2.984 2.348 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 -6.424 6.904 12.794 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 0.627 5.688 -15.507 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 3.554 8.015 -1.292 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 -3.937 9.860 -12.533 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 -4.535 5.834 8.726 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 -1.862 4.930 0.549 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 22.685 17.643 2.799 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 -10.321 -14.423 7.349 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 -3.328 0.566 -4.053 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 -4.594 -0.411 -13.983 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 9.542 -2.452 -0.835 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 -4.453 -0.114 -5.907 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 11.230 -6.350 -5.411 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 -15.650 6.977 23.350 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 -2.694 -10.808 -0.750 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 19.160 -13.244 -8.937 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 -28.110 -6.978 -28.850 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 -3.009 -0.520 6.310 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 1.140 -26.896 12.475 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 -11.471 16.262 -5.759 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 -3.362 -0.205 -2.295 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 17.497 -1.186 -6.862 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 0.912 -0.380 -11.155 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 -8.400 -4.669 6.261 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 2.001 -20.108 21.073 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 -16.650 12.558 23.467 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 -2.668 1.633 -5.361 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 0.726 16.591 13.690 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 16.614 -10.017 -21.409 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 0.249 6.552 0.911 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 -24.983 -24.515 -16.893 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 4.182 -7.028 -4.616 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 -5.648 5.121 1.306 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 -3.565 -7.768 -2.538 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 0.544 20.723 15.502 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 0.572 -5.881 7.927 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 0.357 8.976 -1.875 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 -3.951 -32.768 29.472 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 3.923 0.891 5.302 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 3.579 0.241 -8.317 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 -12.528 -7.491 -0.240 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 1.018 -5.610 -1.848 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 8.896 -47.341 5.784 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 13.496 -8.148 14.331 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 0.836 -7.230 1.537 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 4.350 -0.302 13.723 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 7.350 1.281 -8.537 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 0.586 -0.328 -2.914 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 -15.552 16.166 3.114 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 18.415 6.606 13.132 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 -9.031 4.113 -0.688 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 5.560 8.605 -0.759 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 -26.247 15.896 9.894 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 1.028 -1.311 0.800 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 -6.044 3.884 -19.029 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 4.981 -3.994 -5.921 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 -0.268 0.371 -1.588 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 13.997 -2.518 -6.166 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 -5.913 8.877 3.565 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 0.821 -1.708 -7.381 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 -4.962 9.411 -25.530 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 -5.150 -10.346 -13.264 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 -3.987 1.096 -2.503 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 -12.328 5.954 15.321 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 2.632 -20.293 4.936 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 2.092 -2.166 -3.756 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 -16.750 -15.344 5.323 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 -10.246 2.155 -25.372 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 -0.321 1.456 -0.814 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 -6.504 12.654 -0.089 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 -0.581 -9.997 -1.488 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 2.528 1.376 1.019 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 3.885 5.092 2.524 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 16.187 30.079 13.177 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 2.048 -3.494 3.804 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 -20.878 -9.244 -4.829 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 9.636 -6.803 0.830 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 4.402 2.241 -1.603 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 1.495 -1.230 -11.419 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 23.353 8.885 -30.119 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 -4.734 9.554 -0.689 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 -32.987 3.140 20.333 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 -2.278 10.316 -2.220 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 -2.601 -0.379 2.739 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 -16.845 -4.235 8.303 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 -11.939 17.622 -0.194 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 -0.959 -2.139 1.680 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 6.578 3.742 -6.124 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 -0.334 8.817 -2.430 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 -6.144 0.015 1.045 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 30.229 -7.753 16.270 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 -10.912 -2.900 -5.489 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 3.203 -1.337 -3.181 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 -8.513 -1.613 4.115 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 -2.752 -0.083 1.435 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 -2.711 1.613 -0.476 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 6.172 1.544 -13.752 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 9.810 2.185 -20.524 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 -0.631 -2.315 -2.476 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 17.923 -14.388 -20.363 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 16.803 -17.573 7.126 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 -1.731 -4.106 1.224 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 -4.587 -1.274 -5.661 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 15.458 -32.631 -1.738 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 -2.348 4.913 -4.114 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 -0.063 6.284 -11.401 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 -0.684 4.942 -6.794 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 -5.279 -2.699 2.234 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 -9.107 -10.068 6.909 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 18.258 18.913 -21.611 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 1.655 2.928 -2.478 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 3.219 7.373 -12.277 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 -9.595 13.647 0.538 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 1.451 -8.684 -3.262 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 -1.811 -14.519 1.758 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 -8.234 6.991 -10.983 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 2.465 -2.691 9.155 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 0.797 6.710 -3.591 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 -11.811 -9.263 12.847 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 0.666 4.532 0.193 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 16.448 26.716 17.540 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 5.401 11.899 5.911 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 3.941 2.584 -0.618 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 19.994 -25.635 -1.058 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 11.413 7.135 -26.633 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 -2.290 14.080 -1.990 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 5.960 8.220 3.326 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 4.721 10.390 -1.586 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 3.216 1.580 -0.334 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 -5.947 16.345 -15.456 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 -0.259 -3.636 25.816 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 2.005 -9.531 -4.360 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 -10.519 4.507 2.161 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 9.887 -19.108 17.508 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 1.962 4.608 -1.432 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 6.155 6.039 -20.163 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 -1.024 2.866 11.711 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 -0.932 3.365 0.792 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 -11.711 -25.372 -11.447 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 -5.733 2.269 -4.685 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 0.998 -3.824 -2.084 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 -0.439 -6.111 -30.085 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 -1.691 -0.474 16.865 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 1.496 -3.082 2.241 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 20.370 3.449 -8.466 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 4.242 10.883 9.370 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 -1.800 4.985 2.938 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 3.648 -2.384 -0.014 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 6.172 -6.645 -2.686 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 2.205 -1.854 -5.819 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 11.286 0.059 -13.758 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 -15.995 -17.917 -11.474 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 3.518 2.781 -4.071 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 -0.018 -3.948 -15.727 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 -4.520 8.223 -10.789 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 0.781 1.433 5.486 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 3.871 -27.832 3.384 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 0.907 -1.927 -4.710 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 -2.402 5.186 -1.366 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 9.949 7.551 -6.572 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 -7.035 16.891 2.592 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 0.176 -4.068 -2.799 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 -3.210 -4.882 -6.740 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 -9.110 -14.226 -15.463 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 2.278 0.517 0.249 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 -19.911 -1.032 1.461 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 1.980 -1.067 17.143 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 -4.556 1.411 -1.933 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 -0.357 10.796 19.749 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 -20.166 -4.324 -8.754 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 4.457 0.960 -7.577 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 7.414 -11.204 0.436 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 4.758 -0.946 -5.180 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 6.339 -5.039 2.690 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 -1.938 3.090 5.691 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 1.374 -17.197 -0.893 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 3.460 -0.111 4.258 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 16.310 18.170 -1.605 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 17.332 13.167 -8.204 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 -2.920 -0.409 2.260 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 -7.656 -2.254 9.146 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 -2.271 5.172 -3.173 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 -2.482 -6.117 6.524 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 3.618 1.990 10.268 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 -3.230 -9.864 -1.830 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 0.812 4.328 -0.094 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 10.033 1.979 -5.338 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 2.986 12.705 5.745 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 -9.038 -1.092 5.950 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 -10.924 -0.561 15.055 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 -4.699 0.685 -2.008 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 -1.619 3.921 6.840 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 -0.959 0.711 9.644 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 -14.256 -1.969 9.955 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 -0.597 -0.389 7.163 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 -2.237 -8.166 16.716 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 -10.766 -19.888 11.865 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 -7.988 -1.977 7.247 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 3.200 -15.494 12.603 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 -10.248 21.123 -1.386 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 4.339 -0.861 -0.778 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 5.453 2.859 6.256 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 12.180 2.674 -11.380 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 -3.010 -0.407 -2.448 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 26.180 -8.551 -2.025 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 -17.470 10.035 5.323 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 -5.482 2.553 -2.687 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 2.584 16.471 1.117 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 -3.172 2.187 -11.309 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 -0.438 -2.953 -4.038 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 2.584 -0.010 -2.858 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 -6.122 -6.114 -10.570 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 6.601 0.375 2.160 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 -4.310 16.982 -40.371 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 -20.640 24.632 27.500 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 -3.254 -2.947 1.002 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 27.431 -23.003 -14.997 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 -8.483 0.026 4.535 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 -0.041 -5.545 -3.511 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 -0.001 7.336 -1.369 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 0.438 -7.811 -11.525 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 -4.347 1.898 -6.659 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 2.164 -7.539 -12.956 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 12.856 7.899 -4.392 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 -1.035 2.852 -0.704 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 6.459 11.969 -6.410 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 -14.380 1.729 -5.771 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 -5.565 -4.512 2.020 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 4.953 1.868 1.048 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 -12.905 3.322 -7.858 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 -1.103 -3.203 0.968 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 -21.081 11.248 -22.115 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 -20.242 -12.658 -19.408 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 1.872 -1.134 -1.816 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 10.731 11.392 -4.598 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 -2.481 17.152 12.576 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 8.605 -3.661 -6.055 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 1.526 -35.871 2.268 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 10.677 15.288 -2.379 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 -7.100 -2.220 -2.651 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 1.736 11.920 -11.805 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 30.855 21.434 20.692 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 -2.203 2.345 6.844 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 -1.670 1.489 13.958 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 7.093 -23.512 -13.613 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 2.546 4.498 5.472 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 27.964 -5.262 -6.592 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 -9.715 3.404 16.109 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 -4.979 0.174 -0.366 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 -1.633 0.573 -12.796 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 -9.490 -13.156 0.438 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 1.864 -2.579 -0.827 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 -4.286 15.563 -29.040 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 7.893 20.440 -3.602 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 5.005 -9.095 2.130 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 16.936 7.565 -5.257 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 19.605 -17.700 -5.996 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 -3.605 -4.994 4.602 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 -9.489 -10.189 4.135 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 1.513 -0.994 3.378 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 0.011 0.865 2.524 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 -15.592 -5.760 19.844 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 9.476 -13.947 -30.237 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 -2.445 3.624 1.077 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 -2.365 4.347 -7.736 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 4.108 11.602 2.785 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 -10.106 -2.224 0.095 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 -16.678 1.712 5.120 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 2.285 0.458 -5.800 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 7.646 2.036 3.163 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 10.529 6.265 15.497 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 13.753 0.297 13.021 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 0.055 -1.879 0.808 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 -0.539 -2.783 -1.474 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 -2.045 -4.653 1.511 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 -1.794 -0.373 1.331 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 -15.555 4.805 -8.099 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 12.893 1.675 -9.830 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 2.286 5.112 8.832 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 0.141 -3.972 9.187 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 -3.765 15.698 7.947 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 1.160 6.742 8.078 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 10.016 10.770 17.866 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 -4.331 -22.496 1.692 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 1.858 -2.323 2.151 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 -35.434 4.633 -5.310 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 12.344 25.586 25.639 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 4.336 4.008 1.582 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 -11.715 -10.772 -1.768 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 7.999 0.844 -9.975 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 5.486 0.523 -3.761 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 16.186 -6.274 -1.916 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 -4.549 -8.166 -1.002 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 -1.557 -0.813 -1.791 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 -10.829 16.878 -12.719 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 -12.846 -0.572 13.352 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 -2.855 3.695 3.442 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 -9.126 10.128 -5.143 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 -15.275 29.174 -0.025 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 -0.590 4.490 1.953 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 -1.204 4.771 -4.894 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 -0.929 4.078 -6.871 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 0.287 8.562 -4.966 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 6.024 10.050 -10.739 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 -27.380 -5.800 0.714 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 1.177 -4.930 -5.703 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 2.925 3.487 -2.853 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 17.387 -16.344 10.129 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 6.840 1.326 2.042 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 10.857 -1.786 -13.762 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 7.588 2.330 -9.169 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 3.266 -0.025 -2.582 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 -10.298 21.576 -33.813 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 8.162 6.276 -15.557 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 -5.083 -3.409 -0.138 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 1.977 8.793 7.973 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 19.593 -5.916 -2.693 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 -0.469 -6.753 -4.217 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 -16.710 17.981 3.159 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 -27.430 8.964 -2.120 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 2.513 -2.161 4.635 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 8.179 -4.161 0.878 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 -6.644 4.050 13.870 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 3.603 5.776 0.588 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 9.984 3.606 10.168 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 1.679 31.398 -5.009 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 -7.908 -0.225 -3.168 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 8.983 9.568 -29.435 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 -19.203 -5.541 14.517 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 1.012 3.379 -2.147 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 6.507 13.151 -5.126 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 0.337 1.683 -0.812 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 0.101 2.782 2.728 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 17.484 9.009 -7.850 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 -17.781 8.947 11.849 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 -1.419 -3.953 4.674 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 -13.085 -18.402 3.717 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 -1.454 -3.538 9.580 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 8.094 -5.519 -4.471 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 7.302 -3.764 -3.366 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 14.857 -20.094 -11.845 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 -4.175 3.184 -3.263 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 1.456 -2.497 -4.330 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 -2.084 6.875 -7.180 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 0.057 -2.416 -3.362 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 -2.799 4.790 -4.450 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 1.179 3.057 -3.826 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 7.047 1.738 -3.771 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 15.239 -11.886 -21.785 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 13.331 -4.833 -3.145 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 -1.699 2.182 -3.688 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 14.841 -11.574 36.416 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 18.012 5.900 -2.924 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 9.640 4.719 -0.749 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 11.993 3.994 -11.222 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 13.975 14.211 3.480 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 -3.568 -3.760 4.085 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 -10.233 4.497 1.347 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 -13.760 -1.248 -6.465 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 -0.812 -4.981 -0.894 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 -30.728 -0.687 7.790 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 -0.870 -6.117 9.097 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 -5.315 -2.050 1.815 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 6.145 -0.913 -6.239 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 -0.947 0.041 -19.586 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 7.149 1.433 3.723 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 -1.971 23.266 11.794 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 14.067 14.872 6.292 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 2.471 -1.089 -5.969 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 7.347 -13.365 -7.743 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 2.698 8.178 -9.377 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 -6.150 -0.466 -1.445 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 -4.907 6.617 0.457 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 5.076 11.039 -1.555 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 1.112 -13.903 2.623 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 4.805 -0.439 0.781 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 20.005 3.386 -0.339 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 -1.240 0.800 -1.322 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 -6.816 24.847 -5.892 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 4.938 7.999 1.594 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 5.772 -3.351 4.361 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 6.387 5.976 -6.802 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 6.710 6.442 20.709 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 -4.875 4.032 -4.183 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 -14.890 -2.686 3.231 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 -10.094 -0.759 -20.136 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 -2.850 -2.664 -2.619 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 -2.270 -8.570 -0.560 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 -2.575 -12.245 0.617 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 1.628 -3.849 -2.611 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 -7.010 5.399 -8.799 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 13.079 -4.502 -12.461 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 1.147 5.147 0.334 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 10.434 9.748 -24.977 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 -10.533 4.409 11.899 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 -3.660 1.663 2.165 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 -7.205 6.194 -11.784 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 -15.637 17.811 18.096 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 1.286 3.178 -3.974 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 -0.808 -7.285 -1.273 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 -2.825 -22.829 2.185 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 -1.917 3.290 -4.364 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 2.257 5.430 -1.339 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 15.685 19.162 -0.025 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 -0.591 0.735 -4.082 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 26.179 15.566 8.021 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 0.980 6.539 -36.865 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 4.444 5.472 -2.772 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 -11.424 -17.421 -1.695 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 -0.566 6.574 -11.916 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 2.221 7.879 0.600 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 -10.835 0.044 -20.331 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 6.746 9.081 1.417 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 2.796 -0.593 2.651 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 7.210 -3.081 10.462 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 6.546 -0.929 12.509 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 -5.896 2.530 -0.385 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 -21.359 -0.796 -38.915 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 -10.420 -7.101 -9.556 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 0.614 3.828 -6.214 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 -21.016 3.392 -4.474 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 8.855 -3.725 11.451 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 -0.476 -0.423 2.550 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 14.716 5.727 -0.631 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 2.952 -16.824 3.156 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 -4.784 1.551 5.050 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 -6.380 14.093 5.261 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 0.841 -1.651 15.781 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 -2.039 0.242 2.159 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 14.708 4.153 16.215 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 -7.530 20.497 -6.174 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 -2.217 1.519 -3.482 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 6.925 8.382 -10.811 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 21.241 -1.084 -5.858 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 3.752 4.482 0.447 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 14.556 -22.062 -8.750 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 -9.611 13.753 18.505 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 1.944 -2.049 -0.979 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 -0.487 -1.608 10.201 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 8.118 -7.875 -8.585 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 1.797 1.138 2.805 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 0.974 14.554 -9.406 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 4.241 -13.054 14.366 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 -3.363 -2.529 -5.596 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 2.165 3.268 8.245 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 -3.073 11.143 9.480 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 3.817 0.880 0.815 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 12.809 21.260 -1.346 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 2.528 18.201 -16.657 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 -0.277 -4.525 -1.339 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 6.149 3.960 0.494 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 -22.891 0.303 -0.168 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 -2.305 3.370 -3.272 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 -14.951 -19.102 2.736 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 -4.058 3.923 0.651 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 1.785 0.924 -0.737 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 3.730 -6.481 -3.101 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 -4.280 17.134 7.668 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 -0.937 0.282 1.047 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 1.907 0.249 5.888 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 -3.966 6.451 0.027 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 5.225 -6.236 -8.490 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 10.895 -3.920 -10.666 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 -7.292 -12.192 -2.089 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 4.478 0.246 -2.982 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 2.333 5.164 11.361 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 16.253 -10.997 19.840 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 -1.948 1.181 -8.054 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 -1.563 3.401 -7.875 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 1.175 -15.479 -9.535 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 -7.439 6.257 -5.747 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 7.445 -2.695 -5.071 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 2.082 -7.190 -24.061 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 3.414 4.177 2.203 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 -2.939 -10.728 -5.132 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 -8.102 4.372 -1.585 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 0.975 4.951 -2.754 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 4.962 -11.062 -24.670 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 4.534 17.997 4.896 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 -3.615 -3.162 -2.891 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 -5.107 -18.356 19.200 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 -10.525 19.954 5.726 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 -2.424 0.846 0.225 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 23.123 -31.930 3.144 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 26.413 6.117 7.471 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 -0.323 2.658 1.694 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 -14.496 -7.657 -6.840 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 -8.932 14.345 16.550 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 0.841 -1.668 -2.914 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 -3.220 0.050 0.636 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 2.500 -11.113 -11.720 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 -1.670 6.140 8.778 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 -2.394 6.467 8.129 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 2.967 -5.342 16.148 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 1.749 3.698 -1.197 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 -5.437 11.529 -12.804 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 15.751 9.268 3.324 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 -5.541 -0.941 -1.188 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 5.927 2.099 -13.076 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 -8.136 -10.470 -2.462 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 5.600 -4.747 2.873 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 3.840 -3.338 0.035 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 21.591 2.849 5.958 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 -0.369 -0.071 3.854 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 22.005 -13.295 26.031 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 17.300 -12.868 35.842 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 -0.373 0.931 -4.748 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 3.144 -3.985 9.835 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 -3.404 1.212 -1.383 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 2.972 -0.098 0.854 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 -2.098 44.256 -5.770 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 5.781 -15.366 13.118 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 -0.573 6.170 2.293 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 7.018 15.120 -1.590 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 -1.542 15.746 22.286 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 8.153 3.503 5.148 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 25.488 12.213 13.672 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 3.341 0.701 5.769 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 5.517 -5.762 -6.433 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 5.249 -15.509 6.663 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 18.991 -8.969 -1.593 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 2.716 -0.109 5.367 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 -9.824 2.927 6.674 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 2.680 -2.626 12.789 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 -6.155 5.348 -3.598 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 18.979 -4.961 13.574 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 -1.643 4.942 -0.115 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 -3.301 -2.933 -2.246 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 -1.710 6.168 16.048 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 3.460 6.649 -19.643 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 -1.644 6.599 0.862 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 -1.948 1.175 1.898 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 -4.350 4.088 1.454 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 -4.436 5.555 1.683 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 -1.700 0.821 -0.805 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 -7.286 16.627 7.753 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 3.573 5.260 -0.151 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 0.456 4.400 -20.699 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 -4.385 -14.301 16.699 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 -2.768 -1.697 2.086 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 1.075 -0.737 -0.831 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 -7.545 1.826 -5.742 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 2.910 -4.287 4.950 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 -11.755 -8.857 -3.273 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 -1.065 -8.373 -1.495 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 -0.173 0.423 1.479 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 -10.456 -9.380 -33.921 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 -17.717 -12.779 -37.712 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 1.185 -5.162 3.553 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 6.440 -0.203 12.652 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 -0.372 -5.326 4.571 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 -3.699 3.895 -0.157 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 9.609 16.571 15.792 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 -14.046 5.589 -12.199 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 4.874 -8.335 5.064 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 17.290 -8.159 12.817 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 12.118 -3.227 9.728 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 3.647 1.742 -3.638 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 -0.306 -1.980 -4.331 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 23.097 8.450 5.267 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 -8.839 6.614 -1.363 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 -36.055 -21.150 -11.404 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 27.337 -4.346 -3.787 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 -2.307 0.503 -4.304 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 0.961 -7.205 -3.514 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 -19.452 0.258 5.993 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 4.578 1.900 2.466 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 6.013 1.452 3.174 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 24.359 -10.447 6.924 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 6.987 -2.431 2.413 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 15.955 6.432 -11.659 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 17.609 6.321 24.846 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 4.288 4.955 4.131 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 8.825 41.900 -1.216 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 6.477 -6.744 13.584 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 4.527 -0.173 -5.036 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 7.911 -2.581 -0.871 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 1.150 1.678 -10.670 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 2.027 0.775 -1.053 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 -1.673 8.541 0.926 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 4.866 -22.218 5.137 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 -1.397 -11.583 -0.899 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 -10.142 -19.092 1.183 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 -4.326 -24.117 7.033 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 4.800 3.531 2.577 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 -4.077 -10.708 15.626 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 6.412 27.962 -9.806 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 -0.309 -3.359 -1.080 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 -2.326 10.622 1.741 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 -0.282 -0.258 -3.667 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 -9.180 4.017 1.500 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 8.659 6.925 -0.255 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 -9.419 -15.021 1.284 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 0.364 2.028 -2.310 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 -3.758 11.948 21.975 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 3.195 0.107 -2.971 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 -7.079 -2.693 2.449 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 -12.302 -3.276 -9.532 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 6.780 6.817 13.298 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 -1.698 1.614 3.494 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 4.445 13.054 14.694 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 -8.263 -3.099 12.616 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 7.146 -3.768 3.181 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 9.596 -2.797 -1.646 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 -20.278 -11.350 -13.079 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 1.277 7.904 -2.608 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 -7.161 16.852 -6.327 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 12.701 2.424 13.702 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 2.309 -3.329 -6.661 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 -1.031 3.653 4.166 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 -25.510 28.752 -16.090 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 -4.934 -0.375 8.382 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 -8.976 7.533 -4.417 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 -7.016 3.208 3.239 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 0.008 0.504 -0.398 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 -8.214 -20.332 23.289 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 -14.793 27.562 -2.054 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 0.532 1.196 -0.946 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 -8.019 7.897 8.159 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 -6.548 16.698 -8.460 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 1.715 3.630 1.020 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 12.540 -13.722 12.670 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 -0.807 13.417 -24.302 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 2.107 1.657 -0.219 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 0.071 2.318 4.687 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 -12.463 4.189 -10.183 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 0.886 -3.005 2.376 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 8.315 -5.874 -7.566 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 0.441 -2.024 -14.719 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 -2.276 0.807 -4.303 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 -5.616 15.282 -2.032 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 -22.411 20.272 -11.734 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 -4.183 -7.129 3.175 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 17.739 -5.568 -11.835 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 21.504 5.610 2.959 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 -3.239 -7.469 7.202 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 2.317 -5.064 4.258 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 19.447 11.037 2.715 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 2.432 0.688 0.598 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 5.115 2.320 -1.398 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 0.819 2.985 2.384 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 4.030 2.845 1.359 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 3.424 9.380 -2.552 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 3.367 2.506 -0.690 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 1.812 -1.633 0.458 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 2.712 4.822 -8.847 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 -0.750 3.316 -11.837 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 4.529 -0.686 0.769 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 -5.301 0.811 -8.830 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 -13.150 -7.162 -8.991 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 -1.131 -4.861 -1.336 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 -1.246 7.242 1.351 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 -1.118 -1.419 -0.480 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 3.388 0.677 2.014 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 3.952 -3.707 1.412 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 5.922 -6.963 -1.123 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 1.565 -1.317 -2.092 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 0.866 8.287 -2.144 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 3.626 14.809 -0.496 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 -2.851 -4.029 -2.218 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 0.697 7.179 4.217 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 1.940 -1.888 -0.006 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 4.561 2.304 -4.140 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 0.397 -13.202 12.860 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 11.240 5.080 3.857 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 -0.444 -1.945 1.010 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 -16.911 4.087 -6.872 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 -4.329 -15.922 -4.827 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 0.136 1.910 -6.253 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 24.605 -0.830 9.699 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 31.142 9.031 -24.645 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 -5.900 2.348 -0.052 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 -4.719 6.507 6.724 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 -0.342 16.518 13.684 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 -2.237 -1.172 1.562 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 4.394 -5.840 9.515 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 0.430 -22.897 31.227 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 -3.280 -0.712 2.812 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 2.752 -13.225 4.784 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 5.545 -2.499 9.992 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 -1.451 6.840 2.433 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 0.055 -4.964 0.528 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 -4.529 24.409 7.910 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 -5.792 4.569 -0.143 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 -0.358 12.212 -8.748 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 -10.150 -1.080 5.158 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 -0.172 6.153 -4.342 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 9.346 31.085 -14.033 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 -3.443 14.883 -11.956 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 4.921 -1.355 -0.794 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 21.903 -19.972 -1.030 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -2.135 15.042 -4.301 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 -4.127 -2.686 -1.333 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 -2.596 -6.821 0.983 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 -1.094 -9.870 1.326 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 -1.223 1.446 0.002 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 -15.388 -13.810 12.153 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 8.564 -6.575 10.432 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 -5.275 2.807 -2.306 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 -13.073 -2.651 -14.511 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 -6.493 9.703 -1.814 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 2.661 -1.106 -6.086 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 12.497 -9.011 -12.845 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 10.525 5.605 -12.864 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 3.444 4.693 -1.880 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 -2.548 -4.194 -13.512 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 2.985 5.292 5.448 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 5.386 11.631 -0.578 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 -16.445 7.033 -0.322 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 -7.700 11.960 13.359 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 1.621 1.189 -0.322 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 0.612 -1.438 -4.026 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 -1.596 0.432 0.831 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 1.091 2.978 -2.628 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 -0.186 10.470 -19.664 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 -6.599 -17.604 -4.507 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 -4.615 0.726 6.040 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 4.425 10.868 0.823 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 -9.819 -5.566 -8.254 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 3.726 3.279 4.912 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 17.351 11.884 -4.258 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 14.358 0.560 11.800 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 -2.635 -3.962 3.221 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 -0.649 8.893 6.236 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 4.676 -16.152 14.986 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 -0.139 -6.087 -6.184 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 7.814 -7.808 -15.543 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 -0.167 -12.106 -6.837 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 -4.567 0.222 5.970 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 6.134 -3.137 3.759 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 -17.642 1.867 6.719 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 3.376 -0.480 0.967 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 3.490 -21.502 -9.338 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 4.022 1.956 1.920 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 -3.122 3.690 1.718 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 -5.093 -7.190 -24.322 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 -3.279 -11.735 -1.220 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 2.745 -1.606 -4.182 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 -4.034 6.065 -7.894 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 13.900 -8.922 -8.662 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 -0.177 2.349 5.080 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 -0.185 -2.606 -9.173 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 -3.440 5.589 15.671 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 -3.011 3.831 -5.479 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 2.438 0.907 -1.534 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 10.530 -13.645 -2.174 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 -2.051 -2.365 9.867 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 -13.015 -6.080 17.383 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 -5.410 -6.432 -4.185 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 1.464 4.707 0.843 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 5.767 -18.294 13.542 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 19.005 -14.199 -24.607 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 6.104 -2.629 -0.675 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 -2.303 -23.257 -7.084 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 19.744 10.929 5.855 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 -4.291 -2.804 -7.144 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 6.368 -4.565 -7.417 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 -12.247 -7.124 -17.745 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 2.813 5.851 7.452 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 11.236 1.689 12.784 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 1.252 4.492 -4.719 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 5.627 -3.316 1.145 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 6.176 0.745 -24.431 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 4.526 -5.399 -0.158 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 1.230 1.229 1.780 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 -0.585 14.284 -18.715 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 0.249 4.207 13.707 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 3.841 5.721 2.370 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 -21.395 6.922 -32.761 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 -13.216 -16.703 -4.773 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 -2.906 -3.746 -0.439 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 0.072 -9.712 -4.564 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 7.794 8.441 1.628 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 -2.576 0.693 6.568 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 2.519 1.264 6.300 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 9.215 5.322 -0.097 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 7.914 5.104 -6.720 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 7.205 2.865 -0.085 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 -4.889 0.907 17.347 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 5.696 1.663 -9.583 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 5.612 -7.742 -23.641 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 16.382 7.270 -11.098 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 3.271 -1.852 -0.747 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 -24.695 -22.799 -17.674 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 -3.277 -12.896 -8.790 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 0.738 2.238 3.304 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 -2.302 5.163 20.552 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 3.674 0.855 -9.222 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 2.771 0.852 -0.832 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 -12.410 10.986 9.778 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 -27.650 -6.132 8.977 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 4.210 -6.363 4.642 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 12.616 -7.666 -7.845 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 14.639 1.535 -4.267 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 5.007 -3.660 -6.318 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 -19.304 -5.027 34.517 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 -31.638 2.381 -2.384 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 -0.361 5.936 -1.652 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 -9.504 4.554 -2.682 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 3.484 13.256 -12.647 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 -3.635 -0.286 7.279 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 4.232 3.314 -8.288 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 2.747 5.929 -2.350 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 -0.283 5.688 6.300 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 17.137 -10.103 -7.429 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 -21.085 3.051 -2.960 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 0.690 -3.966 3.287 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 10.033 -0.517 -19.386 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 -26.677 7.639 14.963 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 4.297 -1.742 4.886 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 7.567 3.004 -0.320 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 4.810 -9.781 -3.835 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 4.235 -1.984 -0.417 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 9.758 -3.345 -3.373 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 11.759 2.887 -20.466 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 -1.609 -2.309 2.289 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 -2.871 6.484 0.085 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 10.733 -9.891 2.358 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 -6.675 2.737 -2.332 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 -1.911 -28.391 -10.170 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 5.235 -6.922 7.159 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 -3.599 0.448 0.645 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 2.541 -4.952 -14.480 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 -14.750 8.906 19.978 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 -4.802 -7.381 4.173 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 -8.900 -20.359 -5.240 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 11.068 -9.810 7.693 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 1.580 -7.462 2.409 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 4.900 2.841 0.953 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 3.851 5.533 6.423 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 8.760 -2.437 0.153 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 4.336 -0.012 0.065 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 10.871 -9.156 4.144 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 0.533 -0.247 0.796 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 -2.343 -2.722 -1.471 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 8.059 12.235 13.457 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 2.037 -0.433 -1.227 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 2.143 -6.753 -11.519 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 -0.891 6.583 -21.255 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 2.101 2.663 6.891 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 -2.821 4.950 2.450 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 17.433 3.802 11.920 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 -1.662 -4.704 -3.472 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 -8.851 -4.029 6.048 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 -0.985 -4.152 -6.644 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 -0.417 3.743 6.934 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 5.312 1.659 3.114 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 -9.273 -13.803 -12.371 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 3.551 -0.475 -0.699 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 2.029 -8.958 0.802 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 -18.124 -0.033 18.372 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 2.965 -3.617 -1.782 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 -4.929 -6.177 5.526 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 8.569 -0.588 5.511 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 -4.281 8.989 -7.585 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 5.684 10.630 -4.653 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 13.151 -1.206 -13.676 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 1.977 4.362 6.073 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 7.979 3.371 1.091 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 -2.270 5.449 13.236 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 2.012 -1.423 -5.452 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 1.148 -5.180 -1.981 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 1.952 -8.292 -8.566 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 -0.088 -2.638 1.202 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 5.612 -19.282 17.662 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 -2.108 -4.262 3.612 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 -2.509 3.601 8.640 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 -9.756 7.070 17.819 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 4.781 14.887 24.069 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 2.367 -1.932 -2.388 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 3.012 -17.648 5.427 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 14.208 12.689 4.094 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 -5.150 -4.256 0.594 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 -4.972 -17.695 5.096 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 -3.614 21.744 -7.672 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 -6.695 -3.959 4.548 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 1.603 19.100 -4.080 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 -14.945 -23.594 9.604 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 -1.597 -0.172 -3.913 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 -1.317 -0.543 -2.334 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 0.395 -2.894 -2.524 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 -5.265 -0.522 2.936 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 13.477 14.230 7.408 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 -6.471 -0.969 -22.433 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 5.744 1.029 7.036 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 20.189 -5.313 4.031 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 -28.027 3.773 9.469 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 -2.812 -3.688 -1.577 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 -3.726 -6.347 -2.682 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 11.486 9.960 -2.909 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 3.915 -4.127 2.213 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 4.642 0.208 -2.749 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 7.081 2.416 1.778 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 5.105 0.263 -5.871 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 -5.062 -0.705 -22.095 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 8.462 11.457 -1.151 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 2.204 -4.061 -0.357 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 18.869 -7.461 16.245 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 2.115 0.079 14.315 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 5.176 0.053 -0.538 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 13.208 7.705 -0.444 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 -13.895 -11.911 11.827 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 1.240 -1.214 -4.650 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 -7.206 -21.254 -1.137 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 4.768 7.766 15.534 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 -3.542 2.619 1.724 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 3.837 17.428 17.230 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 -6.276 -15.653 -17.203 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 3.864 3.990 2.008 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 3.252 27.625 -6.010 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 -11.462 0.247 -3.388 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 1.442 7.017 2.339 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 0.374 3.679 3.452 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 -0.035 4.072 6.215 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 -8.007 -3.118 -2.686 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 -10.332 -3.643 -8.001 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 3.578 -7.362 15.997 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 -3.337 1.418 0.236 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 10.413 -2.877 -16.881 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 -5.070 9.867 37.929 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 -1.537 -1.145 2.700 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 8.117 18.427 -12.436 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 6.238 7.997 1.370 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 6.538 -1.835 1.513 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 1.295 -31.028 -4.746 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 0.462 -10.137 2.697 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 3.695 -4.838 5.553 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 0.002 0.844 5.959 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 -31.158 -7.385 17.311 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 1.796 -3.423 3.754 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 -5.288 -1.079 3.243 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 20.969 -11.200 -1.830 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 0.152 -3.432 0.279 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 2.327 0.059 -11.981 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 -0.516 -4.557 -0.153 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 -0.856 8.249 8.618 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 7.045 -31.830 -14.422 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 -9.331 5.977 20.422 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 0.952 -9.120 1.447 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 1.120 -18.056 -11.283 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 -1.261 -14.601 14.169 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 8.918 1.247 -6.193 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 10.763 5.367 0.852 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 -4.884 -3.760 12.631 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 -7.403 2.133 -2.760 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 -23.137 2.511 -5.655 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 15.174 -13.781 26.348 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 1.012 2.258 0.799 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 -21.406 10.499 2.902 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 -11.469 6.929 1.889 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 -1.815 1.422 3.419 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 -0.085 14.025 3.184 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 -6.962 -0.404 -5.105 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 -1.957 3.733 0.244 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 0.903 4.277 4.334 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 0.483 3.351 -4.247 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 4.645 -0.467 -4.780 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 6.459 4.652 -28.118 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 26.393 0.982 -4.590 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 -4.074 -5.817 1.457 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 -1.296 -1.753 -6.448 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 4.533 -8.331 6.185 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 -5.980 7.022 0.796 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 12.666 -11.636 25.338 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 -3.691 16.997 -4.966 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 -3.498 -4.946 0.973 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 0.558 20.603 -14.546 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 -11.914 23.614 10.705 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 -1.320 -2.564 4.262 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 5.898 -0.239 2.433 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 5.193 -4.786 3.436 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 5.276 3.794 1.383 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 10.122 19.479 -9.996 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 -6.902 -9.326 22.038 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 2.379 -3.383 -1.031 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 -9.028 22.393 -21.217 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 10.060 -6.303 12.621 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 2.497 1.752 0.984 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 1.550 -1.365 3.045 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 1.871 6.740 9.498 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 3.201 -4.336 2.663 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 19.604 -5.687 -23.494 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 -4.952 -9.053 15.325 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 -0.042 -1.215 3.560 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 -3.865 3.280 9.615 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 18.237 -1.423 8.709 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 4.444 -5.219 0.908 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 -4.809 -4.906 14.519 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 0.089 -2.504 -8.819 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 -2.689 -9.573 -3.261 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 1.084 -7.242 -5.196 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 0.703 0.542 -10.691 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 -0.615 -3.843 -3.835 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 -4.502 -15.760 13.230 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 6.719 3.692 2.968 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 3.311 4.661 1.947 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 2.678 2.258 11.912 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 2.344 -4.952 -2.241 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 -0.950 12.899 -2.851 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 3.506 -4.604 -11.726 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 -6.109 3.191 15.338 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 5.803 2.168 1.883 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 -7.380 -4.424 13.089 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 2.776 2.296 -9.243 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 -3.205 -1.199 0.668 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 -7.096 -0.651 -4.354 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 -17.247 6.752 -21.700 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 1.566 5.440 -5.918 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 16.868 -16.630 2.061 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 -13.941 4.200 10.121 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 -1.487 -0.481 0.632 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 10.330 -8.297 -4.588 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 -20.311 8.058 0.697 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 -2.450 5.946 2.824 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 0.899 10.611 6.358 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 -9.673 -8.883 -3.086 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 -4.505 -1.471 -0.471 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 -5.721 1.220 17.633 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 -4.972 3.055 23.444 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 1.658 -0.878 -2.849 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 -3.463 -0.281 27.205 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 -0.174 0.358 -6.051 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 -2.947 5.197 -0.106 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 2.125 5.319 4.751 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 -5.202 -3.172 -5.215 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 2.009 -3.034 2.956 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 -2.120 -4.546 -3.701 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 -24.187 -6.424 -8.754 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 -2.957 2.983 1.197 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 9.957 -14.072 -0.932 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 0.719 -7.621 10.130 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 1.220 6.793 -3.258 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 -0.917 4.941 0.519 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 8.391 -31.992 -10.644 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 -0.274 -1.823 -2.375 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 8.281 -4.292 1.746 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 -1.410 3.368 3.502 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 -1.282 4.961 5.118 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 10.013 -28.572 -4.923 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 -0.098 26.473 5.903 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 -1.426 2.128 0.272 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 13.555 7.411 -7.645 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 -11.846 16.246 -1.608 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 -3.153 -3.414 -2.880 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 -7.537 -12.413 -7.671 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 3.324 33.275 -1.888 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 -0.367 -2.537 -3.529 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 3.186 4.733 -3.331 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 -4.951 23.867 -21.857 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 -0.622 -4.651 0.397 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 17.347 -30.011 -7.872 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 -4.539 3.344 -4.143 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 -4.872 0.722 5.654 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 -2.442 16.450 -5.864 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 8.766 -15.858 -19.615 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 -7.509 0.882 -7.854 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 12.145 11.301 3.692 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 3.602 -2.120 5.544 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 -2.948 6.314 -6.201 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 9.184 9.576 4.129 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 -5.019 9.671 -8.671 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 4.566 -0.797 7.563 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 11.468 13.218 -2.330 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 -1.004 4.172 11.884 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 -1.743 0.197 -1.813 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 14.695 -21.761 -5.253 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 -24.279 -25.081 34.898 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 -2.350 7.105 2.337 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 -25.776 -16.610 -9.994 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 -3.611 -3.096 8.018 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 -3.701 7.495 0.885 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 2.543 -7.042 3.076 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 -13.766 -2.744 -4.879 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 3.020 -4.652 -4.757 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 16.700 -1.506 33.270 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 0.708 5.522 7.019 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 2.400 0.219 5.081 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 -16.455 -3.713 -5.925 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 14.654 -12.597 -10.053 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 6.310 2.563 -5.828 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 -8.445 -16.629 -15.647 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 -6.885 8.402 14.590 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 0.685 2.243 2.208 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 -8.583 18.880 10.421 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 7.004 1.766 -7.258 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 3.810 0.921 0.143 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 -1.404 -5.527 0.093 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 0.860 -4.885 2.701 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 1.824 2.485 -1.556 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 16.885 0.444 6.228 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 -14.699 -7.347 -11.270 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 -0.989 -6.897 5.375 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 -29.376 10.192 23.029 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 16.396 -21.869 3.078 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 0.522 -3.688 0.437 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 9.585 -5.117 2.056 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 0.497 26.015 -2.435 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 -8.275 0.512 -5.003 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 5.724 9.337 -10.821 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 -17.304 5.083 0.669 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 11.059 3.504 0.083 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 2.647 -10.804 12.266 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 -2.011 13.827 -15.895 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 -1.571 -5.518 -0.862 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 -0.003 -8.782 -0.701 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 -0.008 -1.716 -0.485 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 -0.337 -2.270 1.173 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 2.529 1.263 -1.374 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 0.996 -5.776 11.745 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 5.316 -3.666 -1.442 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 6.966 -7.252 -6.232 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 4.020 -3.360 -6.351 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 1.476 -1.245 -0.878 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 2.720 2.363 -1.963 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 8.386 8.611 10.847 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 -1.354 1.415 1.224 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 1.501 4.908 6.245 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 2.659 -10.579 -4.580 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 -6.511 1.447 0.407 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 -10.457 -10.782 -2.710 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 1.622 28.952 6.697 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 -6.086 -5.736 0.988 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 18.238 0.791 5.178 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 31.239 6.923 5.487 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 -2.923 -3.936 0.196 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 7.723 -5.698 22.510 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 -4.610 7.158 0.563 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 -14.561 -5.716 4.429 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 -17.636 13.467 18.947 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 -12.545 -6.931 2.202 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 1.185 -2.015 -5.882 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 4.888 -6.309 -5.228 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 -6.016 15.829 -4.714 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 -3.860 2.140 -4.149 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 16.294 19.495 -13.823 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 -11.354 -4.842 -0.461 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 -4.051 -4.775 4.645 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 17.924 -10.908 3.702 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 3.896 -5.059 6.842 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 -2.434 3.413 2.221 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 -7.609 -2.608 5.149 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 1.922 -3.739 2.202 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 6.222 6.011 1.507 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 3.484 4.541 4.613 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 -1.472 3.785 13.649 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 8.991 -1.244 -1.678 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 7.736 -1.758 3.344 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 41.328 12.650 23.752 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 -0.996 -2.704 -2.200 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 -14.925 -3.479 7.030 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 -8.867 -16.077 -3.964 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 -0.588 -0.106 0.765 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 18.416 -15.688 -10.798 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 2.186 -10.408 9.079 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 8.862 5.822 2.279 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 -0.121 15.051 0.758 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 1.856 -2.846 8.288 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 3.310 1.897 -2.108 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 3.156 4.897 -0.664 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 3.814 -20.747 1.486 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 -6.519 -9.851 -5.295 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 -0.915 -10.919 -2.550 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 -39.597 1.225 -2.049 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 1.846 -5.827 6.088 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 -9.984 -6.662 8.962 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 8.194 -10.543 -0.003 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 -2.277 -2.285 -5.590 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 0.516 -0.242 -1.495 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 -3.388 -4.619 -2.283 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 3.075 4.651 -6.011 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 -12.240 -16.025 -28.152 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 4.876 -1.630 -26.031 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 -3.893 4.455 -0.417 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 2.713 17.090 1.459 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 8.532 -6.628 2.096 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 1.788 -2.989 -5.081 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 -13.131 -0.418 -8.222 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 -9.888 -1.151 -5.860 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 -0.391 0.334 -4.432 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 -9.466 0.772 -8.620 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 -10.358 -7.739 -9.480 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 9.081 -4.245 -2.520 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 10.971 13.855 20.483 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 8.411 0.342 3.547 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 -0.291 1.928 -3.878 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 9.609 -0.210 -7.435 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 -11.034 20.328 -27.687 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 0.173 4.419 -1.310 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 17.266 0.516 -1.550 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 -13.019 1.234 -6.776 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 -2.624 -7.310 0.212 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 -17.223 -22.837 -14.542 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 -6.584 -7.990 -7.000 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 5.213 -3.534 -2.804 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 8.510 -11.402 -1.167 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 -11.101 -8.891 -31.133 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 0.985 4.591 1.353 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 14.041 15.133 2.559 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 2.406 16.433 -0.428 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 -1.481 -5.607 0.353 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 -1.675 -6.310 -6.124 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 -3.510 2.202 18.754 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 -4.753 1.084 -2.693 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 -2.694 -0.695 -0.940 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 -2.937 -3.550 -7.032 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 -3.458 2.592 1.988 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 2.609 8.680 10.590 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 -8.329 -0.216 6.440 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 -4.643 -6.078 4.418 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 7.723 9.391 19.456 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 4.218 1.983 15.893 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 2.605 6.302 1.165 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 2.900 8.770 11.645 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 13.545 -10.204 -3.565 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 0.547 -3.086 3.031 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 8.280 -8.880 1.027 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 -2.329 -3.450 2.982 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 -4.111 7.210 7.122 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 -2.823 -0.814 16.361 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 5.881 9.964 1.652 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 -0.421 1.268 -0.814 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 16.682 -7.048 -24.183 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 -12.750 27.820 -21.627 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 1.230 -3.092 1.306 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 16.563 -1.571 6.867 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 -12.882 10.861 1.630 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 -1.831 1.967 4.034 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 -2.120 -18.336 -2.066 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 2.921 -5.023 6.923 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 1.634 3.160 -0.221 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 18.153 -4.501 -8.589 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 -3.635 4.227 0.432 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 -7.336 1.250 -4.812 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 0.646 13.711 6.311 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 0.779 9.527 5.502 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 4.796 -4.880 0.648 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 0.532 2.508 -3.186 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 21.044 5.342 3.852 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 4.923 0.959 3.011 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 6.093 -11.534 21.113 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 6.049 11.268 -1.287 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 -5.972 -0.017 1.239 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 -6.129 11.662 27.474 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 -6.905 -7.215 -7.553 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 -0.854 1.010 3.723 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 -4.202 8.529 10.991 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 12.055 -2.318 9.216 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 -1.158 -4.925 0.488 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 -15.561 -14.090 3.428 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 23.414 14.230 8.167 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 2.148 3.757 -1.852 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 25.378 -7.308 17.989 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 -2.858 2.421 -2.784 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 2.233 -1.841 -5.147 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 11.196 -1.971 0.516 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 -1.351 -16.933 -9.910 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 -2.261 3.718 -5.917 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 -23.076 17.489 5.498 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 2.319 -1.069 -6.196 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 1.064 -1.578 -2.068 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 8.382 6.319 -6.663 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 16.893 3.271 -2.178 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 6.324 1.869 6.037 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 1.337 2.182 6.787 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 -9.040 2.797 8.128 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 2.801 -4.840 4.012 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 10.323 -26.911 18.811 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 -20.488 7.063 -23.720 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 4.103 -4.162 5.094 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 7.474 -11.871 2.973 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 -2.661 11.086 9.890 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 3.331 -5.659 -4.074 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 1.855 -6.607 -4.003 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 -19.459 -9.359 12.432 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 3.097 1.112 3.389 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 -13.729 3.489 13.267 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 16.554 -1.493 17.746 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 -5.839 2.870 6.018 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 5.761 -9.713 -13.158 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 -21.479 -6.493 4.958 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 0.099 -3.989 -0.895 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 -13.728 2.235 0.195 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 -6.360 0.342 0.057 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 0.474 -0.695 -1.171 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 27.326 39.388 -24.974 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 -2.056 16.718 -19.641 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 -4.395 2.442 -7.562 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 -8.586 12.902 -8.620 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 5.134 3.559 -2.104 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 5.751 -2.180 -1.147 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 2.704 8.860 -15.959 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 -6.097 -17.325 -5.795 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 1.360 4.932 0.717 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 23.943 -12.351 -5.011 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 7.334 7.063 -4.395 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 1.411 5.585 3.825 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 21.240 -30.029 8.683 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 -0.338 25.467 19.275 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 -10.105 0.434 3.052 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 -9.015 -15.035 -19.303 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 14.434 11.662 7.338 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 -2.274 -2.224 -2.393 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 17.289 21.307 -1.283 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 -1.689 -1.577 -3.952 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 -5.658 -0.288 6.330 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 -12.668 -17.464 11.925 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 8.113 2.385 21.039 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 -3.037 -3.587 -0.974 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 -21.871 -1.275 24.374 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 -27.171 4.032 -30.387 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 3.158 3.722 1.308 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 -0.876 -0.007 2.112 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 16.004 14.511 -1.557 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 1.597 2.470 -1.213 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 17.762 12.058 4.165 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 10.593 -14.525 5.913 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 -4.270 7.599 5.347 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 21.607 14.191 -10.301 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 -13.022 -22.670 17.192 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 2.405 4.747 -5.043 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 -2.942 1.499 29.007 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 -12.939 36.911 -4.905 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 1.350 8.012 6.202 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 6.154 25.395 7.805 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 4.980 -34.039 36.038 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 4.175 3.853 -2.668 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 -9.427 11.974 7.800 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 5.976 -5.578 -8.025 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 0.753 3.525 1.235 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 13.053 14.085 4.016 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 -11.086 -6.562 -2.494 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 3.091 8.183 5.292 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 4.988 8.273 -7.055 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 8.424 39.082 4.418 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 -4.115 -9.084 -0.017 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 1.770 -21.673 19.189 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 -27.676 14.882 -21.731 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 -4.230 -1.678 -0.854 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 0.549 14.085 9.480 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 -4.503 -3.459 8.257 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 0.526 -2.183 -2.214 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 -3.984 -34.041 12.785 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 2.643 -4.525 0.983 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 -0.868 -6.939 -0.698 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 3.978 28.830 -8.082 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 -7.747 0.441 -4.924 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 -4.488 -1.780 1.012 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 -8.611 0.166 -6.105 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 -8.492 18.540 1.243 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 9.437 -4.569 -0.502 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 12.219 -5.214 4.581 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 -4.334 -5.673 8.023 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 -1.893 4.748 -1.197 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 4.338 10.487 0.315 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 -3.443 -3.285 -5.404 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 -0.186 1.685 6.489 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 8.844 -9.263 9.573 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 -3.884 -0.385 -6.037 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 9.244 -1.416 3.686 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 1.280 9.004 12.436 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 13.403 -4.246 -0.460 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 4.484 2.161 -3.069 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 -2.931 -7.999 -11.818 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 1.700 12.739 -13.163 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 -4.623 -2.016 -3.923 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 0.095 14.633 1.998 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 -6.467 -17.847 -12.112 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 -1.808 2.957 -3.368 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 -3.995 7.695 -11.632 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 7.824 -0.328 -3.727 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 0.076 -3.188 -4.620 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 -4.848 15.461 6.401 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 -16.648 -5.002 0.593 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 2.240 0.842 1.484 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 4.592 8.151 5.335 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 5.719 -0.795 -3.515 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 -5.020 1.944 -1.201 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 14.295 12.476 8.856 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 9.021 -7.092 -18.035 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 -3.141 -3.558 -6.656 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 23.777 -13.209 16.051 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 3.574 -11.791 -11.587 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 -9.617 0.274 0.649 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 19.951 14.849 -12.762 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 15.021 14.084 -2.679 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 -3.467 4.546 -1.246 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 -8.027 15.861 6.208 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 12.214 -3.123 11.016 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 -3.209 -5.347 -4.431 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 -14.402 -8.682 -7.625 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 3.166 0.792 -8.668 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 0.354 -4.798 4.727 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 -10.043 -10.636 3.998 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 17.592 -7.254 8.524 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 4.978 3.797 -1.598 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 -26.423 13.042 -12.247 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 1.390 -9.721 -24.539 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 3.238 3.458 -2.847 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 -5.232 1.161 -9.119 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 -2.192 3.226 1.375 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 3.895 -2.073 2.625 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 -2.230 1.457 -2.492 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 2.233 -6.464 -1.169 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 -3.101 -1.476 3.444 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 7.642 7.957 -9.307 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 20.683 16.385 9.255 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 -4.536 -0.159 -3.075 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 -7.919 24.898 22.846 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 -2.202 -13.561 -10.817 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 1.607 -0.199 -2.180 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 -10.281 4.439 -11.102 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 -3.372 -10.893 21.755 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 2.361 1.474 -1.387 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 6.238 -1.145 -1.132 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 -27.482 1.710 -11.558 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 -0.567 3.383 1.181 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 3.127 0.639 -1.413 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 1.291 0.073 -3.980 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 5.006 -0.570 -1.729 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 10.982 7.958 4.495 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 -8.804 -11.268 -14.060 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 3.678 8.377 3.325 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 1.827 -38.364 -20.884 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 14.862 14.096 -10.240 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 -4.573 0.663 -3.879 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 9.013 -5.350 12.694 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 18.862 -2.323 -16.381 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 1.388 0.191 3.871 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 25.586 10.910 -0.984 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 -19.312 15.202 -0.038 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 -4.970 -4.850 -5.368 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 2.883 0.648 10.178 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 -1.903 12.451 11.757 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 1.716 -2.216 -4.012 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 -7.792 -3.692 -1.000 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 7.071 -1.749 -6.165 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 5.586 0.918 1.668 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 -26.102 34.062 -3.786 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 -10.345 12.861 -9.815 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 -3.278 -0.421 0.329 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 11.283 7.117 4.868 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 12.912 -9.261 -12.072 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 -0.349 4.639 3.828 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 9.129 -21.485 2.493 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 11.256 -29.841 0.254 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 5.909 -1.003 2.655 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 -11.119 8.519 -13.323 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 18.980 2.558 5.653 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 10.317 -5.460 -1.744 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -34.941 -12.411 -3.185 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 -5.621 -8.712 -1.554 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 2.841 1.140 -0.886 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 -8.381 30.529 8.623 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 18.113 -6.870 3.521 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 4.900 -0.684 3.953 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 5.515 -8.487 18.147 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 10.846 25.617 -31.518 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 -2.206 -1.668 5.374 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 -1.588 -7.054 -3.913 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 6.220 -4.262 3.971 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 3.142 -5.096 2.306 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 1.516 -2.967 -2.686 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 5.133 -11.152 3.042 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 -1.747 0.104 2.632 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 7.090 -5.434 14.192 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 -0.340 -0.882 3.262 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 0.925 -3.772 -3.090 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 -0.979 -39.444 -0.885 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 -22.155 10.984 5.276 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 -1.638 -2.185 0.631 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 -4.697 1.847 7.135 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 3.472 2.139 -1.973 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 -2.639 4.248 0.065 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 -1.876 2.008 1.436 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 -1.423 -1.464 13.286 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 5.385 5.237 -1.629 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 7.260 7.371 -8.576 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 -2.346 3.819 7.606 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 0.085 -1.904 6.876 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 -8.475 -5.409 6.464 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 1.834 -2.038 8.601 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 -0.022 3.728 4.610 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 -0.924 20.166 11.745 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 2.412 14.828 14.720 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 -0.516 -3.061 9.155 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 10.494 -13.489 7.130 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 44.491 -11.187 26.046 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 1.804 1.141 -1.054 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 19.922 -0.168 2.496 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 -1.638 3.153 -17.965 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 1.637 -3.176 -1.960 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 16.437 0.256 -4.927 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 -15.246 -20.828 28.584 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 1.868 -1.348 -6.519 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 23.237 -6.998 -1.007 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 -9.941 8.408 -2.567 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 -4.211 -1.136 -4.231 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 10.192 14.381 -15.796 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 -0.962 1.626 -3.309 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 3.827 1.451 -6.647 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 12.046 14.213 -8.343 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 7.086 3.088 -7.325 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 0.852 7.204 -1.926 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 -0.738 2.003 -23.505 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 -7.376 -4.250 5.309 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 -4.091 7.264 -3.554 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 0.465 21.109 -17.241 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 -11.079 -5.221 -19.423 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 -6.686 6.629 -2.556 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 -2.378 12.908 15.075 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 3.835 -4.148 4.127 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 2.830 -4.210 0.136 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 -13.822 -1.221 22.297 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 -5.889 8.231 6.743 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 1.511 -6.368 4.020 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 15.215 12.309 6.098 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 -15.497 -0.757 -19.669 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 5.318 3.735 2.702 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 8.454 -7.388 11.290 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 -11.499 5.596 5.749 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 1.690 4.974 -7.253 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 -19.527 10.391 -13.604 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 -9.584 0.113 -5.995 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 9.112 5.234 -6.384 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 -5.846 -10.537 -10.832 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 6.125 21.075 -14.211 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 7.570 -0.550 -7.853 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 -10.086 18.285 12.107 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 11.694 -7.790 -16.003 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 -4.001 -1.922 -4.591 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 2.816 -8.959 -4.712 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 -4.213 1.401 -27.554 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 0.137 -0.836 1.344 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 3.557 6.558 -7.804 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 -16.778 -2.195 9.961 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 4.939 -1.242 6.281 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 13.079 -31.134 -17.576 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 1.304 -2.219 11.859 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 0.628 -1.139 0.225 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 3.071 10.647 -7.519 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 -0.085 4.613 -2.370 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 0.396 0.671 -2.349 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 5.000 3.611 12.464 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 -8.766 -4.496 -31.746 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 3.593 6.563 -2.824 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 8.159 -0.242 -14.565 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 2.447 9.534 0.519 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 -3.530 -10.599 -2.657 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 -4.997 -9.360 -1.626 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 14.567 2.788 0.945 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 -5.019 -0.989 -6.494 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 19.932 -7.122 6.300 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 -1.889 -15.865 -8.824 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 0.676 1.291 -3.388 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 1.949 9.288 -3.357 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 8.718 20.009 4.907 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 1.153 -0.760 -1.923 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 7.464 -25.145 -5.877 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 -6.552 17.241 21.201 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 4.793 0.884 1.160 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 -2.885 29.480 -15.066 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 -11.001 -16.627 -12.507 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 -9.348 -0.492 4.328 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 -4.083 -6.604 -25.679 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 16.763 3.022 15.958 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 2.668 5.750 -3.336 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 -5.063 -1.724 5.748 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 -1.811 0.895 -6.138 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 -4.757 -4.382 2.097 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 2.016 13.231 18.310 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 1.919 -10.067 0.730 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 0.168 4.859 -3.921 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 -12.362 8.385 3.241 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 -21.121 -5.103 1.542 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 -9.460 -1.926 4.437 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 -17.948 -7.789 1.507 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 11.522 -5.712 3.583 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 -0.089 -3.222 3.284 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 0.793 -14.659 26.842 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 -27.323 1.288 -12.084 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 -6.464 -5.520 -3.044 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 5.926 -3.814 -2.448 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 5.578 9.423 -3.655 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 -3.526 -1.939 -0.441 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 8.942 14.655 21.403 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 -11.631 -16.165 -17.534 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 2.528 -2.958 1.023 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 -12.882 3.909 -21.614 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 2.026 8.737 16.975 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 -1.869 0.349 -8.151 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 -6.145 -4.221 -19.603 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 -2.715 4.434 -25.203 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 -2.871 2.191 -0.097 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 7.427 -6.898 5.996 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 2.846 4.128 -13.564 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 -5.117 -2.020 -4.151 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 -8.173 -11.063 9.541 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 -4.545 -0.175 -6.335 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 5.480 -2.594 5.531 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 -5.863 37.300 6.866 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 14.907 3.762 6.577 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 -4.614 4.218 -6.585 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 4.870 9.759 -18.818 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 10.993 -5.006 0.143 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 1.397 1.890 -6.188 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 4.303 -13.576 -13.569 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 -8.263 17.965 2.811 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 -4.928 3.226 0.332 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 -9.837 -3.590 -11.026 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 -13.751 5.495 -7.101 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 -1.772 -5.486 -4.130 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 -0.128 16.163 -7.783 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 7.144 -16.571 -16.403 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 5.099 1.066 -4.470 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 6.494 -19.945 -7.041 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 7.862 3.357 2.112 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 2.484 -3.002 3.933 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 -0.700 -1.853 -1.975 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 -1.477 -2.219 -11.546 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 -0.795 3.125 2.900 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 -0.522 1.218 1.131 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 -2.624 4.121 5.733 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 -5.690 -0.858 8.223 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 -23.108 9.211 16.908 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 -13.295 -9.969 -9.946 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 2.428 5.387 -12.927 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 -10.539 2.255 -8.374 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 -39.954 -14.863 9.254 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 -3.205 5.405 2.363 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 5.233 -2.953 4.560 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 1.424 13.906 -5.099 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 2.895 2.476 -5.039 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 -18.393 19.243 -3.246 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 -0.310 -10.099 0.271 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 -1.485 -1.120 -0.153 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 24.863 -8.445 -18.576 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 -10.363 3.755 -7.677 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 -3.633 -2.021 -2.235 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 -4.092 -10.095 7.683 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 6.276 9.037 -9.965 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 0.725 0.231 7.459 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 -2.924 10.959 -1.235 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 10.673 -4.831 1.008 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 -4.979 12.204 4.360 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 -4.381 2.142 13.293 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 -4.018 5.522 16.417 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 -0.750 2.305 1.800 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 3.542 -3.371 7.879 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 10.376 2.775 3.884 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 -2.805 0.066 0.657 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 31.840 21.874 2.607 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 -20.809 -20.188 -31.438 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 3.351 -2.123 4.516 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 -6.853 -5.006 5.876 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 1.212 7.911 0.960 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 -0.012 -7.082 -2.143 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 -13.136 -0.374 3.912 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 -9.764 -7.082 15.041 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 -2.963 3.504 0.082 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 2.953 6.111 -18.589 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 6.108 6.221 -8.732 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 2.744 2.509 -3.874 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 -14.027 -5.993 -24.469 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 9.884 4.728 0.761 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 -0.079 0.600 6.907 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 -2.280 0.498 13.984 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 3.515 -3.182 -0.256 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 2.283 4.145 -0.210 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 0.097 -5.608 2.900 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 0.978 -11.185 3.034 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 -5.600 -0.445 4.037 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 1.933 -0.286 -2.728 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 -29.392 2.876 12.129 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 -2.812 -0.070 -3.663 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 4.569 6.382 -8.891 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 7.187 0.553 -23.668 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 3.761 1.725 -4.811 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 -2.888 3.565 -11.848 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 9.285 -6.081 -7.574 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 0.026 -1.873 -2.672 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 4.152 6.735 3.426 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 3.696 3.440 7.260 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 -6.075 -3.171 -3.392 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 -13.594 6.376 -2.423 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 -1.864 3.425 -13.393 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 -2.421 7.511 -2.741 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 0.606 2.367 -11.836 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 0.263 1.963 -0.235 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 -0.425 7.958 0.883 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 -2.743 19.084 10.498 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 4.947 -9.079 -7.654 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 -1.680 4.485 -0.181 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 -14.333 9.821 18.530 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 -13.448 5.123 -9.412 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 0.009 -1.084 5.357 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 -3.884 11.296 0.382 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 8.011 -3.821 15.043 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 6.163 -0.218 -7.089 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 2.080 -7.269 -15.903 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 22.487 -6.527 -3.967 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 -0.225 1.525 -0.890 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 -8.376 -8.915 -9.688 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 5.460 11.216 -8.190 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 -1.900 -1.537 -1.974 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 -11.455 3.207 -2.783 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 -29.566 -0.303 6.913 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 -3.929 1.913 1.113 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 5.472 16.001 -17.101 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 -0.774 5.728 -0.775 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 -0.141 -3.300 -3.511 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 8.926 -10.779 -7.356 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 -25.903 7.100 8.279 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 2.533 0.409 -3.547 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 13.896 15.580 -2.238 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 -0.926 -4.216 -3.497 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 0.997 -1.142 -0.090 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 17.420 0.179 -1.411 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 2.414 -5.676 -11.952 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 -3.491 -0.815 5.351 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 -6.184 -1.896 -2.742 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 6.356 1.128 40.204 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 -3.037 8.204 1.751 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 -6.500 21.760 -16.524 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 20.355 4.194 2.128 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 -0.720 0.071 -1.043 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 10.102 6.562 -15.513 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 -11.758 -16.047 -17.724 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 -0.874 2.700 2.306 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 10.233 6.232 -1.409 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 7.042 5.014 -1.062 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 4.722 -3.703 2.654 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 -13.144 3.633 -9.611 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 0.211 4.635 23.094 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 5.081 2.658 2.516 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 9.539 12.951 11.927 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 -4.483 -0.218 -0.175 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 2.497 -5.078 -1.719 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 -6.525 20.950 -14.817 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 -25.528 -0.422 5.884 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 -1.971 8.491 3.709 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 3.121 20.646 3.769 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 -15.100 12.031 2.918 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 -5.367 2.453 -0.728 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 -14.038 4.408 7.147 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 13.094 -2.042 0.012 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 4.590 -2.547 -2.182 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 -15.693 -8.139 1.076 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 9.574 -6.936 -9.941 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 3.925 -0.777 -6.082 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 25.034 2.922 1.092 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 -3.094 2.440 3.225 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 5.584 -2.642 0.472 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 2.150 -19.191 7.304 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 0.160 -5.074 -2.358 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 0.285 -2.382 0.052 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 2.937 -1.094 0.965 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 1.938 -3.037 6.395 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 -4.216 2.309 -3.856 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 -3.799 3.412 -0.649 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 -9.898 11.980 -5.898 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 -1.059 -3.520 1.631 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 8.838 2.687 8.023 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 -12.108 -10.958 2.443 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 2.658 3.149 -2.680 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 -13.593 -10.537 -7.207 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 5.536 13.170 4.164 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 -2.680 0.568 4.001 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 16.869 -8.579 -6.516 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 12.462 -7.253 -4.020 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 -0.525 1.597 1.725 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 4.712 9.426 2.422 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 -4.219 -4.374 -8.645 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 -1.579 -1.162 4.118 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 -12.290 1.339 2.312 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 4.071 3.772 10.006 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 -2.419 2.824 -5.504 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 23.996 -2.865 -6.168 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 -19.127 -0.940 -10.624 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 -0.972 -2.609 3.167 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 -10.791 -3.545 8.965 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 -7.542 -5.476 5.977 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 -7.095 -2.599 2.767 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 2.227 9.926 2.743 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 -9.005 -4.192 2.796 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 -0.636 -1.924 -1.948 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 -2.108 -2.375 -2.628 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 -3.491 -4.403 -4.584 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 0.684 3.001 0.822 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 -14.287 7.362 -10.328 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 1.467 -1.734 3.517 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 4.717 -1.846 3.144 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 16.789 9.908 -8.377 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 2.420 -17.458 -5.957 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 6.790 -0.382 2.923 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 2.050 0.976 6.601 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 -7.013 2.887 -20.356 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 -2.762 -0.718 -3.375 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 -0.638 -14.061 -2.162 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 -15.119 -0.223 -8.255 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 -1.927 -0.455 0.156 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 5.800 17.088 17.653 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 19.744 -18.739 -6.931 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 7.822 3.890 -1.753 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 -23.901 -13.701 4.115 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 1.692 -4.177 2.507 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 2.033 1.874 -2.605 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 -2.557 26.079 -56.675 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 -11.263 -7.605 -12.087 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 -3.775 -0.930 -1.798 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 -0.487 7.171 -3.756 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 -5.255 -5.160 8.918 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 0.310 -3.344 -3.211 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 -9.640 -11.488 15.144 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 -3.267 -4.985 1.839 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 -2.985 4.373 9.475 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 11.755 18.156 0.973 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 -23.569 16.060 5.475 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 3.226 2.162 4.842 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 -5.482 -0.744 1.611 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 1.322 6.480 8.165 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 6.410 7.230 3.511 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 -3.995 1.708 -22.249 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 17.594 11.688 24.551 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 2.363 1.677 0.091 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 -7.135 17.867 13.800 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 23.826 4.043 3.570 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 -9.351 8.100 2.884 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 -6.572 8.100 0.370 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 9.360 -18.365 -20.360 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 -4.963 -1.657 3.573 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 -5.271 -3.954 -16.106 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 -20.026 6.362 13.921 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 1.137 3.564 0.956 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 -1.544 -16.828 -6.918 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 -0.487 -4.934 -1.646 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 6.661 3.042 3.440 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 6.883 3.974 -0.263 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 18.146 7.909 17.599 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 -0.832 5.352 -0.632 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 0.730 11.550 3.183 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 -7.758 2.294 16.926 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 -2.185 -3.305 5.471 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 -6.262 -7.652 0.313 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 -5.711 -3.972 14.193 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 1.276 6.032 -0.030 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 14.718 25.939 -20.678 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 20.213 -23.003 3.279 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 3.293 1.202 3.739 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 2.202 -9.357 12.830 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 3.380 10.666 13.224 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 0.710 2.334 -1.435 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 -0.846 -1.022 5.852 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 -1.506 7.949 -0.150 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 2.652 -4.125 0.933 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 -6.265 -5.611 2.656 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 4.054 0.120 9.040 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 2.794 -2.155 -0.235 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 11.962 -9.300 2.689 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 2.576 12.951 -7.566 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 -3.501 9.387 -2.122 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 42.632 -15.360 35.216 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 -12.200 2.152 0.081 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 -3.694 2.315 0.107 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 0.953 10.064 -1.088 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 -0.557 -1.354 14.575 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 -3.527 -1.030 -5.624 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 5.036 4.425 -19.320 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 -12.463 3.119 25.173 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 -6.144 -2.203 -2.468 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 -9.926 -1.595 10.680 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 -12.900 8.397 -0.011 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 2.021 5.064 -10.250 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 -14.133 -9.886 -7.519 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 6.689 8.880 -11.391 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 -9.680 -1.637 -3.786 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 -12.596 -22.260 30.443 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 -10.341 6.951 -14.735 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 2.079 -5.074 -7.534 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 -11.313 -3.940 -13.728 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 -6.708 -18.697 -4.991 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 -0.853 -2.394 -1.887 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 2.990 4.137 -11.017 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 -0.737 19.807 -21.219 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 -4.658 -0.830 1.319 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 -11.933 -0.198 0.420 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 0.117 9.044 -3.025 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 -3.330 -4.561 0.527 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 -19.887 -8.052 -48.579 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 -24.710 -11.109 -6.166 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 -2.895 5.767 2.311 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 -16.272 5.040 16.476 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 11.796 -1.749 26.316 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 -1.236 0.922 4.496 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 11.734 -10.108 5.615 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 -3.431 0.036 -3.543 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 -4.926 0.446 -12.595 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 -32.302 -9.911 -8.576 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 -11.063 -8.680 -14.454 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 -1.087 -5.800 -3.739 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 -11.577 1.227 -2.424 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 -27.819 14.980 23.635 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 -7.818 -2.031 1.813 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 3.989 1.797 0.693 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 -11.063 2.905 0.749 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 3.360 2.540 4.906 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 1.773 -1.822 1.950 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 0.518 3.815 11.243 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 1.865 1.574 -3.440 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 -4.939 17.892 -0.469 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 7.889 2.405 8.630 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 -4.265 -0.653 8.130 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 -7.796 22.076 31.542 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 10.038 -22.466 28.081 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 10.971 -6.017 -0.745 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 10.555 -3.366 -16.180 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 21.659 12.132 -17.767 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 -2.522 1.109 3.107 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 -2.310 1.037 2.648 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 10.068 8.760 -3.502 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 -0.014 -0.593 -6.048 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 -2.785 -1.092 -6.595 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 4.270 -1.840 0.308 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 -3.850 -4.570 1.753 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 -8.987 -12.685 -1.645 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 9.462 -5.138 -12.661 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 1.702 0.384 -8.997 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 -1.172 -2.959 -1.590 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 -2.638 -7.089 1.862 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 -1.724 1.737 3.883 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -18.841 -11.406 24.227 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 18.643 10.603 10.400 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 2.676 0.112 1.851 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 1.651 -0.573 1.998 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 -1.250 -3.335 2.825 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 -0.534 4.062 -7.892 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 -8.186 0.232 -1.451 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 -0.003 15.415 11.369 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 1.297 -3.289 2.078 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 -11.976 -12.782 12.290 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 4.966 -5.182 3.034 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 -1.618 0.788 5.080 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 -10.926 0.456 -5.710 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 -2.611 26.855 -4.158 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 4.349 0.549 3.775 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 -14.733 19.085 4.287 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 3.070 -2.488 1.861 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 -6.933 0.590 5.600 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 -5.029 -1.438 24.381 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 -7.818 1.548 -6.972 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 5.124 1.759 2.101 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 6.162 -1.873 6.675 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 -0.536 3.882 2.919 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 5.260 3.848 -1.046 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 -9.166 -8.725 0.470 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 4.668 -0.874 10.734 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 -0.376 -0.509 4.853 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 14.318 15.493 -4.663 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 2.806 -1.814 2.185 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 0.643 -4.563 -2.201 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 -5.636 24.855 11.787 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 -2.072 -1.093 7.073 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 0.671 1.092 7.947 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 -15.859 -0.100 2.579 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 -2.275 -7.854 15.550 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 -3.540 1.526 3.565 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 12.597 4.292 -5.882 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 -14.637 1.179 8.906 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 -0.863 -2.560 -2.707 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 5.630 -30.373 -0.660 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 13.589 6.795 -26.157 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 4.626 2.294 -1.780 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 30.818 13.115 -15.147 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 -14.689 4.061 6.582 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 8.073 3.041 0.165 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 -2.170 -37.904 1.343 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 -6.497 23.613 -12.083 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 2.895 -4.079 -2.211 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 -3.777 -7.927 -7.533 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 11.663 -9.252 8.735 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 -2.021 -2.077 -0.413 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 -8.569 -1.885 2.523 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 -35.489 3.470 -16.933 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 8.387 -2.041 -5.872 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 5.371 -3.556 -6.064 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 12.822 0.222 -5.252 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 1.452 2.981 5.523 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 9.001 -11.243 10.243 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 0.142 2.691 -2.894 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 -3.069 -5.968 -1.086 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 -1.481 -12.664 -2.469 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 20.551 3.658 43.354 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 -4.035 3.523 -0.954 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 -7.583 16.808 -5.077 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 6.284 -1.000 6.140 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 9.404 2.446 6.902 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 26.577 17.496 -1.484 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 1.615 -0.749 12.851 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 7.227 -3.449 1.303 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 -0.267 -18.380 1.971 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 13.092 0.445 16.940 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 -0.408 8.332 3.935 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 -20.348 10.381 11.046 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 -13.675 -17.755 -0.753 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 6.443 -3.159 -0.542 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 -9.752 5.119 1.741 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 6.224 -16.972 -19.839 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 2.885 1.771 1.524 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 10.753 6.390 23.190 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 -13.393 18.430 -1.152 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 -0.201 -0.809 1.502 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 23.119 -17.017 -1.400 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 -12.077 2.639 3.525 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 5.683 0.061 3.472 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 13.301 8.455 -14.789 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 -5.337 2.107 1.906 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 6.172 0.558 4.264 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 15.079 2.612 0.394 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 -0.493 5.602 -0.669 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 -0.700 2.607 -2.542 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 7.814 9.595 10.519 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 1.222 4.607 2.762 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 -0.476 9.080 -2.196 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 11.227 -2.593 -1.244 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 -10.982 0.288 1.295 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 3.254 0.592 0.493 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 -44.194 -0.797 5.884 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 12.012 -10.571 -42.435 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 -3.201 -3.025 -1.496 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 -2.254 -2.520 -13.867 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 -8.645 -15.843 11.744 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 7.552 0.728 -3.047 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 -4.379 -8.298 14.526 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 -17.431 -2.234 -4.334 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 -5.720 0.035 0.260 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 10.432 13.700 6.711 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 27.343 -23.159 -6.153 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 2.760 2.519 -2.441 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 -7.704 -2.965 17.007 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 2.774 -20.359 -19.200 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 3.590 -6.078 0.055 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 -9.090 -9.398 -8.393 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 -0.567 1.683 0.767 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 3.401 2.948 -3.505 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 -7.201 19.347 5.464 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 -5.976 -15.048 -0.919 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 9.294 -4.144 -0.788 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 -0.182 -14.792 3.498 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 13.216 3.653 -7.081 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 2.927 -1.574 1.991 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 6.609 -3.855 -0.627 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 -14.955 8.454 17.270 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 -0.169 2.093 -6.471 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 -35.523 4.910 3.891 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 15.246 -13.282 -17.333 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 -1.783 0.441 -1.126 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 -10.993 -5.530 12.235 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 8.642 -0.633 20.133 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 2.025 -3.649 3.104 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 -8.818 1.789 33.494 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 -10.585 5.888 23.070 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 -0.024 1.133 2.660 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 -5.400 -6.685 -4.100 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 11.601 -3.387 4.490 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 2.934 -5.281 -0.231 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 -3.472 -9.021 -2.327 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 6.938 -6.680 -0.377 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 8.216 -0.044 0.631 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 -19.931 -18.058 5.019 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 -11.014 -11.286 3.716 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 -4.412 -1.794 -3.098 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 -5.877 -3.990 -7.592 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 1.197 -4.373 9.128 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 -0.154 -0.663 -4.600 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 29.776 5.176 -18.792 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 -16.406 12.585 -1.253 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 -1.657 5.289 2.552 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 4.572 -1.696 -9.596 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 -4.604 14.964 30.974 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 -2.993 1.599 -3.089 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 -8.867 7.542 -17.094 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 -8.932 27.157 23.203 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 -3.835 4.928 -0.761 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 25.304 -6.006 -17.359 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 2.825 11.892 -8.598 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 -0.125 -8.327 2.493 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 -7.258 -8.211 2.818 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 -24.523 27.664 8.316 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 -3.857 -2.875 6.567 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 -21.179 23.329 11.517 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 -0.245 -11.884 5.791 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 2.511 -4.499 5.574 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 5.133 -17.275 -4.355 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 13.464 -14.218 7.599 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 2.867 -0.718 -4.693 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 3.631 -1.786 8.509 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 6.989 15.167 20.205 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 1.371 -2.019 -2.722 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 -5.500 -6.085 -24.700 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 -2.527 33.114 1.064 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 2.910 -2.499 -5.334 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 -0.040 -2.579 8.544 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 -8.099 -12.583 -18.660 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 5.809 -2.858 11.907 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 8.382 -16.057 5.310 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 2.176 -1.772 13.708 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 1.902 -1.841 0.495 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 -4.390 -8.069 5.406 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 -3.322 -2.528 1.328 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 1.035 1.217 4.265 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 4.013 5.323 9.484 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 -7.507 -20.861 -3.017 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 -4.905 -2.540 -1.245 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 -10.814 -2.056 -0.168 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 -5.612 -1.269 -4.594 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 -1.311 2.785 2.623 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 -2.273 4.054 13.063 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 -1.253 5.183 7.555 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 -4.129 5.690 -2.874 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 -9.629 40.004 11.780 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 -7.836 -4.218 15.586 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 -2.752 -6.034 -0.676 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 9.663 -9.255 -16.531 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 0.051 4.874 3.560 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 -0.114 0.500 4.022 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 7.063 1.696 -6.201 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 -6.637 0.589 12.152 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 -5.562 -0.640 2.407 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 -3.972 -1.209 1.049 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 -6.887 -14.531 21.565 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 4.135 4.266 2.349 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 7.645 -23.594 -5.019 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 9.807 3.876 8.119 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 -2.068 0.426 2.613 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 15.349 -4.369 -11.333 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 -4.695 10.995 -5.063 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 -2.376 2.583 -0.083 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 5.872 -2.280 1.944 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 1.014 10.820 -8.284 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 -3.871 -1.781 6.875 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 15.792 17.598 -2.812 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 3.625 8.259 -1.757 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 -1.794 -0.877 -0.753 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 11.090 -9.768 1.905 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 -8.540 15.310 4.574 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 -7.637 0.545 5.569 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 -5.883 -16.708 -27.621 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 -7.140 4.521 19.143 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 -1.318 1.418 1.920 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 -25.372 -10.728 8.814 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 5.233 5.537 -0.038 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 -0.384 4.329 1.119 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 -4.456 5.207 -2.590 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 13.549 11.022 2.831 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 -1.839 4.888 0.843 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 -2.432 0.728 8.180 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 8.035 21.330 -10.784 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 -4.670 4.742 1.349 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 22.261 -6.918 -9.486 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 -0.668 22.822 1.443 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 2.257 -7.262 2.192 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 -16.726 16.055 12.750 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 -4.717 -11.694 14.251 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 2.572 -3.019 2.894 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 8.212 5.358 -24.999 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 23.324 -16.069 -1.341 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 -2.127 0.737 1.492 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 6.733 -16.276 2.692 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 20.609 14.122 -14.680 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 2.803 -4.724 2.212 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 5.687 -1.460 1.258 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 4.419 39.705 -25.079 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 1.977 -2.813 -0.075 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 -12.297 -8.103 -15.309 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 12.514 -3.435 0.982 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 2.921 2.752 2.902 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 -4.266 -4.961 4.611 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 -13.529 -20.432 1.905 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 3.322 -1.597 3.119 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 2.447 21.830 4.093 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 3.355 3.441 12.250 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 -8.704 -3.564 4.125 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 -35.190 -14.077 -12.334 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 3.107 2.629 14.118 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 -0.569 -6.990 3.152 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 13.522 -4.116 1.752 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 -13.752 22.445 -8.925 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 -2.809 -6.052 -1.072 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 -16.654 -1.818 0.519 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 -6.281 -8.713 23.630 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 5.431 0.778 4.594 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 13.418 3.339 15.116 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 15.928 -3.570 -5.423 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 5.394 3.300 -1.711 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 -4.372 13.156 4.334 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 8.971 -7.837 -9.505 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 -4.870 -6.201 -3.343 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 5.514 -23.183 -9.358 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 -2.908 0.623 -6.999 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 7.690 1.628 -1.861 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 -0.089 -19.800 -21.081 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 6.932 2.452 -0.348 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 -0.961 4.325 -4.497 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 10.631 -1.620 0.573 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 14.666 9.636 -3.541 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 3.341 0.670 -1.323 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 11.123 17.104 -1.855 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 -3.666 -12.574 -9.737 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 2.341 -6.468 -0.587 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 -3.524 2.912 3.759 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 9.337 -18.876 -6.634 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 0.507 -0.174 -3.719 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 -8.602 -9.287 -5.067 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 -1.166 3.975 -6.731 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 4.408 -6.598 -3.375 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 -7.397 -7.618 -10.045 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 -3.873 -12.833 3.086 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 2.108 0.528 -2.314 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 12.713 23.575 7.939 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 -13.440 1.640 5.208 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 -2.778 -5.467 -1.089 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 2.247 -1.166 0.483 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 13.368 3.120 3.311 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 -9.961 3.246 0.289 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 -5.633 -1.079 -4.207 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 -14.942 7.073 -15.051 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 -2.391 -1.413 -4.121 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 -2.302 -3.987 -0.656 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 -6.845 35.603 -0.602 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 -8.913 -1.963 0.496 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 3.278 1.195 -9.778 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 -9.868 25.238 -23.648 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 -5.786 5.630 -0.151 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 -8.279 1.772 -6.103 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 -9.315 -4.941 1.146 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 4.471 -1.570 -5.182 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 -8.861 -6.445 -0.495 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 2.163 -5.956 -0.083 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 -0.954 1.268 -4.886 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 -18.296 13.221 -20.824 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 -3.910 3.156 -14.395 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 -0.976 0.777 2.312 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 1.809 -4.345 6.104 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 -11.994 12.721 8.957 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 -4.080 -0.898 -2.445 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 -8.448 0.620 1.478 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 -7.929 -6.568 -2.401 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 0.881 4.561 -0.797 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 -25.718 -35.906 6.774 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 -9.245 -12.753 2.891 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 1.394 -0.657 6.984 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 -11.969 0.044 16.861 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 12.901 0.635 3.881 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 0.404 -3.839 5.130 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 5.708 -16.862 15.981 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 -6.836 0.845 -2.338 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 -3.153 -0.388 -1.734 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 6.743 27.283 -2.868 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 -3.964 1.557 19.859 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 1.663 4.869 -0.398 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 -20.718 -10.646 13.576 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 -0.312 3.995 0.731 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 1.123 -1.642 -3.408 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 15.430 3.084 -2.090 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 4.842 -8.852 20.620 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 1.755 -1.387 0.656 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 -5.669 -16.569 -9.191 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 -2.264 -9.205 -9.436 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 -0.515 -3.531 7.863 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 -4.375 -2.440 10.952 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 -1.304 -2.252 6.033 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 -3.163 0.928 0.755 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 13.955 7.423 -3.313 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 -13.660 6.229 -10.761 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 1.901 -2.040 -0.395 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 -4.119 20.997 5.413 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 1.559 -19.691 -5.674 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 5.963 2.379 1.506 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 12.887 -7.806 4.536 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 -0.619 -8.084 0.446 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 -1.630 5.297 -4.498 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 -4.092 4.481 3.232 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 7.391 -1.124 -7.601 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 -2.823 -2.957 4.424 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 10.750 -9.794 7.475 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 5.099 -5.335 5.741 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 -8.709 3.221 4.249 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 -8.891 -6.265 -20.349 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 -2.342 21.942 11.845 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 -6.177 3.297 -2.512 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 -18.868 30.961 0.828 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 -13.737 9.395 -2.848 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 -4.254 -7.233 -0.375 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 16.354 -9.248 -24.137 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 -9.998 10.192 21.595 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 0.269 -5.131 -3.521 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 -7.482 -3.846 -5.621 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 3.121 -6.464 -8.876 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 0.180 11.793 6.825 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 -23.165 -14.175 0.742 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 7.619 12.676 -0.593 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 -1.884 1.208 -1.851 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 7.507 -12.956 -5.480 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 -17.356 1.074 -15.841 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 -0.041 5.406 0.119 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 8.927 2.619 13.306 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 10.137 11.335 -6.466 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 -3.747 -4.240 8.257 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 -1.044 -8.721 -18.478 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 -17.756 0.195 -10.341 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 1.598 8.635 5.206 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 -1.342 -2.955 7.275 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 12.368 11.071 10.490 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 3.074 0.072 -7.259 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 -28.959 14.077 10.030 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 21.141 -26.946 1.875 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 4.388 -1.997 -1.493 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 -7.370 0.067 3.524 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 -5.123 -3.579 -1.327 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 1.451 -6.003 -1.110 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 -0.340 -8.252 7.340 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 -0.464 -8.111 -2.654 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 -0.602 -2.460 -3.058 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 -13.836 20.294 -3.185 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 1.833 -7.275 -1.981 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 -4.951 -6.986 -1.475 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 -14.519 1.448 -20.088 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 -7.024 -6.022 -2.676 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 1.821 1.626 5.885 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 -2.016 -0.865 -5.579 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 2.275 3.086 -1.660 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 4.115 1.177 -3.692 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 -2.566 14.005 30.163 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 6.551 -17.833 0.834 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 -5.505 3.302 0.515 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 2.243 8.713 -1.483 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 -6.857 3.324 6.770 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 4.170 -0.332 -9.380 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 -5.068 12.029 -0.652 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 7.508 -7.645 -5.853 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 -7.617 7.736 -5.493 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 -4.356 -3.279 -19.113 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 -25.057 5.659 -0.992 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 7.234 -2.302 -1.193 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 7.937 0.406 0.406 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 3.071 -0.935 -2.874 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 -2.157 2.848 2.679 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 23.862 6.394 13.368 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 13.520 24.140 -27.558 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 1.322 7.313 -11.879 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 18.284 -10.099 11.733 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 -7.225 8.765 -5.073 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 -4.972 1.188 -6.543 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 -2.381 19.815 25.351 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 15.109 -19.779 -1.592 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 3.824 -3.690 5.233 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 1.566 -10.777 4.945 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 4.997 1.175 3.469 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 5.189 3.488 -1.950 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 -22.160 18.080 16.470 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 25.484 15.093 22.959 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 -4.387 2.358 -2.808 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 -9.169 -5.512 -13.728 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 20.271 0.780 26.390 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 -4.792 -0.510 -1.087 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 2.283 21.723 34.998 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 -3.378 11.444 0.230 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 1.051 8.192 -0.875 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 -11.358 -23.763 2.787 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 23.490 27.372 45.959 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 -2.078 3.020 6.842 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 -5.875 -9.761 -1.485 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 9.098 -0.422 20.962 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 3.620 0.081 -0.812 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 3.866 6.194 -5.954 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 17.930 10.519 -0.971 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 0.486 -0.209 2.133 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 6.386 -2.036 11.589 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 -15.763 -36.522 -15.064 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 0.238 -3.561 -4.599 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 -0.853 2.573 19.895 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 -2.817 0.868 -0.005 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 -4.122 4.022 2.555 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 -2.826 4.273 2.881 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 -17.156 -6.992 -1.648 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 -6.368 1.009 -4.154 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 -8.986 6.319 -5.786 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 -12.263 -7.052 -9.183 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 -2.519 -2.979 0.103 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 5.781 -17.658 1.096 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 4.403 -19.245 -1.679 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 6.011 -2.458 2.112 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 -1.962 -3.799 0.759 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 8.897 -7.642 8.081 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 -2.240 -5.498 -4.864 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 0.416 -4.898 -7.583 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 -9.317 -6.518 -11.797 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 1.961 -4.699 1.097 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 18.140 -9.713 -14.697 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 9.711 -8.033 0.705 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 0.639 -2.178 -2.707 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 -0.354 -3.923 -3.869 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 -11.696 2.262 0.627 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 3.234 3.473 -2.647 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 -3.905 4.800 23.341 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 3.057 -4.291 1.944 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 1.029 -5.737 0.952 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 -12.515 -8.500 18.127 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 -3.076 1.474 0.425 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 4.255 -4.802 -0.831 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 19.267 -3.652 11.479 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 -0.743 -9.815 25.981 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 -1.123 -1.039 6.474 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 4.922 -33.853 7.462 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 -6.418 -21.113 -16.610 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 7.232 0.814 -5.460 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 9.124 -1.801 -2.870 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 2.471 6.241 -9.730 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 1.925 1.157 -0.256 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 18.355 -9.259 -7.164 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 -10.712 -13.873 6.592 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 1.070 -3.191 4.164 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 -21.073 17.914 -3.196 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 -46.378 0.941 3.405 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 0.113 4.154 -2.074 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 1.564 -13.941 0.176 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 4.646 5.692 -19.636 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 -2.810 -1.176 1.065 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 -2.392 10.976 0.669 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 1.359 -10.489 -2.423 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 -0.677 -2.843 1.842 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 2.553 5.743 15.388 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 -10.039 3.721 -0.131 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 -0.629 -2.554 -3.810 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 0.589 -5.924 -2.461 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 -2.196 9.640 -7.772 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 -5.211 0.846 -2.753 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 -7.602 1.550 3.804 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 0.874 -2.662 -12.202 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 -3.421 -3.031 -0.904 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 -4.764 0.355 17.564 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 8.953 -15.116 3.203 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 -0.645 3.177 -0.381 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 -11.000 -3.996 14.109 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 0.062 2.150 5.205 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -2.589 3.233 -1.096 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 3.261 5.510 -6.223 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 -5.059 -3.104 0.631 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 8.847 2.518 -5.066 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 5.942 2.135 8.457 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 -10.502 17.367 5.802 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 -0.098 -2.702 1.086 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 -1.185 8.203 16.963 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 0.138 -19.634 -22.126 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 0.847 -1.194 2.075 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 21.814 5.318 19.203 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 13.258 5.941 -4.067 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 -1.578 -8.404 3.113 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 -24.577 -3.801 0.322 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 -9.499 -12.865 3.129 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 -2.250 -8.106 -5.636 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 -23.266 -6.214 2.159 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 11.212 3.764 9.229 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 -4.792 -1.072 5.150 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 -10.366 -19.793 0.431 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 -6.894 -19.104 -20.946 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 2.000 2.353 -1.054 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 17.228 -9.508 28.895 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 -10.233 -1.799 3.351 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 2.294 -3.020 2.106 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 -11.169 -6.994 14.960 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 -3.707 15.641 -4.178 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 -6.090 4.216 2.194 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 -17.588 -1.875 -0.943 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 -8.808 5.986 15.551 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 0.104 -0.263 2.306 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 -3.512 2.377 2.657 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 14.516 -23.343 0.435 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 -7.269 -1.435 -5.213 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 8.812 -8.017 -23.396 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 11.984 -22.637 23.506 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 -2.300 3.852 -1.598 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 0.188 26.707 10.459 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 10.795 1.461 2.628 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 1.992 7.135 -5.859 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 -26.335 7.023 3.637 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 19.717 7.242 -10.758 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 -3.257 -0.399 -0.767 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 -13.463 16.088 -7.134 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 -4.554 0.424 -2.305 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 -7.246 7.419 0.827 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 20.315 27.618 3.359 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 -19.429 -27.831 -18.603 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 -5.843 5.693 -3.176 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 -10.802 13.906 6.821 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 7.863 1.472 -17.378 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 -4.661 -1.419 -4.508 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 4.532 3.920 -13.127 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 -16.798 3.749 17.330 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 0.320 0.042 -4.085 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 -1.937 -17.819 9.269 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 -5.292 -3.132 -6.744 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 8.067 -7.217 1.644 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 -16.533 15.378 4.460 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 18.081 -8.171 -29.407 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 -5.906 -2.348 -0.178 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 -9.601 17.993 -2.103 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 -23.799 -24.406 -3.975 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 3.700 8.723 9.602 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 -0.498 6.339 4.752 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 -8.793 5.057 2.474 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 0.248 -7.651 0.630 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 -29.354 -15.148 -22.115 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 29.240 16.557 2.316 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 -4.610 1.704 0.522 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 -6.778 1.231 6.215 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 -3.139 7.943 -6.503 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 1.811 5.748 2.747 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 7.861 16.325 4.626 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 9.988 12.236 -4.375 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 -2.068 3.930 8.408 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 10.085 4.985 11.622 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 -4.175 8.094 2.952 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 3.794 -3.900 3.931 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 6.850 -9.823 13.937 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 -6.154 4.338 10.074 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 2.623 -5.752 0.373 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 22.730 8.565 -13.854 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 14.006 4.556 -7.912 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 -3.627 1.433 -0.487 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 0.066 -21.358 22.721 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 -1.121 14.660 -32.392 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 1.044 1.868 -1.712 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 7.028 7.364 6.341 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 9.630 2.944 -11.445 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 -8.643 0.389 3.201 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 -17.872 0.195 -17.985 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 15.321 -12.489 -1.197 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 0.915 -5.331 -6.546 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 11.358 -13.591 18.066 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 -0.647 19.022 -14.947 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 6.398 0.337 0.190 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 -0.554 1.905 -6.128 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 -2.401 -2.918 -16.570 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 2.162 -3.764 -1.181 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 2.920 23.816 -8.294 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 -22.385 -25.493 1.645 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 -3.477 -7.025 -2.243 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 -1.791 2.794 -3.179 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 -8.157 -28.297 7.694 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 -1.765 -4.010 -6.672 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 -16.282 -9.503 -16.731 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 -0.381 12.165 -10.739 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 -1.905 1.011 -5.120 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 12.138 0.932 -6.911 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 -7.722 3.737 1.382 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 -4.219 1.590 2.768 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 0.728 8.212 6.364 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 -8.574 -5.485 -5.767 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 0.888 -3.874 -0.141 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 -4.119 -6.140 -3.069 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 4.648 -8.127 -3.144 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 6.994 -3.123 -2.962 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 -4.993 0.184 2.817 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 -3.977 5.016 3.170 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 -3.458 -0.443 0.244 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 -9.132 0.280 12.085 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 -21.294 6.889 -18.974 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 0.870 1.213 -7.490 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 -9.912 11.582 -15.439 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 0.006 4.221 -16.322 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 -3.706 2.536 -0.777 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 -15.522 -9.433 -13.012 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 -15.838 23.880 -12.820 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 5.146 -4.627 1.650 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 14.372 -6.426 2.677 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 -6.076 3.417 11.981 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 -6.887 -1.250 1.419 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 -0.566 -23.634 -13.082 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 -7.700 3.051 3.680 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 -3.111 -2.105 -0.500 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 3.240 -13.909 9.396 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 0.353 1.143 17.734 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 -2.136 -1.136 4.637 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 -3.068 32.117 10.259 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 -7.771 -1.879 3.631 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 -2.203 -3.110 0.814 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 -11.790 22.983 -0.248 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 -23.138 4.892 3.619 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 5.089 1.479 -6.257 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 -1.205 2.529 -7.284 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 0.659 6.744 -32.155 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 0.019 -5.897 2.935 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 -6.281 -3.225 -0.298 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 -4.562 -2.912 -0.089 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 -1.370 -3.322 -2.989 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 0.482 -2.136 0.997 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 -8.509 0.963 -7.543 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 -2.998 3.689 5.105 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 -5.565 -18.803 19.590 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 -9.598 -8.509 -16.919 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 3.240 -7.676 -3.596 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 1.321 -13.681 -1.195 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 0.666 0.017 -8.022 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 -4.403 -5.069 -1.295 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 3.735 -5.072 -4.411 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 -6.580 35.965 -9.471 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 -1.652 4.754 3.453 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 8.818 -6.545 7.722 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 2.418 1.436 -8.005 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 -2.621 7.496 1.394 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 -14.179 6.073 14.576 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 3.830 13.600 1.077 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 4.772 -5.097 -2.404 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 -11.260 -2.243 -26.859 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 -12.682 -10.698 17.369 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 1.245 2.202 -2.697 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 18.081 -15.505 -1.762 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 -9.723 10.650 20.206 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 1.756 3.520 2.509 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 13.107 -10.075 22.451 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 -4.878 18.678 11.146 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 3.106 -5.948 3.785 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 12.730 -25.173 6.822 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 9.820 -22.173 5.072 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 0.592 -2.380 -6.354 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 7.058 7.861 -2.594 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 -2.839 -8.437 -8.831 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 3.219 -4.822 -3.644 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 10.065 -8.593 0.465 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 -4.749 -2.927 -9.856 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 0.788 0.666 -5.343 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 -4.866 -19.081 -15.307 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 5.018 0.166 -15.456 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 2.759 -5.996 2.152 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 -25.875 1.180 1.902 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 8.952 -7.789 -0.644 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 9.770 0.642 -1.096 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 18.824 -0.575 -3.823 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 -1.325 -0.358 -7.982 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 5.457 -1.613 -0.551 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 -12.740 -2.694 -23.995 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 22.286 -16.282 2.383 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 -4.096 4.181 -7.742 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 -7.533 10.917 8.648 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 8.987 -2.649 -6.529 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 -1.782 2.651 5.597 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 2.686 9.673 22.786 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 10.396 13.630 -6.017 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 8.800 1.220 -2.361 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 6.278 20.362 31.490 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 6.607 1.300 -3.850 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 -0.350 0.600 6.227 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 1.789 -23.671 5.752 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 -18.731 4.873 -8.010 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 2.433 6.601 1.522 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 -5.538 0.909 2.751 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 -2.379 8.331 0.479 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 -4.336 2.261 -5.810 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 -4.049 -5.472 -13.481 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 -4.700 -9.825 -23.734 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 -1.739 -2.890 -4.512 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 -1.961 2.548 5.092 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 -0.215 -5.878 -7.808 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 -1.259 2.229 -1.517 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 -23.123 8.183 24.861 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 -4.174 2.223 0.121 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 -0.866 -3.826 1.077 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 4.209 4.848 8.940 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 6.428 -21.444 0.998 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 -7.268 0.086 1.125 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 -22.232 -6.039 -23.054 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 -4.257 18.749 -9.492 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 -3.917 -3.563 -5.408 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 57.692 -18.532 14.344 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 -9.401 15.263 20.098 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 7.772 1.764 1.155 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 13.687 3.625 4.085 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 7.164 6.557 2.757 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 2.516 -1.081 3.506 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 12.896 -1.790 21.191 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 12.180 5.068 -18.892 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 -2.113 6.828 -1.719 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 -12.814 2.809 -2.294 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 13.886 -21.988 7.382 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 1.234 -0.262 -1.346 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 6.803 -18.955 -0.474 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 -9.149 -4.988 4.485 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 -1.576 1.633 -6.784 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 6.798 -11.945 21.233 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 22.763 8.551 -10.896 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 5.482 5.009 8.552 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 3.909 53.200 4.371 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 11.896 25.678 -6.619 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 2.838 0.293 1.604 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 7.910 3.235 -4.407 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 17.844 -7.778 17.135 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 0.955 3.248 1.461 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 -16.203 -11.022 -33.009 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 3.958 6.203 8.244 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 5.388 -4.659 5.137 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 1.812 -11.365 7.587 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 -11.024 7.399 6.297 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 -7.095 1.532 -2.112 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 -10.658 2.040 -1.644 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 -6.429 7.394 2.267 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 2.293 -5.809 -3.879 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 6.580 -2.940 -1.509 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 -18.446 -24.978 -4.850 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 2.788 4.759 3.234 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 -8.658 15.063 -5.744 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 6.638 6.321 6.673 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 -3.632 7.103 -0.141 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 -1.099 16.872 5.953 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 -12.019 3.943 10.146 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 0.217 -4.233 -4.038 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 -9.723 -1.920 -5.854 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 -7.991 12.374 1.978 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 2.414 5.150 8.235 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 -13.270 7.841 -19.142 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 16.197 3.103 23.246 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 1.475 -1.221 3.354 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 -3.992 -3.596 -5.194 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 -1.418 -2.329 0.994 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 5.361 1.598 3.443 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 -1.166 8.374 -5.229 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 4.204 6.825 6.948 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 0.263 -0.549 -2.668 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 16.316 -2.113 13.982 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 -11.166 8.006 1.818 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 -0.002 -5.021 0.088 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 16.532 -7.164 1.656 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 1.665 10.583 -13.643 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 1.707 -0.605 1.577 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 -2.932 6.065 19.124 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 7.324 4.806 -12.061 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 -5.490 -0.690 0.287 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 0.937 5.043 -1.934 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 -0.937 -9.988 0.343 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 1.281 7.295 6.904 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 10.761 6.941 2.833 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 -4.135 -1.535 17.330 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 1.712 0.526 -7.115 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 4.883 -9.151 8.606 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 1.358 14.452 -13.802 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 -1.910 -2.282 -7.172 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 0.572 9.161 0.932 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 -14.253 -5.593 -2.323 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 0.547 1.522 0.617 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 2.271 -4.448 -0.535 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 -0.976 4.642 3.090 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 2.671 2.859 -1.446 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 -2.033 18.199 -1.356 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 -0.031 2.140 9.687 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 -2.609 -4.722 0.123 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 -2.255 -42.722 6.109 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 29.000 5.163 -13.360 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 3.508 2.061 -3.031 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 29.498 -11.668 -0.861 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 -16.951 1.333 5.712 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 2.970 4.636 0.002 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 -11.066 -7.054 3.600 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 -29.565 -21.437 2.575 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 0.890 0.938 4.815 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 -12.377 17.236 23.808 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 3.785 -9.860 -13.876 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 -0.123 -0.840 -7.502 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 17.536 10.393 -11.852 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 6.364 -17.512 11.690 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 -1.524 -3.594 4.016 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 -3.220 1.966 16.361 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 4.966 -2.401 15.660 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 0.753 -2.248 -0.744 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 10.619 -4.133 2.355 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 -3.579 -8.185 -6.022 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 3.643 -7.726 7.709 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 -15.929 -15.085 24.583 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 -24.731 1.947 6.881 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 -4.688 1.759 2.655 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 13.374 3.673 -7.013 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 -4.896 21.854 18.601 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 5.759 5.415 -4.191 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 -5.479 20.552 2.979 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 16.162 8.333 -10.270 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 1.045 -6.486 -3.248 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 -1.633 -12.715 -1.993 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 -5.377 -3.860 -4.078 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 2.791 1.793 -3.837 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 15.331 -8.474 -3.284 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 -9.892 -11.517 -7.931 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 -4.366 -0.265 -3.608 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 5.013 3.643 -18.042 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 16.947 -1.147 -10.904 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 -3.706 -4.789 -2.953 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 -1.720 0.563 5.810 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 -17.453 5.803 -4.970 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 -2.337 6.318 -2.296 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 18.119 0.930 -19.795 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 -19.156 -15.187 -1.000 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 4.544 -3.272 2.805 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 -6.394 -19.103 -24.076 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 6.393 -17.903 24.260 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 2.279 3.986 0.029 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 -26.302 -16.667 -17.121 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 10.422 -22.837 18.315 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 2.415 3.591 -1.658 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 0.670 -4.532 1.561 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 0.487 -4.906 2.863 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 5.929 2.054 -4.804 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 4.982 -2.029 0.977 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 5.048 -29.621 -0.278 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 4.684 -2.138 -6.324 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 -3.967 8.455 16.440 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 3.142 4.693 -30.365 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 1.266 3.764 -1.304 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 -7.507 -26.249 -38.654 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 -2.010 -4.541 -10.652 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 9.753 2.278 4.274 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 5.074 1.146 5.240 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 9.501 0.874 3.567 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 12.297 -2.419 -1.953 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 9.756 -10.782 0.416 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 6.039 -12.044 -12.574 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 -6.769 2.631 -0.661 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 -8.702 9.408 -4.623 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 5.975 12.012 5.332 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 0.024 -3.099 -4.407 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 -8.404 -10.931 -24.697 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 -2.608 -10.579 4.840 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 4.315 7.446 -4.639 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 -11.108 16.046 3.152 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 -5.040 4.717 -8.517 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 -3.795 -4.549 -5.297 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 -33.451 7.956 5.935 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 -7.424 0.255 -33.499 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 -1.852 -1.815 -5.481 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 -7.892 16.365 -18.672 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 -13.712 -3.892 22.316 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 -6.600 -2.215 7.531 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 -4.482 1.397 -9.258 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 -0.937 -1.804 16.150 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 1.487 3.608 2.449 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 5.959 -15.785 -12.091 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 0.719 13.390 -5.874 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 0.643 2.100 -3.101 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 2.403 19.546 4.428 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 5.660 -3.139 -0.977 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 -2.404 3.975 4.875 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 14.719 16.600 7.884 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 -12.488 -38.729 8.578 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 0.190 2.369 -6.825 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 -1.688 11.939 -24.806 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 5.887 -8.198 -4.621 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 -3.844 -1.793 0.533 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 0.925 8.269 9.201 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 8.730 19.821 4.163 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 2.392 -1.273 -5.005 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 -0.042 4.304 -14.980 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 -13.463 -2.511 11.229 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 -2.011 -2.813 -1.516 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 16.018 -14.358 -21.555 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 6.158 -10.146 5.052 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 5.813 -3.389 1.425 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 4.127 5.427 5.107 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 11.767 5.101 2.034 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 -5.153 -5.781 -0.208 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 1.845 -4.826 6.700 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 -18.604 -6.117 -11.820 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 -2.658 -0.849 2.793 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 -0.785 20.293 -1.969 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 -12.857 33.336 10.252 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 0.397 -0.034 -1.400 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 -3.370 8.062 -11.194 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 -35.598 -2.054 5.832 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 8.908 -2.772 0.689 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 3.554 -13.170 3.878 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 0.639 3.042 6.182 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 3.150 4.901 -4.257 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 -4.077 -2.010 11.017 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 24.179 -28.292 15.299 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 -0.973 -0.678 -3.146 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 26.360 6.635 -3.952 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 -5.626 17.351 -32.908 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 -1.771 4.124 -6.147 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 -21.141 -10.310 -2.086 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 -12.476 27.809 -6.095 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 0.061 -4.910 -3.164 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 -6.146 -4.496 -4.471 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 12.429 -1.541 6.192 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 -1.333 -1.059 -3.736 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 -1.812 0.662 5.479 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 -7.238 -4.653 7.235 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 0.790 3.639 6.317 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 11.402 6.320 12.431 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 -13.808 5.863 -9.937 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 1.283 2.314 -0.419 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 5.264 16.497 29.562 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 -25.139 17.871 -20.692 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 -4.295 -2.032 3.286 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 -9.243 -21.151 10.420 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 4.183 2.714 -5.085 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 2.452 -1.236 1.089 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 -21.293 -10.189 -26.138 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 7.774 0.969 4.175 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 -5.828 -1.140 1.455 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 -12.398 6.152 3.046 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 9.102 -0.316 0.018 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 -1.076 -2.547 -5.336 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 -21.310 -11.211 15.194 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 20.576 4.709 -21.285 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 2.493 -4.004 -0.415 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 2.333 0.536 10.738 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 -15.095 -18.687 -2.841 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 3.810 4.426 -1.117 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 -1.276 7.572 8.128 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 12.220 -3.177 10.156 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 0.943 -9.023 4.785 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 2.430 -3.441 10.095 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 -5.524 -28.501 -10.625 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 -2.690 -0.431 0.900 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 12.824 -3.215 -5.711 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 -13.841 15.604 -9.368 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 2.351 -2.900 -2.269 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 1.219 -8.618 0.859 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 3.775 6.520 -5.483 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 8.384 -5.474 3.797 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 3.119 -8.648 3.961 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 9.831 -1.972 5.866 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 -2.017 1.626 -4.744 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 -9.411 17.305 -9.216 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 -3.976 -8.899 -0.312 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 -0.597 0.402 0.900 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 -4.677 -0.960 -0.911 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 -8.618 19.545 3.491 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 4.746 -2.015 4.079 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 25.762 8.483 4.049 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 7.883 -21.433 11.752 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 2.748 -2.584 6.762 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 2.612 -3.272 6.629 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 1.356 -7.300 0.796 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 1.391 -1.108 -4.116 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 -16.426 -8.524 3.004 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 -3.854 4.852 -9.429 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 0.342 5.742 -0.779 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 -13.081 -1.226 13.491 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 9.010 -3.048 -11.693 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 -1.066 4.358 0.174 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 -10.729 -4.129 -8.701 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 8.145 10.803 -3.521 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 -0.223 2.203 5.012 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 3.181 -12.197 -4.598 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 10.642 3.385 6.883 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 0.449 -1.773 -0.154 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 4.375 -11.956 -8.404 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 -20.418 18.640 -20.127 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 6.789 -3.167 -2.127 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 -17.312 -11.180 14.334 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 27.680 6.366 18.454 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 -3.515 -3.448 0.930 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 -13.943 -21.992 4.432 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 5.880 -4.292 -4.034 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 4.242 2.900 3.842 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 8.247 10.582 3.458 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 7.806 -9.811 10.134 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 2.640 5.641 0.928 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 4.805 5.004 0.248 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 -9.492 12.579 5.563 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 -1.567 3.724 -5.878 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 2.243 0.049 -3.922 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 -4.660 6.649 -7.912 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 2.879 1.201 3.851 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 -12.226 -5.454 28.280 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 -2.552 1.331 -3.791 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 0.711 3.007 3.772 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 -0.468 -14.073 -0.771 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 -10.968 -39.284 15.524 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 -2.635 -0.946 -0.130 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 3.123 -4.791 -2.642 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 -7.159 -3.684 2.714 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 3.027 -3.701 -1.003 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 7.491 -0.071 -6.496 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 2.178 -6.955 0.299 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 -1.123 -10.003 1.236 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 -11.351 -6.070 -11.021 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 -29.921 27.638 -9.014 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 6.341 2.491 1.204 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 31.392 1.313 -10.734 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 17.266 -12.639 9.785 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 7.563 -1.694 7.658 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 15.132 -13.072 0.850 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 -1.192 -16.137 4.273 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 2.498 7.685 4.384 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 5.696 18.578 -0.265 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 -4.446 2.398 8.989 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 -3.765 -5.328 0.096 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 20.608 -13.327 29.261 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 -6.759 0.892 -8.192 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 1.412 6.007 4.174 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 1.437 6.553 -0.986 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 -17.015 0.245 -2.938 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 2.251 1.759 4.721 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 25.467 3.151 -0.413 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 -2.107 8.892 1.143 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 -1.554 -4.310 0.427 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 19.132 -8.647 -8.600 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 -5.703 -22.116 11.674 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 -2.285 -1.016 5.838 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 3.609 16.966 -14.445 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 5.289 -0.345 7.840 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 0.842 1.405 1.711 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 2.473 10.338 8.386 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 7.033 -6.187 5.608 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 1.937 3.172 -1.461 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 -1.983 1.582 -12.540 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 6.419 19.459 -22.268 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 4.023 -0.268 -5.494 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 -0.481 -2.502 -1.999 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 7.435 12.907 -6.917 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 5.625 7.194 3.298 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 -1.993 1.595 0.579 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 11.267 15.581 7.471 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 0.815 -0.139 1.355 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 -14.154 13.673 20.860 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 17.577 -21.429 -7.021 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 -1.745 5.918 0.298 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 28.785 -5.241 -29.463 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 -4.418 -11.666 2.925 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 -2.038 0.312 -4.021 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 1.602 8.222 -11.867 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 -2.850 -2.590 -2.018 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 -3.429 0.025 3.887 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 -7.343 -4.955 3.883 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 -6.697 -0.080 -6.673 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 -2.234 4.002 -4.610 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 -7.810 -1.439 -2.698 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 11.700 -1.367 -20.787 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 -1.770 -5.706 9.588 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 -2.237 22.841 2.770 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 -6.908 -13.655 -8.868 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 -6.612 -6.639 -2.003 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 -10.252 -21.870 -5.559 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 -6.455 5.374 -2.467 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 3.882 -3.836 -4.749 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 2.216 -13.644 8.715 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 -4.613 -17.039 -12.762 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 3.792 1.344 4.715 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 -12.290 11.875 4.706 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 -12.342 -18.566 4.717 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 12.443 -1.715 -4.834 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 10.652 -6.487 -25.513 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 16.718 -9.934 2.165 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 1.512 -4.355 -1.647 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 9.562 4.535 -12.338 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 -15.860 -16.022 -0.607 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 -1.869 -2.788 5.866 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 5.138 -1.197 -1.859 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 -8.543 -3.955 0.727 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 5.078 0.265 -6.683 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 3.804 -27.592 8.341 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 -16.184 -9.127 5.563 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 10.580 -4.739 6.544 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 -9.539 -13.381 3.109 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 6.168 -9.571 5.369 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 2.460 -2.678 -2.868 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 -0.809 9.342 -4.892 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 0.769 10.469 -9.560 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 3.610 4.177 -2.112 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 10.561 -1.232 3.679 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 -0.416 -5.235 -0.116 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 0.879 -9.494 -2.150 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 -10.519 -11.860 -0.518 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 17.904 12.728 3.882 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 -2.309 4.726 -4.553 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 -15.530 3.240 -8.947 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 1.575 -11.940 4.439 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 -3.010 -8.065 -0.811 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 12.223 -15.600 -24.346 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 7.521 21.028 3.854 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 -2.419 2.222 -10.106 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 -5.781 -12.815 3.031 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 -22.428 21.492 4.432 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 4.993 3.880 -0.096 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 5.775 20.303 -18.769 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 29.823 -9.237 -0.004 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 -0.091 -5.582 0.611 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 -10.513 12.475 20.056 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 47.282 -10.437 10.798 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 -1.502 5.371 -0.130 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 -2.203 -0.017 -1.396 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 -0.035 8.204 2.212 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 -0.779 -4.193 6.202 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 4.728 6.490 -19.980 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 20.004 2.827 -11.125 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 0.268 1.930 5.605 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 15.950 8.767 -6.632 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 -8.876 -4.634 13.798 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 6.233 2.552 -4.168 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 5.021 -4.287 -20.524 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 6.558 5.897 2.902 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 -3.957 -0.162 2.979 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 -3.772 10.095 2.510 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 -2.051 -0.645 5.056 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 -0.300 2.521 0.896 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 10.817 -20.452 10.804 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 7.871 8.837 -1.184 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 -3.582 2.513 -7.415 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 -11.341 9.869 2.797 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 18.072 10.006 -14.413 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 3.547 6.868 0.157 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 -7.025 15.314 23.754 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 6.353 3.616 -9.053 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 -2.626 9.276 -3.871 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 4.556 22.857 12.311 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 6.413 11.436 -11.463 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 -1.718 1.056 -1.269 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 -2.403 1.042 -3.560 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 -1.386 2.543 -1.138 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 0.890 1.281 -5.616 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 -1.700 10.032 2.622 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 5.807 20.298 2.021 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 1.909 0.900 2.355 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 2.164 0.963 -2.446 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 0.502 5.096 2.336 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 -4.331 2.760 -3.636 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 -4.458 -6.895 -3.411 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 1.607 7.212 8.124 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 -1.560 1.497 3.192 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 -5.943 2.718 -5.300 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 -0.991 1.136 5.738 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 0.489 -4.262 10.243 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 -0.781 9.664 -1.430 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 9.868 -15.939 23.868 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 -1.986 4.418 -8.852 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 -10.214 1.032 -10.281 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 1.125 5.720 -16.864 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 3.650 -2.068 -0.181 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 -2.309 3.786 4.085 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 7.378 -8.844 -4.368 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 1.687 2.004 1.869 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 -1.833 12.104 4.826 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 13.568 4.698 3.488 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 -3.068 2.279 6.378 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 -1.232 -12.555 -3.868 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 5.054 6.255 -12.276 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 0.524 -2.046 -8.634 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 -7.872 -0.657 3.759 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 7.410 -11.128 -8.515 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 0.517 -2.090 0.551 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 -0.827 1.723 9.457 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 -5.878 2.545 -4.313 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 4.040 -0.448 0.777 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 2.906 2.898 -8.803 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 10.623 -0.712 -20.131 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 5.038 0.714 8.910 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 -1.584 9.945 19.101 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 3.850 6.660 -4.212 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 1.594 3.224 -5.211 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 1.912 6.451 -13.964 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 -15.725 -6.656 -10.488 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 5.076 -0.891 8.847 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 -18.277 -10.131 17.445 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 -2.738 -23.340 -7.184 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 -1.631 -4.120 5.651 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 17.356 6.095 10.010 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 -8.330 -1.994 -17.998 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 7.772 -4.880 -7.146 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 6.238 -5.138 1.906 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 6.987 -4.412 -8.502 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 1.385 -7.823 -3.371 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 -19.839 12.851 0.124 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 -20.167 2.817 2.125 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 -3.601 2.491 3.353 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 2.787 -2.043 -7.740 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 -0.249 11.039 7.211 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 4.942 0.337 2.145 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 13.211 -0.755 -0.845 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 24.621 29.388 -21.451 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 5.248 -0.842 -2.726 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 -0.399 -14.372 -4.994 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 17.317 -21.425 -32.243 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 -5.779 2.714 -4.962 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 -11.638 -5.255 6.731 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 -17.816 -3.823 8.516 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 2.180 1.442 -1.187 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 -4.276 31.404 -39.303 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 -31.056 15.091 15.983 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 -4.414 -1.075 0.459 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 4.375 7.106 -3.752 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 -17.240 7.773 1.369 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 -2.065 -2.054 -2.014 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 10.096 9.229 0.849 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 -9.962 6.358 5.016 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 -2.634 2.018 2.284 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 3.788 10.396 -9.784 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 -9.731 -10.630 8.536 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 -6.937 -0.102 7.806 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 1.779 14.244 12.500 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 8.700 -13.317 -10.851 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 -5.523 3.782 6.272 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 1.774 -10.911 4.929 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 -12.039 0.253 15.129 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 6.175 7.391 -3.541 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 3.017 25.895 -31.964 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 4.916 8.367 -4.815 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 -1.469 3.493 6.129 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 1.533 9.974 -0.853 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 6.884 22.928 5.863 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 4.250 -7.915 5.395 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 11.852 -8.599 -19.774 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 1.899 -9.153 4.206 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 6.272 0.400 -6.611 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 -0.543 -23.361 -2.678 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 3.966 16.288 -6.339 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 -1.539 4.726 2.255 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 13.603 2.129 22.214 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 6.410 4.772 6.945 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 6.464 -3.916 1.540 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 3.691 -12.468 15.594 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 -27.430 8.611 -7.099 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 1.338 -5.436 -3.400 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 -3.854 0.735 -3.630 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 14.197 -3.865 1.394 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 -1.597 -1.311 -3.756 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 6.141 1.455 19.338 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 -5.125 -10.578 -22.826 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 5.804 -3.486 2.881 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 -2.832 2.701 3.903 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 3.468 -1.788 2.743 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 4.502 -3.999 2.805 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 -4.444 8.878 6.321 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 8.553 -3.371 6.056 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 1.293 -2.391 -2.750 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 10.339 10.306 -5.220 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 -19.195 -8.124 -13.115 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 6.464 -0.473 4.718 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 -7.485 -1.221 14.761 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 14.448 20.300 -15.054 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 -2.720 0.169 -7.182 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 -2.655 24.262 0.698 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 -10.272 -15.688 1.712 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 1.693 2.786 5.914 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 5.188 7.082 3.454 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 17.409 12.799 -3.697 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 -2.770 -1.920 3.341 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 -15.146 8.592 0.228 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 -10.616 9.932 7.822 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 2.297 4.574 -1.783 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 2.969 11.182 5.387 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 1.092 -5.407 -9.782 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 0.485 -2.169 3.466 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 0.491 -2.312 3.707 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 1.092 -2.021 5.401 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 -1.432 -3.309 -3.921 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 9.231 13.245 -9.863 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 -3.851 -24.000 16.318 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 -2.795 -7.785 5.990 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 11.975 3.431 11.232 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 1.639 -28.419 10.176 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 2.555 5.216 -0.608 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 12.100 17.669 -4.620 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 -7.302 -10.535 0.897 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 0.198 4.688 -1.403 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 -3.474 9.731 2.111 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 8.735 2.980 -24.533 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 -1.435 6.272 -1.411 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 -16.955 18.416 5.841 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 7.605 13.396 -2.635 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 5.945 1.298 -4.031 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 10.177 -3.394 -6.249 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 9.112 6.814 -6.730 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 -6.176 -2.567 -0.500 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 -2.324 -7.211 10.294 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 -4.135 6.669 -9.157 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 -0.293 2.183 1.803 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 5.851 0.421 -4.040 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 8.717 7.634 6.357 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 6.331 -3.444 5.422 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 -1.163 -6.812 -2.265 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 -24.749 -25.707 -17.867 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 -10.044 3.127 -2.211 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 -12.808 -2.501 5.386 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 3.029 -5.708 -0.055 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 1.368 -5.071 0.373 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 -22.155 -3.568 -7.486 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 3.844 -0.161 -3.921 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 -0.982 0.793 0.205 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 -4.111 -11.182 -17.740 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 -3.268 -9.897 -10.303 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 0.749 2.879 2.508 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 -13.962 -0.244 4.871 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 2.660 17.453 -1.689 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 -3.561 6.085 -2.528 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 9.781 18.665 -2.492 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 5.120 -10.623 -2.873 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 1.363 -5.012 3.362 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 13.623 -5.002 23.036 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 -14.020 -4.787 -10.347 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 2.108 1.811 3.109 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 15.780 -1.096 -16.463 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 -4.932 19.194 24.422 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 2.980 2.795 -11.362 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 -5.808 -10.693 -25.810 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 11.517 -9.768 8.724 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 -0.199 2.841 -2.278 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 -1.797 -8.975 6.163 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 8.096 0.679 -2.102 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 1.066 1.549 6.087 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 8.742 6.907 -5.005 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 2.819 -1.590 -1.247 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 -2.556 -10.396 -0.748 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 -15.792 1.631 -18.061 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 22.967 -42.325 18.984 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 -4.408 -4.436 4.050 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 -11.671 7.633 3.329 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 -1.016 -8.628 10.065 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 5.026 -3.351 4.857 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 0.130 21.040 -4.485 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 7.768 6.294 3.131 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 7.518 8.826 4.398 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 9.471 10.243 15.416 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 10.681 11.010 6.386 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 2.845 -7.889 2.471 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 3.895 -1.049 -10.918 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 12.277 -19.194 -13.596 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 0.041 -3.920 -3.383 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 5.992 3.536 20.605 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 -12.020 8.750 -23.662 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 1.857 -1.377 -1.144 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 23.079 -0.712 1.908 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 0.432 -4.624 -8.609 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 -1.157 5.509 1.406 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 -10.605 -1.576 -1.241 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 0.545 -1.130 0.740 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 0.390 7.358 -0.786 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 1.741 9.582 -1.669 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 -12.528 9.464 -1.021 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 -3.419 -4.126 -0.873 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 -9.703 -4.734 18.268 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 -2.539 -7.698 -13.916 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 -2.038 -6.387 -2.580 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 21.132 12.127 10.680 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 12.283 -3.734 2.960 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 1.753 -0.109 3.428 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 6.362 8.973 2.545 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 -8.697 1.170 0.067 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 -3.231 1.007 -0.439 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 -2.574 9.685 -20.034 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 3.959 -10.325 24.715 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 8.060 -0.291 3.665 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 -14.967 7.827 37.482 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 6.850 -8.172 -0.670 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 1.450 -1.135 0.633 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 -0.818 -1.770 2.653 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 1.828 -3.273 -1.645 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 -5.735 -7.053 1.056 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 -7.683 5.877 -6.424 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 -7.125 -13.180 5.868 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 1.349 -1.351 0.509 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 3.374 12.327 -9.859 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 11.618 3.149 8.206 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 3.438 1.229 -2.622 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 -15.325 17.207 6.282 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 -9.083 11.148 -4.851 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 1.411 1.144 4.414 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 -1.218 -7.917 3.251 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 9.685 28.846 12.536 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 4.865 7.768 -2.366 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 14.199 5.496 -2.968 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 6.955 7.413 -5.294 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 0.264 -0.961 2.767 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 3.502 -9.321 7.350 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 -0.116 -2.913 -6.997 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 2.351 6.232 0.543 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 -17.729 2.151 0.780 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 5.761 29.800 12.381 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 0.118 4.897 3.834 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 -0.071 3.295 5.245 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -3.640 2.340 3.363 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 2.004 0.328 -2.162 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 0.598 9.668 11.244 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 -8.519 -3.431 3.392 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 4.302 2.061 -7.001 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 1.969 15.529 -0.574 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 -23.202 -20.677 28.554 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 -4.267 1.487 -8.174 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 -9.989 14.415 1.028 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 -3.951 11.341 -2.481 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 4.093 1.512 -8.054 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 -1.258 -10.963 12.385 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 5.204 -10.306 12.912 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 5.063 -1.922 -0.021 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 10.201 0.265 4.260 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 -4.510 -4.330 16.146 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 -2.950 1.081 -9.559 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 -6.831 11.453 -8.974 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 -0.677 -8.119 -10.241 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 1.108 0.714 4.220 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 2.384 2.190 6.034 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 5.225 0.506 0.056 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 0.541 -6.674 1.812 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 14.221 24.898 -3.501 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 -9.685 9.880 19.084 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 -1.752 -3.074 -2.337 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 6.094 -2.776 4.999 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 -1.609 -10.380 -31.701 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 1.406 -1.396 5.694 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 -33.159 -0.205 -2.359 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 1.929 5.548 4.155 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 5.206 -5.767 3.371 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 12.751 -20.036 -16.224 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 2.809 -9.293 1.354 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 1.937 1.596 3.297 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 9.871 6.936 11.652 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 6.761 6.219 1.912 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 0.715 1.562 2.697 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 3.727 -7.710 2.802 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 -1.233 9.758 2.751 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 7.267 -1.571 1.004 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 13.883 -0.364 4.391 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 -6.529 -3.594 -5.481 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 2.181 -7.801 -1.073 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 6.314 3.203 -0.136 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 8.355 -6.100 7.737 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 -0.375 2.025 1.568 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 3.308 -9.239 33.609 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 -5.096 5.333 -10.236 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 -5.234 -1.282 -3.152 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 -21.267 29.940 -9.792 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 -0.010 -14.635 3.987 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 8.503 -1.082 -5.318 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 -5.465 11.770 -0.910 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 -13.054 -15.234 -2.143 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 4.895 1.245 2.014 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 -2.707 1.722 3.785 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 10.019 1.918 11.620 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 1.550 -7.233 -0.413 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 9.280 -3.844 5.989 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 -4.113 -24.060 1.370 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 3.803 -2.652 -1.347 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 8.737 -10.228 -1.948 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 10.684 -0.932 1.233 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 -6.240 -1.835 -5.681 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 2.678 12.317 -14.213 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 -27.153 6.953 -2.230 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 -0.524 2.462 -6.776 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 -2.468 4.897 -5.991 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 -1.960 -3.472 -5.816 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 7.378 1.061 -5.206 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 24.109 10.968 3.353 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 -7.863 -7.154 0.663 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 2.813 -1.503 -6.205 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 -7.540 10.364 -8.634 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 12.563 2.551 0.139 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 0.353 1.125 -2.748 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 2.075 18.697 3.040 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 -2.532 -6.509 21.896 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 -0.726 1.539 -7.881 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 10.820 1.317 6.919 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 3.581 0.525 7.722 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 3.115 0.745 -1.938 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 -1.073 7.566 22.660 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 9.216 -13.905 -4.611 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 -1.707 1.162 5.949 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 -2.538 -11.010 7.622 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 8.653 3.789 10.729 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 -6.276 -0.859 -3.999 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 6.590 -4.261 -12.618 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 4.723 5.984 0.477 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 1.250 2.802 4.069 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 -4.529 1.010 6.813 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 2.455 1.257 -1.407 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 -4.599 -1.458 5.057 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 3.202 -15.643 -0.189 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 -5.639 0.061 8.894 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 4.372 3.002 6.297 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 -4.403 3.813 -15.195 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 -0.420 3.915 -2.976 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 0.627 -1.450 0.655 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 26.626 -1.620 -15.413 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 -2.722 -3.937 4.286 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 -2.334 -0.168 4.011 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 -3.038 -9.913 15.580 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 6.722 -2.002 8.159 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 -8.443 -8.246 7.573 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 29.141 -21.536 1.286 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 -0.574 2.690 4.541 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 -4.845 3.529 6.742 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 7.281 12.063 10.456 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 -12.973 -2.614 1.842 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 -5.264 -1.746 -1.667 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 1.960 -13.435 9.307 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 -7.444 -3.905 1.482 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 2.987 6.907 0.804 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 -20.127 -3.318 -6.880 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 4.547 -1.479 -15.485 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 -1.126 -1.972 4.529 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 18.461 11.392 -4.350 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 3.285 2.425 9.085 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 0.027 1.317 -0.923 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 -16.969 7.598 14.846 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 4.245 -8.865 -19.856 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 -1.540 5.190 -2.454 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 -6.690 -5.966 -16.309 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 -0.917 6.295 -1.513 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 -10.134 2.219 -3.164 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 -11.162 8.446 -18.786 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 17.439 20.419 -24.485 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 3.564 -0.114 1.329 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 8.920 -0.978 -6.964 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 1.424 12.131 1.205 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 -3.797 -1.555 0.835 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 -6.744 -6.743 -9.077 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 -2.877 -42.956 14.765 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 -2.634 -1.799 -5.152 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 -13.730 16.280 -10.193 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 -1.904 11.366 -1.597 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 -4.956 -7.933 1.210 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 5.075 -26.006 -0.637 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 0.562 -2.755 4.669 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 5.754 1.088 -1.443 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 -22.026 -12.024 -6.678 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 12.122 -11.434 1.455 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 -1.344 -4.501 -7.079 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 -6.629 -18.906 -21.314 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 1.743 12.723 -4.131 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 -0.017 0.831 1.036 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 -4.228 1.738 -10.656 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 -7.571 -2.775 -0.777 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 -1.774 6.578 0.513 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 -26.334 16.178 16.006 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 -3.323 -25.653 -2.756 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 1.863 7.194 -7.860 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 -0.463 -4.059 -6.150 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 4.008 7.346 -13.214 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 0.196 7.083 6.296 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 -14.258 6.010 -7.783 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 -5.074 -0.479 15.692 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 2.130 -2.338 -8.051 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 10.645 14.122 -7.288 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 21.126 14.289 -8.496 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 2.925 -3.034 -1.503 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 7.413 -9.472 -5.514 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 -2.823 4.110 2.514 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 -2.729 1.741 1.142 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 6.234 -7.355 11.577 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 -5.559 6.417 1.951 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 1.486 -2.960 -1.205 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 -3.858 6.237 10.891 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 -6.698 -20.780 -7.921 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 -3.966 10.605 -2.459 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 -10.100 11.483 13.591 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 -9.442 10.784 4.380 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 1.307 -2.827 4.680 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 -0.333 -6.864 3.249 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 6.837 22.673 12.720 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 2.037 1.222 -2.656 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 -16.522 21.363 6.944 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 -13.571 13.828 3.703 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 -4.872 -9.204 -2.642 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 15.524 35.635 -17.345 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 10.219 12.803 -7.355 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 -1.224 6.924 2.437 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 -2.847 7.592 -2.291 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 -0.406 7.315 4.964 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 -2.784 0.054 9.634 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 13.645 -6.716 -5.754 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 4.686 4.636 1.851 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 -4.873 5.282 -6.583 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 -3.915 -8.748 -8.195 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 7.069 8.737 0.903 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 4.232 0.086 0.920 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 6.528 0.069 0.174 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 -8.281 -12.529 -1.348 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 -2.535 3.090 3.801 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 -13.063 21.042 3.933 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 9.799 -10.629 -0.220 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 1.923 -2.367 -4.989 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 0.760 -4.796 19.505 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 -3.924 -3.013 -2.814 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 1.655 -1.314 -4.841 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 14.190 -26.270 19.817 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 24.367 6.364 -5.204 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 -4.176 -4.445 -1.504 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 1.446 -16.532 -15.839 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 -2.574 -0.618 3.050 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 -0.532 5.624 0.860 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 -11.908 -10.792 15.774 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 -7.036 0.869 -14.163 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 -4.333 -2.211 -7.082 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 -11.509 -14.675 -20.826 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 -10.084 11.493 8.407 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 0.599 -2.061 -2.256 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 -6.682 -42.880 19.579 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 -15.374 1.963 -6.250 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 -1.286 -4.742 0.275 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 6.473 8.616 13.247 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 -23.761 -22.957 -14.570 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 0.323 -3.452 1.285 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 0.957 0.925 0.848 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 -3.527 -3.340 2.872 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 -5.966 2.113 7.754 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 18.131 0.360 3.140 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 0.977 -3.930 9.136 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 -6.875 5.199 -1.908 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 -0.826 5.489 -6.576 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 -3.156 2.035 -6.760 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 -0.340 -8.334 -3.926 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 -0.012 15.280 -4.333 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 0.150 13.950 0.357 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 3.498 -3.188 0.325 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 2.659 -1.512 -2.310 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 -8.913 -5.578 1.997 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 1.599 -1.068 4.006 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 4.346 -19.886 14.613 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 -4.558 19.013 10.093 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 0.167 0.849 6.789 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 -4.655 -1.428 -0.819 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 -4.638 7.984 -4.346 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 -0.437 -1.809 2.501 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 -1.903 -12.509 4.760 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 19.914 -22.155 -29.193 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 -0.750 -0.611 7.403 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 -8.660 -19.058 4.954 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 14.676 0.254 -15.124 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 -2.588 -0.052 5.181 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 1.650 -2.140 5.451 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 11.006 -2.875 6.638 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 4.782 1.144 -5.666 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 -21.377 -16.487 -8.360 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 -17.551 -9.788 -13.356 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 6.181 -5.166 -0.702 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 1.734 3.922 -15.757 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 8.463 -13.797 13.680 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 -5.801 4.453 -1.515 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 -15.343 15.860 -29.878 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 10.255 2.674 10.826 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 5.222 0.841 -1.919 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 -3.286 -1.804 -2.519 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 -4.128 -8.431 -7.811 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 2.301 0.690 -8.135 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 -17.501 0.064 16.795 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 -14.616 -0.221 12.124 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 5.662 0.168 3.925 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 5.927 2.375 2.910 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 -1.010 -3.588 -22.536 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 5.855 -3.205 -4.208 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 6.143 -9.280 -7.105 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 5.984 0.057 -5.453 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 0.450 3.546 -3.361 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 7.301 -11.791 -0.499 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 -9.416 -19.499 6.969 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 1.927 -1.787 -0.220 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 4.729 -4.359 -10.053 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 -2.230 -11.031 -5.516 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 -4.624 -3.348 -0.950 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 17.524 2.793 -9.732 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 11.917 -1.591 -16.615 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 2.596 -2.860 2.822 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 -26.517 5.640 6.699 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 9.368 -6.235 0.746 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 4.212 -8.045 -1.207 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 -19.683 7.173 2.641 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 0.161 -11.147 -9.690 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 -7.143 -8.814 0.395 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 28.574 -34.169 14.932 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 6.295 -16.256 -5.301 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 2.856 -0.700 -0.454 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 -9.693 1.175 -0.221 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 -9.695 6.282 -0.669 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 0.986 1.225 -4.557 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 23.115 26.406 -20.777 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 -26.141 5.580 19.010 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 -0.826 -3.281 0.965 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 -0.444 -10.730 -15.623 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 0.551 -37.039 -4.273 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 3.396 -6.394 3.297 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 5.408 35.806 0.264 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 16.915 -12.243 -30.648 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 1.440 -4.320 2.460 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 7.093 1.976 -1.108 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 26.047 3.738 -10.726 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 -2.075 -4.645 7.348 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 -3.477 0.450 9.704 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 -1.502 -7.474 12.090 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 -4.530 0.603 7.173 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 0.732 -0.094 13.135 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 0.731 -3.225 3.754 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 0.353 2.953 3.256 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 6.988 4.587 0.272 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 -14.364 10.093 23.034 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 -0.890 0.785 -0.705 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 2.861 3.630 -4.731 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 -6.258 2.265 -1.401 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 -4.018 1.053 -3.346 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 1.266 17.331 -7.186 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 -5.098 13.279 -21.126 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 1.342 -1.194 6.224 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 7.070 -17.596 12.570 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 3.485 -13.469 9.377 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 -8.300 1.456 3.048 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 -16.414 -10.897 -5.267 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 9.530 -39.037 -2.364 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 5.017 -2.238 -7.195 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 7.600 11.475 5.110 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 -7.609 5.686 -3.719 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 0.420 2.835 -4.727 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 26.614 5.059 15.856 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 -5.488 17.456 -8.116 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 -3.920 -0.535 0.097 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 16.794 12.003 16.779 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 -1.354 0.256 3.648 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 -0.513 2.207 -3.369 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 -14.547 0.032 -10.280 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 12.711 -7.842 1.020 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 4.974 -2.697 -3.151 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 8.776 -6.429 -33.762 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 -12.375 -2.432 -1.348 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 -0.130 3.789 -1.534 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 -5.866 16.914 8.468 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 2.740 7.557 -8.797 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 -5.174 -0.177 5.087 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 -5.881 -6.623 -5.887 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 -2.312 10.478 -5.145 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 -0.999 -3.307 -3.679 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 5.989 5.015 -23.321 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 -17.968 3.924 -8.210 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 9.705 -1.154 3.165 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 23.901 -3.956 -15.498 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 3.878 14.178 42.572 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 -0.443 -6.868 -5.253 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 27.863 2.248 -16.037 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 -1.189 1.583 26.469 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 4.961 5.933 5.443 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 10.083 5.352 4.546 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 4.607 8.385 9.618 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 -1.891 9.797 0.701 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 -14.543 -7.776 5.032 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 11.493 -15.303 -6.279 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 -0.596 2.931 4.775 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 3.293 -19.128 -1.639 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 4.522 10.454 6.126 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 -4.752 2.254 1.520 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 -1.082 -0.705 1.656 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 -1.876 -8.355 4.603 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 0.788 -3.070 -1.196 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 -30.857 13.015 -3.800 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 -0.878 -22.637 29.789 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 -0.136 -2.705 -0.826 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 2.099 -4.695 -10.130 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 20.383 21.155 -7.817 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 3.233 -6.405 3.461 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 6.657 -11.226 11.866 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 3.976 -10.192 5.261 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 -0.682 -6.694 -5.815 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 -17.106 4.097 -4.785 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 -9.431 38.059 -9.346 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 1.638 8.169 -5.099 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 3.419 0.120 -0.996 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 6.570 9.221 -7.507 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 5.563 -7.856 -0.681 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 20.817 -13.186 20.982 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 -13.855 3.960 -5.987 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 -2.910 0.815 1.373 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 -6.670 -0.871 -15.265 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 0.690 5.493 2.463 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 9.741 -2.671 -3.378 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 1.875 21.358 8.061 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 -5.245 15.019 -19.567 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 0.217 -4.622 0.333 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 -11.266 -23.337 -4.211 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 -18.877 -1.823 10.729 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 -1.192 0.972 0.817 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 1.144 -3.086 1.198 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 -0.463 4.130 -0.552 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 -7.024 5.935 -4.546 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 17.874 -0.965 7.264 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 -20.309 -8.247 -3.297 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 1.056 -3.759 -3.326 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 -3.817 -2.659 -2.433 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 -9.061 -0.097 -15.614 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 -4.061 0.989 3.118 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 8.077 18.583 -1.061 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 -1.886 10.753 5.892 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 -0.069 -3.999 5.544 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 7.710 26.038 18.295 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 2.131 7.049 7.542 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 3.248 -1.415 2.104 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 12.321 -3.892 12.723 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 7.488 -7.320 -8.178 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 0.208 1.900 3.235 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 11.081 -0.087 -8.313 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 7.270 12.669 -13.734 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 -0.941 5.365 -2.527 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 -4.063 4.485 5.830 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 -18.579 4.386 -7.456 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 4.037 6.039 3.599 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 5.041 11.734 17.241 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 3.684 5.349 2.129 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 -1.637 0.157 1.449 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 -4.888 2.204 -16.225 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 -7.870 -3.498 -8.582 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 0.251 -3.569 -2.916 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 -4.760 12.789 6.032 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 -16.646 -12.351 -5.113 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 -4.717 -1.956 -1.549 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 -9.194 -0.387 2.806 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 -5.245 -16.451 5.944 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 0.607 -8.816 1.074 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 -22.173 -11.330 -2.126 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 -6.760 -11.633 -0.465 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 12.127 -3.137 -2.938 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 10.151 -16.432 -7.404 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 -0.787 1.950 -0.737 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 10.424 -5.398 0.781 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 16.076 7.093 15.127 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 8.130 -12.369 -5.509 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 -4.951 2.118 2.842 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 16.314 44.991 -7.033 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 -24.313 -23.002 -11.933 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 -3.737 -3.615 -3.010 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 3.634 -6.828 -2.146 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 -0.393 1.160 5.266 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 -1.440 1.661 -4.784 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 -0.632 -1.459 -0.053 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 -3.256 0.156 -1.663 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 2.867 -2.250 -6.717 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 1.481 -3.538 -1.297 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 6.025 -3.218 1.126 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 -3.234 1.110 3.572 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 -4.269 1.987 -2.677 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 0.830 2.498 3.701 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 -6.417 -0.062 -2.025 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 -1.433 -3.743 -0.374 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 8.666 6.325 0.968 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 -1.962 -1.674 5.091 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 5.602 -1.353 -0.565 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 1.222 -0.326 -4.353 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 3.943 -2.682 -1.065 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 -2.654 5.161 4.547 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 0.749 -4.377 1.168 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 -3.066 2.797 -0.945 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 3.204 3.155 -4.986 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 -3.466 -3.408 1.477 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 1.312 -1.081 2.082 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 0.845 4.208 6.546 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 -5.847 2.388 0.258 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 -3.946 -0.529 3.625 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 0.817 -2.901 -5.190 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 -2.886 -0.637 -2.447 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 2.262 -6.615 8.068 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 -1.805 0.339 -2.780 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 5.338 2.010 -2.570 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 -2.683 -0.786 0.382 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 -0.275 1.151 3.989 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 2.686 -0.061 3.765 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 2.891 -1.325 -3.840 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 -0.998 -2.181 4.142 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 -1.564 2.879 -3.007 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 2.925 -0.187 -3.056 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 3.501 -0.401 4.031 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 4.723 -2.163 1.663 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 -3.532 2.771 -6.032 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 -0.953 3.724 1.743 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 6.072 -0.682 0.214 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 -6.273 3.903 -1.461 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 -6.002 0.918 -1.968 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 0.365 -0.260 0.540 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 -2.024 2.392 1.597 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 -0.883 -1.050 -2.570 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 -4.349 -1.702 -6.976 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 -0.783 -5.830 -0.198 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 -0.200 4.681 1.614 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 -5.446 2.125 -4.657 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 0.756 -2.773 -3.065 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 3.003 -0.812 -0.638 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 0.751 4.218 4.699 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 -2.708 4.329 -4.597 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 -0.650 0.837 -4.002 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 -2.660 0.340 6.419 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 -1.938 -3.174 0.090 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 -2.159 -1.105 0.095 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 -1.172 -3.333 2.657 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 -0.811 -5.566 -5.585 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 -6.002 2.689 -1.823 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 -0.742 1.315 2.875 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 -1.347 4.488 -1.134 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 -3.105 -0.569 1.569 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 0.947 5.502 -3.793 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 -5.828 5.045 -8.332 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 5.827 -0.792 1.674 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 3.747 5.527 0.663 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 -1.660 -1.149 -1.184 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 -0.642 6.227 1.947 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 -3.974 4.792 1.021 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 5.635 1.376 2.978 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 -1.737 -4.275 -0.082 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 -0.840 3.466 -2.148 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 -1.016 7.564 -3.370 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 0.211 -1.184 -5.900 1.00 0.00 ION NA END