A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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34 KiB

2 years ago
TITLE Great Red Owns Many ACres of Sand
REMARK THIS IS A SIMULATION BOX
CRYST1 21.228 21.228 21.228 90.00 90.00 90.00 P 1 1
MODEL 1
ATOM 1 O SLV 1 3.841 3.288 2.540 1.00 0.00 O
ATOM 2 H SLV 1 4.692 2.942 2.816 1.00 0.00 H
ATOM 3 H1 SLV 1 3.988 4.174 2.206 1.00 0.00 H
ATOM 4 O SLV 2 3.033 12.220 3.378 1.00 0.00 O
ATOM 5 H SLV 2 3.822 12.560 2.950 1.00 0.00 H
ATOM 6 H1 SLV 2 2.309 12.315 2.757 1.00 0.00 H
ATOM 7 O SLV 3 2.057 7.699 1.221 1.00 0.00 O
ATOM 8 H SLV 3 2.315 6.775 1.215 1.00 0.00 H
ATOM 9 H1 SLV 3 2.847 8.215 1.388 1.00 0.00 H
ATOM 10 O SLV 4 3.227 9.231 10.830 1.00 0.00 O
ATOM 11 H SLV 4 2.851 8.702 11.536 1.00 0.00 H
ATOM 12 H1 SLV 4 4.153 8.995 10.759 1.00 0.00 H
ATOM 13 O SLV 5 6.076 13.661 12.776 1.00 0.00 O
ATOM 14 H SLV 5 6.398 13.809 11.885 1.00 0.00 H
ATOM 15 H1 SLV 5 6.131 12.718 12.946 1.00 0.00 H
ATOM 16 O SLV 6 0.242 3.098 9.737 1.00 0.00 O
ATOM 17 H SLV 6 -0.315 2.353 9.504 1.00 0.00 H
ATOM 18 H1 SLV 6 -0.329 3.862 9.832 1.00 0.00 H
ATOM 19 O SLV 7 17.131 15.316 18.399 1.00 0.00 O
ATOM 20 H SLV 7 16.609 16.112 18.519 1.00 0.00 H
ATOM 21 H1 SLV 7 17.882 15.548 17.850 1.00 0.00 H
ATOM 22 O SLV 8 18.288 15.010 9.233 1.00 0.00 O
ATOM 23 H SLV 8 17.818 15.424 9.960 1.00 0.00 H
ATOM 24 H1 SLV 8 18.987 15.610 8.967 1.00 0.00 H
ATOM 25 O SLV 9 10.686 15.450 9.133 1.00 0.00 O
ATOM 26 H SLV 9 10.867 16.057 9.854 1.00 0.00 H
ATOM 27 H1 SLV 9 11.408 15.528 8.507 1.00 0.00 H
ATOM 28 O SLV 10 6.996 12.941 0.018 1.00 0.00 O
ATOM 29 H SLV 10 7.061 13.893 0.112 1.00 0.00 H
ATOM 30 H1 SLV 10 7.758 12.559 0.458 1.00 0.00 H
ATOM 31 O SLV 11 12.986 3.498 16.577 1.00 0.00 O
ATOM 32 H SLV 11 13.741 2.985 16.282 1.00 0.00 H
ATOM 33 H1 SLV 11 13.294 4.392 16.738 1.00 0.00 H
ATOM 34 O SLV 12 9.553 18.721 18.895 1.00 0.00 O
ATOM 35 H SLV 12 8.622 18.943 18.827 1.00 0.00 H
ATOM 36 H1 SLV 12 9.955 18.915 18.047 1.00 0.00 H
ATOM 37 O SLV 13 5.189 9.214 19.255 1.00 0.00 O
ATOM 38 H SLV 13 4.626 9.984 19.151 1.00 0.00 H
ATOM 39 H1 SLV 13 4.614 8.450 19.331 1.00 0.00 H
ATOM 40 O SLV 14 16.763 5.213 10.767 1.00 0.00 O
ATOM 41 H SLV 14 17.596 5.646 10.569 1.00 0.00 H
ATOM 42 H1 SLV 14 16.881 4.277 10.596 1.00 0.00 H
ATOM 43 O SLV 15 20.670 2.710 3.773 1.00 0.00 O
ATOM 44 H SLV 15 19.816 2.304 3.612 1.00 0.00 H
ATOM 45 H1 SLV 15 20.780 2.776 4.724 1.00 0.00 H
ATOM 46 O SLV 16 1.264 21.183 19.034 1.00 0.00 O
ATOM 47 H SLV 16 0.795 20.457 18.618 1.00 0.00 H
ATOM 48 H1 SLV 16 1.919 20.801 19.620 1.00 0.00 H
ATOM 49 O SLV 17 14.717 6.281 20.206 1.00 0.00 O
ATOM 50 H SLV 17 15.648 6.501 20.279 1.00 0.00 H
ATOM 51 H1 SLV 17 14.220 7.039 20.519 1.00 0.00 H
ATOM 52 O SLV 18 14.221 15.384 20.686 1.00 0.00 O
ATOM 53 H SLV 18 13.873 14.663 20.158 1.00 0.00 H
ATOM 54 H1 SLV 18 14.850 15.007 21.304 1.00 0.00 H
ATOM 55 O SLV 19 14.068 15.759 12.718 1.00 0.00 O
ATOM 56 H SLV 19 13.591 15.670 13.546 1.00 0.00 H
ATOM 57 H1 SLV 19 13.723 16.534 12.271 1.00 0.00 H
ATOM 58 O SLV 20 4.106 18.383 2.760 1.00 0.00 O
ATOM 59 H SLV 20 4.981 18.188 2.419 1.00 0.00 H
ATOM 60 H1 SLV 20 3.479 17.873 2.244 1.00 0.00 H
ATOM 61 O SLV 21 7.520 1.806 7.983 1.00 0.00 O
ATOM 62 H SLV 21 7.017 2.615 7.874 1.00 0.00 H
ATOM 63 H1 SLV 21 7.128 1.147 7.407 1.00 0.00 H
ATOM 64 O SLV 22 0.331 12.020 17.747 1.00 0.00 O
ATOM 65 H SLV 22 0.731 12.825 17.414 1.00 0.00 H
ATOM 66 H1 SLV 22 0.570 11.312 17.145 1.00 0.00 H
ATOM 67 O SLV 23 12.616 21.196 5.407 1.00 0.00 O
ATOM 68 H SLV 23 12.740 22.102 5.695 1.00 0.00 H
ATOM 69 H1 SLV 23 13.456 20.890 5.059 1.00 0.00 H
ATOM 70 O SLV 24 2.733 2.316 13.597 1.00 0.00 O
ATOM 71 H SLV 24 3.161 3.048 14.044 1.00 0.00 H
ATOM 72 H1 SLV 24 1.811 2.553 13.480 1.00 0.00 H
ATOM 73 O SLV 25 1.512 16.676 15.565 1.00 0.00 O
ATOM 74 H SLV 25 0.658 16.241 15.557 1.00 0.00 H
ATOM 75 H1 SLV 25 1.394 17.544 15.177 1.00 0.00 H
ATOM 76 O SLV 26 13.927 20.380 12.005 1.00 0.00 O
ATOM 77 H SLV 26 12.974 20.404 11.904 1.00 0.00 H
ATOM 78 H1 SLV 26 14.309 20.477 11.131 1.00 0.00 H
ATOM 79 O SLV 27 -0.189 4.051 6.099 1.00 0.00 O
ATOM 80 H SLV 27 -0.308 3.350 5.456 1.00 0.00 H
ATOM 81 H1 SLV 27 0.273 3.674 6.850 1.00 0.00 H
ATOM 82 O SLV 28 10.259 21.264 1.496 1.00 0.00 O
ATOM 83 H SLV 28 10.226 22.219 1.412 1.00 0.00 H
ATOM 84 H1 SLV 28 10.385 20.905 0.616 1.00 0.00 H
ATOM 85 O SLV 29 6.666 3.930 19.673 1.00 0.00 O
ATOM 86 H SLV 29 5.783 3.718 19.981 1.00 0.00 H
ATOM 87 H1 SLV 29 6.831 3.398 18.892 1.00 0.00 H
ATOM 88 O SLV 30 11.863 1.543 18.500 1.00 0.00 O
ATOM 89 H SLV 30 12.489 0.987 18.968 1.00 0.00 H
ATOM 90 H1 SLV 30 11.412 0.988 17.861 1.00 0.00 H
ATOM 91 O SLV 31 15.571 10.182 20.105 1.00 0.00 O
ATOM 92 H SLV 31 15.440 10.625 19.264 1.00 0.00 H
ATOM 93 H1 SLV 31 14.759 10.277 20.606 1.00 0.00 H
ATOM 94 O SLV 32 8.096 8.595 6.949 1.00 0.00 O
ATOM 95 H SLV 32 7.939 9.540 6.902 1.00 0.00 H
ATOM 96 H1 SLV 32 7.390 8.165 6.464 1.00 0.00 H
ATOM 97 O SLV 33 6.463 10.163 1.220 1.00 0.00 O
ATOM 98 H SLV 33 6.348 10.166 0.268 1.00 0.00 H
ATOM 99 H1 SLV 33 5.603 10.324 1.612 1.00 0.00 H
ATOM 100 O SLV 34 14.614 20.136 0.607 1.00 0.00 O
ATOM 101 H SLV 34 14.091 19.481 1.074 1.00 0.00 H
ATOM 102 H1 SLV 34 14.943 20.756 1.260 1.00 0.00 H
ATOM 103 O SLV 35 15.940 11.628 13.731 1.00 0.00 O
ATOM 104 H SLV 35 16.099 10.909 13.116 1.00 0.00 H
ATOM 105 H1 SLV 35 16.710 12.199 13.707 1.00 0.00 H
ATOM 106 O SLV 36 9.418 15.193 0.722 1.00 0.00 O
ATOM 107 H SLV 36 9.465 15.536 1.617 1.00 0.00 H
ATOM 108 H1 SLV 36 9.591 15.926 0.128 1.00 0.00 H
ATOM 109 O SLV 37 19.109 22.005 1.746 1.00 0.00 O
ATOM 110 H SLV 37 18.333 22.216 2.268 1.00 0.00 H
ATOM 111 H1 SLV 37 19.875 22.148 2.305 1.00 0.00 H
ATOM 112 O SLV 38 4.653 15.758 3.705 1.00 0.00 O
ATOM 113 H SLV 38 4.630 15.220 2.912 1.00 0.00 H
ATOM 114 H1 SLV 38 3.827 15.617 4.170 1.00 0.00 H
ATOM 115 O SLV 39 19.012 19.801 4.754 1.00 0.00 O
ATOM 116 H SLV 39 18.686 19.564 5.624 1.00 0.00 H
ATOM 117 H1 SLV 39 18.440 20.492 4.414 1.00 0.00 H
ATOM 118 O SLV 40 5.841 16.491 18.473 1.00 0.00 O
ATOM 119 H SLV 40 6.478 17.028 18.948 1.00 0.00 H
ATOM 120 H1 SLV 40 6.027 16.589 17.537 1.00 0.00 H
ATOM 121 O SLV 41 5.024 19.643 10.544 1.00 0.00 O
ATOM 122 H SLV 41 4.294 20.254 10.427 1.00 0.00 H
ATOM 123 H1 SLV 41 4.649 18.800 10.809 1.00 0.00 H
ATOM 124 O SLV 42 5.204 20.340 6.521 1.00 0.00 O
ATOM 125 H SLV 42 4.724 21.046 6.957 1.00 0.00 H
ATOM 126 H1 SLV 42 5.831 20.749 5.922 1.00 0.00 H
ATOM 127 O SLV 43 11.002 1.901 13.371 1.00 0.00 O
ATOM 128 H SLV 43 10.797 1.111 12.867 1.00 0.00 H
ATOM 129 H1 SLV 43 11.359 1.616 14.214 1.00 0.00 H
ATOM 130 O SLV 44 6.654 6.831 21.256 1.00 0.00 O
ATOM 131 H SLV 44 6.079 6.455 20.587 1.00 0.00 H
ATOM 132 H1 SLV 44 7.539 6.502 21.089 1.00 0.00 H
ATOM 133 O SLV 45 20.210 3.299 20.775 1.00 0.00 O
ATOM 134 H SLV 45 20.750 2.604 20.393 1.00 0.00 H
ATOM 135 H1 SLV 45 20.800 3.894 21.243 1.00 0.00 H
ATOM 136 O SLV 46 14.602 15.365 16.167 1.00 0.00 O
ATOM 137 H SLV 46 14.049 16.146 16.226 1.00 0.00 H
ATOM 138 H1 SLV 46 15.432 15.633 15.768 1.00 0.00 H
ATOM 139 O SLV 47 0.668 9.590 20.643 1.00 0.00 O
ATOM 140 H SLV 47 0.765 9.812 19.715 1.00 0.00 H
ATOM 141 H1 SLV 47 0.825 10.392 21.145 1.00 0.00 H
ATOM 142 O SLV 48 15.839 4.035 7.119 1.00 0.00 O
ATOM 143 H SLV 48 15.035 3.514 7.065 1.00 0.00 H
ATOM 144 H1 SLV 48 15.584 4.958 7.071 1.00 0.00 H
ATOM 145 O SLV 49 4.062 10.724 16.065 1.00 0.00 O
ATOM 146 H SLV 49 3.630 10.040 16.580 1.00 0.00 H
ATOM 147 H1 SLV 49 3.671 10.713 15.190 1.00 0.00 H
ATOM 148 O SLV 50 15.938 15.887 5.941 1.00 0.00 O
ATOM 149 H SLV 50 15.402 15.786 6.730 1.00 0.00 H
ATOM 150 H1 SLV 50 15.934 16.818 5.711 1.00 0.00 H
ATOM 151 O SLV 51 13.223 3.852 13.643 1.00 0.00 O
ATOM 152 H SLV 51 13.637 3.033 13.363 1.00 0.00 H
ATOM 153 H1 SLV 51 13.923 4.440 13.934 1.00 0.00 H
ATOM 154 O SLV 52 6.458 7.818 16.004 1.00 0.00 O
ATOM 155 H SLV 52 7.029 7.097 15.732 1.00 0.00 H
ATOM 156 H1 SLV 52 5.604 7.676 15.592 1.00 0.00 H
ATOM 157 O SLV 53 7.163 20.486 3.209 1.00 0.00 O
ATOM 158 H SLV 53 6.534 21.109 2.840 1.00 0.00 H
ATOM 159 H1 SLV 53 7.694 20.962 3.850 1.00 0.00 H
ATOM 160 O SLV 54 16.330 6.701 15.865 1.00 0.00 O
ATOM 161 H SLV 54 15.659 6.041 16.050 1.00 0.00 H
ATOM 162 H1 SLV 54 16.285 6.897 14.927 1.00 0.00 H
ATOM 163 O SLV 55 5.615 16.540 13.860 1.00 0.00 O
ATOM 164 H SLV 55 5.468 16.857 14.753 1.00 0.00 H
ATOM 165 H1 SLV 55 4.844 16.027 13.610 1.00 0.00 H
ATOM 166 O SLV 56 16.225 8.463 10.292 1.00 0.00 O
ATOM 167 H SLV 56 16.367 8.297 11.226 1.00 0.00 H
ATOM 168 H1 SLV 56 15.858 7.662 9.914 1.00 0.00 H
ATOM 169 O SLV 57 9.738 7.026 3.002 1.00 0.00 O
ATOM 170 H SLV 57 9.676 7.869 2.550 1.00 0.00 H
ATOM 171 H1 SLV 57 10.623 6.687 2.852 1.00 0.00 H
ATOM 172 O SLV 58 11.254 21.942 15.307 1.00 0.00 O
ATOM 173 H SLV 58 11.488 21.017 15.405 1.00 0.00 H
ATOM 174 H1 SLV 58 10.297 21.992 15.285 1.00 0.00 H
ATOM 175 O SLV 59 7.763 14.830 7.647 1.00 0.00 O
ATOM 176 H SLV 59 6.930 14.365 7.748 1.00 0.00 H
ATOM 177 H1 SLV 59 7.738 15.591 8.230 1.00 0.00 H
ATOM 178 O SLV 60 14.955 1.760 4.036 1.00 0.00 O
ATOM 179 H SLV 60 14.578 0.948 4.380 1.00 0.00 H
ATOM 180 H1 SLV 60 14.589 1.896 3.160 1.00 0.00 H
ATOM 181 O SLV 61 20.381 4.539 15.079 1.00 0.00 O
ATOM 182 H SLV 61 20.958 3.813 15.325 1.00 0.00 H
ATOM 183 H1 SLV 61 20.571 5.268 15.672 1.00 0.00 H
ATOM 184 O SLV 62 14.419 15.237 9.933 1.00 0.00 O
ATOM 185 H SLV 62 13.693 14.613 10.007 1.00 0.00 H
ATOM 186 H1 SLV 62 15.131 14.792 9.470 1.00 0.00 H
ATOM 187 O SLV 63 7.769 5.889 8.551 1.00 0.00 O
ATOM 188 H SLV 63 8.121 5.422 9.311 1.00 0.00 H
ATOM 189 H1 SLV 63 7.258 6.629 8.882 1.00 0.00 H
ATOM 190 O SLV 64 4.078 9.323 6.055 1.00 0.00 O
ATOM 191 H SLV 64 3.596 9.895 5.454 1.00 0.00 H
ATOM 192 H1 SLV 64 4.958 9.206 5.693 1.00 0.00 H
ATOM 193 O SLV 65 16.839 3.947 4.510 1.00 0.00 O
ATOM 194 H SLV 65 17.336 3.128 4.468 1.00 0.00 H
ATOM 195 H1 SLV 65 17.449 4.637 4.779 1.00 0.00 H
ATOM 196 O SLV 66 17.598 18.124 9.525 1.00 0.00 O
ATOM 197 H SLV 66 18.239 18.828 9.643 1.00 0.00 H
ATOM 198 H1 SLV 66 16.755 18.450 9.845 1.00 0.00 H
ATOM 199 O SLV 67 2.158 16.033 18.645 1.00 0.00 O
ATOM 200 H SLV 67 2.223 15.603 19.500 1.00 0.00 H
ATOM 201 H1 SLV 67 2.307 16.970 18.785 1.00 0.00 H
ATOM 202 O SLV 68 9.428 3.877 19.656 1.00 0.00 O
ATOM 203 H SLV 68 10.128 3.586 20.245 1.00 0.00 H
ATOM 204 H1 SLV 68 9.415 4.836 19.682 1.00 0.00 H
ATOM 205 O SLV 69 17.049 21.834 9.490 1.00 0.00 O
ATOM 206 H SLV 69 16.910 21.175 10.173 1.00 0.00 H
ATOM 207 H1 SLV 69 16.203 22.252 9.321 1.00 0.00 H
ATOM 208 O SLV 70 4.390 19.817 17.755 1.00 0.00 O
ATOM 209 H SLV 70 3.615 20.136 17.288 1.00 0.00 H
ATOM 210 H1 SLV 70 4.787 19.133 17.214 1.00 0.00 H
ATOM 211 O SLV 71 18.834 21.313 16.534 1.00 0.00 O
ATOM 212 H SLV 71 18.159 20.640 16.431 1.00 0.00 H
ATOM 213 H1 SLV 71 19.281 21.144 17.366 1.00 0.00 H
ATOM 214 O SLV 72 5.941 6.801 2.866 1.00 0.00 O
ATOM 215 H SLV 72 6.178 7.159 3.724 1.00 0.00 H
ATOM 216 H1 SLV 72 6.456 6.002 2.739 1.00 0.00 H
ATOM 217 O SLV 73 5.425 21.902 14.547 1.00 0.00 O
ATOM 218 H SLV 73 5.730 22.216 15.401 1.00 0.00 H
ATOM 219 H1 SLV 73 5.859 21.063 14.381 1.00 0.00 H
ATOM 220 O SLV 74 9.410 10.783 16.331 1.00 0.00 O
ATOM 221 H SLV 74 9.581 9.974 16.816 1.00 0.00 H
ATOM 222 H1 SLV 74 10.235 11.270 16.287 1.00 0.00 H
ATOM 223 O SLV 75 11.405 6.333 5.809 1.00 0.00 O
ATOM 224 H SLV 75 12.153 6.686 6.296 1.00 0.00 H
ATOM 225 H1 SLV 75 10.620 6.779 6.131 1.00 0.00 H
ATOM 226 O SLV 76 0.387 8.618 9.031 1.00 0.00 O
ATOM 227 H SLV 76 0.759 8.162 9.788 1.00 0.00 H
ATOM 228 H1 SLV 76 0.778 8.232 8.245 1.00 0.00 H
ATOM 229 O SLV 77 17.296 13.300 20.306 1.00 0.00 O
ATOM 230 H SLV 77 16.387 13.050 20.132 1.00 0.00 H
ATOM 231 H1 SLV 77 17.353 13.543 21.232 1.00 0.00 H
ATOM 232 O SLV 78 13.199 3.710 20.939 1.00 0.00 O
ATOM 233 H SLV 78 12.718 4.536 21.024 1.00 0.00 H
ATOM 234 H1 SLV 78 12.624 3.011 21.256 1.00 0.00 H
ATOM 235 O SLV 79 17.427 18.189 0.030 1.00 0.00 O
ATOM 236 H SLV 79 18.087 17.704 0.529 1.00 0.00 H
ATOM 237 H1 SLV 79 16.639 17.643 -0.007 1.00 0.00 H
ATOM 238 O SLV 80 3.132 4.565 11.330 1.00 0.00 O
ATOM 239 H SLV 80 2.247 4.553 10.962 1.00 0.00 H
ATOM 240 H1 SLV 80 3.540 3.723 11.123 1.00 0.00 H
ATOM 241 O SLV 81 19.269 12.971 15.714 1.00 0.00 O
ATOM 242 H SLV 81 20.144 13.355 15.804 1.00 0.00 H
ATOM 243 H1 SLV 81 18.640 13.612 16.051 1.00 0.00 H
ATOM 244 O SLV 82 5.708 6.554 -0.022 1.00 0.00 O
ATOM 245 H SLV 82 5.377 5.689 0.230 1.00 0.00 H
ATOM 246 H1 SLV 82 4.965 7.159 -0.008 1.00 0.00 H
ATOM 247 O SLV 83 10.594 7.358 18.048 1.00 0.00 O
ATOM 248 H SLV 83 10.978 6.480 18.085 1.00 0.00 H
ATOM 249 H1 SLV 83 10.342 7.597 18.942 1.00 0.00 H
ATOM 250 O SLV 84 10.850 15.355 15.096 1.00 0.00 O
ATOM 251 H SLV 84 11.360 15.936 15.663 1.00 0.00 H
ATOM 252 H1 SLV 84 9.923 15.520 15.279 1.00 0.00 H
ATOM 253 O SLV 85 6.345 3.471 4.951 1.00 0.00 O
ATOM 254 H SLV 85 6.116 4.403 4.947 1.00 0.00 H
ATOM 255 H1 SLV 85 5.705 3.023 5.507 1.00 0.00 H
ATOM 256 O SLV 86 8.883 13.159 19.251 1.00 0.00 O
ATOM 257 H SLV 86 8.171 13.761 19.028 1.00 0.00 H
ATOM 258 H1 SLV 86 9.105 13.310 20.172 1.00 0.00 H
ATOM 259 O SLV 87 7.916 4.291 0.909 1.00 0.00 O
ATOM 260 H SLV 87 7.284 3.718 1.346 1.00 0.00 H
ATOM 261 H1 SLV 87 7.717 4.271 -0.029 1.00 0.00 H
ATOM 262 O SLV 88 17.047 21.223 13.234 1.00 0.00 O
ATOM 263 H SLV 88 16.128 21.485 13.307 1.00 0.00 H
ATOM 264 H1 SLV 88 17.528 21.969 12.869 1.00 0.00 H
ATOM 265 O SLV 89 0.726 1.970 0.664 1.00 0.00 O
ATOM 266 H SLV 89 1.342 1.387 0.216 1.00 0.00 H
ATOM 267 H1 SLV 89 0.532 2.695 0.066 1.00 0.00 H
ATOM 268 O SLV 90 7.017 9.014 10.766 1.00 0.00 O
ATOM 269 H SLV 90 7.917 8.898 10.457 1.00 0.00 H
ATOM 270 H1 SLV 90 6.732 9.888 10.493 1.00 0.00 H
ATOM 271 O SLV 91 11.331 9.879 9.671 1.00 0.00 O
ATOM 272 H SLV 91 10.856 10.034 8.852 1.00 0.00 H
ATOM 273 H1 SLV 91 11.908 10.631 9.814 1.00 0.00 H
ATOM 274 O SLV 92 7.587 18.637 11.752 1.00 0.00 O
ATOM 275 H SLV 92 7.381 17.744 12.034 1.00 0.00 H
ATOM 276 H1 SLV 92 8.499 18.810 11.994 1.00 0.00 H
ATOM 277 O SLV 93 17.817 11.124 9.480 1.00 0.00 O
ATOM 278 H SLV 93 16.898 11.073 9.750 1.00 0.00 H
ATOM 279 H1 SLV 93 18.254 10.334 9.803 1.00 0.00 H
ATOM 280 O SLV 94 9.515 4.355 13.076 1.00 0.00 O
ATOM 281 H SLV 94 10.045 5.139 13.232 1.00 0.00 H
ATOM 282 H1 SLV 94 9.236 4.377 12.158 1.00 0.00 H
ATOM 283 O SLV 95 10.807 6.926 9.764 1.00 0.00 O
ATOM 284 H SLV 95 10.056 7.180 10.304 1.00 0.00 H
ATOM 285 H1 SLV 95 10.586 7.131 8.854 1.00 0.00 H
ATOM 286 O SLV 96 4.352 6.703 8.605 1.00 0.00 O
ATOM 287 H SLV 96 3.502 6.284 8.755 1.00 0.00 H
ATOM 288 H1 SLV 96 4.186 7.521 8.134 1.00 0.00 H
ATOM 289 O SLV 97 6.343 13.279 4.671 1.00 0.00 O
ATOM 290 H SLV 97 6.619 13.101 3.769 1.00 0.00 H
ATOM 291 H1 SLV 97 7.076 13.049 5.244 1.00 0.00 H
ATOM 292 O SLV 98 17.691 7.458 18.221 1.00 0.00 O
ATOM 293 H SLV 98 17.930 7.538 19.147 1.00 0.00 H
ATOM 294 H1 SLV 98 18.286 6.818 17.827 1.00 0.00 H
ATOM 295 O SLV 99 13.786 8.843 8.061 1.00 0.00 O
ATOM 296 H SLV 99 13.439 8.336 8.798 1.00 0.00 H
ATOM 297 H1 SLV 99 14.094 9.681 8.412 1.00 0.00 H
ATOM 298 O SLV 100 8.974 13.227 13.464 1.00 0.00 O
ATOM 299 H SLV 100 9.922 13.160 13.599 1.00 0.00 H
ATOM 300 H1 SLV 100 8.549 12.896 14.257 1.00 0.00 H
ATOM 301 C URA 101 10.980 17.619 4.209 1.00 0.00 C
ATOM 302 O URA 101 10.397 16.680 4.699 1.00 0.00 O
ATOM 303 N URA 101 12.200 17.500 3.608 1.00 0.00 N
ATOM 304 N1 URA 101 10.473 18.886 4.210 1.00 0.00 N
ATOM 305 H URA 101 12.620 16.589 3.580 1.00 0.00 H
ATOM 306 H1 URA 101 12.689 18.274 3.200 1.00 0.00 H
ATOM 307 H2 URA 101 9.579 19.033 4.638 1.00 0.00 H
ATOM 308 H3 URA 101 10.952 19.669 3.805 1.00 0.00 H
ATOM 309 C URA 102 11.973 11.545 6.017 1.00 0.00 C
ATOM 310 O URA 102 11.082 12.334 6.231 1.00 0.00 O
ATOM 311 N URA 102 11.746 10.217 5.796 1.00 0.00 N
ATOM 312 N1 URA 102 13.288 11.907 5.976 1.00 0.00 N
ATOM 313 H URA 102 10.797 9.895 5.816 1.00 0.00 H
ATOM 314 H1 URA 102 12.480 9.557 5.618 1.00 0.00 H
ATOM 315 H2 URA 102 13.513 12.872 6.132 1.00 0.00 H
ATOM 316 H3 URA 102 14.031 11.257 5.799 1.00 0.00 H
ATOM 317 C URA 103 13.390 4.658 10.292 1.00 0.00 C
ATOM 318 O URA 103 14.302 4.702 9.499 1.00 0.00 O
ATOM 319 N URA 103 12.630 3.541 10.483 1.00 0.00 N
ATOM 320 N1 URA 103 13.035 5.722 11.070 1.00 0.00 N
ATOM 321 H URA 103 12.846 2.729 9.936 1.00 0.00 H
ATOM 322 H1 URA 103 11.873 3.498 11.138 1.00 0.00 H
ATOM 323 H2 URA 103 13.561 6.570 10.971 1.00 0.00 H
ATOM 324 H3 URA 103 12.280 5.691 11.729 1.00 0.00 H
ATOM 325 C URA 104 20.392 2.907 10.674 1.00 0.00 C
ATOM 326 O URA 104 20.984 3.957 10.576 1.00 0.00 O
ATOM 327 N URA 104 19.848 2.473 11.849 1.00 0.00 N
ATOM 328 N1 URA 104 20.213 2.058 9.621 1.00 0.00 N
ATOM 329 H URA 104 19.951 3.059 12.656 1.00 0.00 H
ATOM 330 H1 URA 104 19.356 1.605 11.937 1.00 0.00 H
ATOM 331 H2 URA 104 20.592 2.327 8.733 1.00 0.00 H
ATOM 332 H3 URA 104 19.722 1.187 9.697 1.00 0.00 H
ATOM 333 C URA 105 10.107 10.008 12.952 1.00 0.00 C
ATOM 334 O URA 105 9.371 10.667 12.255 1.00 0.00 O
ATOM 335 N URA 105 11.446 10.255 13.055 1.00 0.00 N
ATOM 336 N1 URA 105 9.669 8.955 13.702 1.00 0.00 N
ATOM 337 H URA 105 11.822 11.018 12.523 1.00 0.00 H
ATOM 338 H1 URA 105 12.062 9.713 13.630 1.00 0.00 H
ATOM 339 H2 URA 105 8.693 8.728 13.666 1.00 0.00 H
ATOM 340 H3 URA 105 10.275 8.406 14.282 1.00 0.00 H
ATOM 341 C URA 106 14.936 18.963 19.719 1.00 0.00 C
ATOM 342 O URA 106 14.951 18.297 18.710 1.00 0.00 O
ATOM 343 N URA 106 16.068 19.276 20.414 1.00 0.00 N
ATOM 344 N1 URA 106 13.786 19.464 20.257 1.00 0.00 N
ATOM 345 H URA 106 16.942 18.932 20.064 1.00 0.00 H
ATOM 346 H1 URA 106 16.062 19.828 21.251 1.00 0.00 H
ATOM 347 H2 URA 106 12.923 19.265 19.786 1.00 0.00 H
ATOM 348 H3 URA 106 13.767 20.017 21.093 1.00 0.00 H
ATOM 349 C URA 107 6.157 4.923 11.933 1.00 0.00 C
ATOM 350 O URA 107 6.212 4.271 10.917 1.00 0.00 O
ATOM 351 N URA 107 6.435 4.399 13.163 1.00 0.00 N
ATOM 352 N1 URA 107 5.813 6.244 11.947 1.00 0.00 N
ATOM 353 H URA 107 6.692 3.431 13.211 1.00 0.00 H
ATOM 354 H1 URA 107 6.391 4.934 14.009 1.00 0.00 H
ATOM 355 H2 URA 107 5.599 6.681 11.071 1.00 0.00 H
ATOM 356 H3 URA 107 5.767 6.789 12.787 1.00 0.00 H
ATOM 357 C URA 108 2.518 7.484 4.718 1.00 0.00 C
ATOM 358 O URA 108 3.484 7.571 3.997 1.00 0.00 O
ATOM 359 N URA 108 2.412 6.546 5.704 1.00 0.00 N
ATOM 360 N1 URA 108 1.441 8.316 4.614 1.00 0.00 N
ATOM 361 H URA 108 3.176 5.906 5.824 1.00 0.00 H
ATOM 362 H1 URA 108 1.614 6.468 6.305 1.00 0.00 H
ATOM 363 H2 URA 108 1.464 9.026 3.906 1.00 0.00 H
ATOM 364 H3 URA 108 0.637 8.249 5.209 1.00 0.00 H
ATOM 365 C URA 109 10.224 2.870 2.063 1.00 0.00 C
ATOM 366 O URA 109 11.055 3.588 1.557 1.00 0.00 O
ATOM 367 N URA 109 9.388 3.293 3.055 1.00 0.00 N
ATOM 368 N1 URA 109 10.045 1.570 1.690 1.00 0.00 N
ATOM 369 H URA 109 9.477 4.241 3.370 1.00 0.00 H
ATOM 370 H1 URA 109 8.697 2.703 3.479 1.00 0.00 H
ATOM 371 H2 URA 109 10.633 1.206 0.964 1.00 0.00 H
ATOM 372 H3 URA 109 9.358 0.970 2.106 1.00 0.00 H
ATOM 373 N AMK 110 7.917 1.766 11.337 1.00 0.00 N
ATOM 374 H AMK 110 8.534 0.964 11.310 1.00 0.00 H
ATOM 375 H1 AMK 110 6.979 1.439 11.141 1.00 0.00 H
ATOM 376 H2 AMK 110 8.188 2.388 10.585 1.00 0.00 H
ATOM 377 N AMK 111 17.534 3.936 14.016 1.00 0.00 N
ATOM 378 H AMK 111 17.728 4.566 13.247 1.00 0.00 H
ATOM 379 H1 AMK 111 16.564 3.655 13.946 1.00 0.00 H
ATOM 380 H2 AMK 111 17.642 4.460 14.876 1.00 0.00 H
ATOM 381 N AMK 112 17.767 17.641 15.565 1.00 0.00 N
ATOM 382 H AMK 112 18.720 17.812 15.861 1.00 0.00 H
ATOM 383 H1 AMK 112 17.529 18.342 14.875 1.00 0.00 H
ATOM 384 H2 AMK 112 17.165 17.783 16.367 1.00 0.00 H
ATOM 385 N AMK 113 9.087 12.747 10.267 1.00 0.00 N
ATOM 386 H AMK 113 8.331 12.088 10.126 1.00 0.00 H
ATOM 387 H1 AMK 113 8.774 13.650 9.936 1.00 0.00 H
ATOM 388 H2 AMK 113 9.861 12.456 9.681 1.00 0.00 H
ATOM 389 N AMK 114 13.424 7.070 14.703 1.00 0.00 N
ATOM 390 H AMK 114 13.646 7.431 13.783 1.00 0.00 H
ATOM 391 H1 AMK 114 12.454 6.781 14.694 1.00 0.00 H
ATOM 392 H2 AMK 114 13.510 7.835 15.362 1.00 0.00 H
ATOM 393 N AMK 115 4.865 4.178 16.167 1.00 0.00 N
ATOM 394 H AMK 115 3.942 4.593 16.180 1.00 0.00 H
ATOM 395 H1 AMK 115 4.771 3.208 16.440 1.00 0.00 H
ATOM 396 H2 AMK 115 5.421 4.644 16.875 1.00 0.00 H
ATOM 397 N AMK 116 12.668 3.861 5.267 1.00 0.00 N
ATOM 398 H AMK 116 12.804 2.884 5.494 1.00 0.00 H
ATOM 399 H1 AMK 116 11.912 3.919 4.597 1.00 0.00 H
ATOM 400 H2 AMK 116 13.510 4.190 4.808 1.00 0.00 H
ATOM 401 N AMK 117 18.301 16.572 3.026 1.00 0.00 N
ATOM 402 H AMK 117 19.312 16.628 3.005 1.00 0.00 H
ATOM 403 H1 AMK 117 17.954 17.428 3.438 1.00 0.00 H
ATOM 404 H2 AMK 117 18.048 15.809 3.643 1.00 0.00 H
ATOM 405 N AMK 118 7.904 19.835 8.851 1.00 0.00 N
ATOM 406 H AMK 118 8.709 19.275 9.100 1.00 0.00 H
ATOM 407 H1 AMK 118 7.159 19.203 8.588 1.00 0.00 H
ATOM 408 H2 AMK 118 8.149 20.379 8.032 1.00 0.00 H
ATOM 409 N AMK 119 19.576 13.890 12.495 1.00 0.00 N
ATOM 410 H AMK 119 19.631 14.634 13.179 1.00 0.00 H
ATOM 411 H1 AMK 119 18.647 13.908 12.095 1.00 0.00 H
ATOM 412 H2 AMK 119 19.681 13.011 12.988 1.00 0.00 H
ATOM 413 N AMK 120 19.491 10.477 17.443 1.00 0.00 N
ATOM 414 H AMK 120 18.675 10.905 17.864 1.00 0.00 H
ATOM 415 H1 AMK 120 19.287 10.325 16.463 1.00 0.00 H
ATOM 416 H2 AMK 120 19.619 9.569 17.874 1.00 0.00 H
ATOM 417 N AMK 121 16.858 7.318 3.095 1.00 0.00 N
ATOM 418 H AMK 121 16.315 8.112 3.410 1.00 0.00 H
ATOM 419 H1 AMK 121 16.263 6.501 3.140 1.00 0.00 H
ATOM 420 H2 AMK 121 17.616 7.184 3.754 1.00 0.00 H
ATOM 421 N AMK 122 9.593 3.529 7.261 1.00 0.00 N
ATOM 422 H AMK 122 10.293 3.052 6.706 1.00 0.00 H
ATOM 423 H1 AMK 122 9.383 4.407 6.803 1.00 0.00 H
ATOM 424 H2 AMK 122 10.008 3.744 8.160 1.00 0.00 H
ATOM 425 N AMK 123 5.118 11.749 8.235 1.00 0.00 N
ATOM 426 H AMK 123 4.293 11.176 8.110 1.00 0.00 H
ATOM 427 H1 AMK 123 4.811 12.705 8.368 1.00 0.00 H
ATOM 428 H2 AMK 123 5.649 11.715 7.373 1.00 0.00 H
ATOM 429 N AMK 124 18.982 4.797 7.425 1.00 0.00 N
ATOM 430 H AMK 124 18.555 3.918 7.689 1.00 0.00 H
ATOM 431 H1 AMK 124 19.830 4.903 7.967 1.00 0.00 H
ATOM 432 H2 AMK 124 18.349 5.540 7.698 1.00 0.00 H
TER
ENDMDL