# MSMS solvent excluded surface vertices for 1crn.xyzr #vertex #sphere probe_r density 2388 327 1.00 1.50 -3.724 7.721 4.397 -0.448 0.474 -0.758 0 212 1 -3.505 8.852 4.391 -0.594 -0.280 -0.754 0 209 1 -3.310 8.244 4.277 -0.724 0.125 -0.678 0 211 1 -3.089 8.492 7.029 -0.349 -0.492 0.798 0 209 1 -3.345 7.394 6.794 -0.177 0.240 0.954 0 212 1 -2.893 7.884 6.915 -0.479 -0.087 0.874 0 211 1 -1.804 6.734 6.494 0.161 -0.763 0.626 0 211 1 -2.356 6.349 6.412 0.529 -0.506 0.681 0 212 1 -1.205 6.581 6.366 -0.238 -0.661 0.712 0 210 1 -1.641 6.965 3.877 -0.494 -0.435 -0.753 0 210 1 -2.752 6.697 4.150 0.246 -0.257 -0.935 0 212 1 -2.240 7.118 4.005 -0.095 -0.537 -0.838 0 211 1 -1.250 8.587 3.774 -0.264 0.519 -0.813 0 210 1 -1.849 8.740 3.902 0.136 0.417 -0.899 0 211 1 -0.784 9.077 3.747 -0.574 0.192 -0.796 0 208 1 -0.790 9.102 3.758 -0.578 0.207 -0.789 0 208 1 -1.855 8.765 3.913 0.132 0.432 -0.892 0 211 1 -0.975 9.708 3.877 -0.454 -0.197 -0.869 0 206 1 -0.984 9.717 3.880 -0.460 -0.193 -0.867 0 206 1 -1.864 8.773 3.916 0.127 0.436 -0.891 0 211 1 -1.614 9.854 4.016 -0.040 -0.284 -0.958 0 207 1 -1.620 9.855 4.016 -0.043 -0.283 -0.958 0 207 1 -1.869 8.774 3.916 0.123 0.437 -0.891 0 211 1 -2.065 9.383 4.029 0.254 0.032 -0.967 0 209 1 -2.110 10.406 7.248 -0.331 0.041 0.943 0 207 1 -2.555 9.934 7.261 -0.035 0.356 0.934 0 209 1 -1.111 10.553 8.601 -0.998 -0.057 0.040 0 204 1 -0.586 9.537 8.554 -0.623 -0.782 0.006 0 204 1 -1.977 8.816 7.208 0.305 -0.302 0.903 0 209 1 -1.782 8.207 7.095 0.175 0.104 0.979 0 211 1 -0.223 9.331 8.450 -0.363 -0.929 -0.068 0 204 1 -1.382 7.981 6.980 0.410 -0.029 0.912 0 211 1 -0.783 7.828 6.851 0.010 0.073 0.997 0 210 1 0.320 9.246 8.349 0.024 -0.990 -0.140 0 204 1 -0.187 7.735 6.741 0.361 0.018 0.932 0 210 1 0.279 8.225 6.715 0.051 -0.309 0.950 0 208 1 0.385 8.122 6.668 0.113 -0.370 0.922 0 208 1 -0.081 7.632 6.694 0.424 -0.043 0.905 0 210 1 1.932 7.922 7.575 -0.918 -0.236 0.318 0 219 1 1.986 7.706 7.522 -0.886 -0.363 0.287 0 219 1 -0.027 7.416 6.642 0.455 -0.170 0.874 0 210 1 1.597 5.997 7.857 -0.627 0.776 0.064 0 81 1 1.151 5.452 7.816 -0.889 0.456 0.040 0 81 1 -0.472 6.871 6.601 0.193 -0.491 0.850 0 210 1 0.748 5.010 8.220 -0.620 0.750 -0.230 0 82 1 0.150 6.255 6.417 -0.317 -0.704 0.635 0 210 1 0.851 5.185 7.349 -0.946 0.255 -0.200 0 82 1 0.725 4.303 7.424 -0.634 0.334 -0.698 0 82 1 -0.495 6.164 5.805 0.180 -0.907 0.381 0 210 1 1.128 4.744 7.020 -0.903 0.040 -0.429 0 81 1 1.622 4.786 6.408 -0.612 0.064 -0.788 0 81 1 -0.002 6.205 5.193 0.470 -0.882 0.022 0 210 1 2.168 4.943 4.911 -0.977 -0.041 0.210 0 80 1 2.244 5.222 4.124 -0.923 0.158 -0.352 0 80 1 0.081 6.511 4.328 0.519 -0.702 -0.487 0 210 1 1.881 6.354 2.961 -0.681 -0.597 0.424 0 115 1 1.739 6.408 2.767 -0.765 -0.565 0.310 0 115 1 -0.061 6.566 4.134 0.435 -0.670 -0.601 0 210 1 1.669 5.900 2.245 -0.718 -0.226 0.658 0 112 1 1.304 6.518 1.693 -0.933 0.137 0.334 0 112 1 -0.426 7.183 3.582 0.221 -0.307 -0.926 0 210 1 1.374 7.026 2.215 -0.979 -0.202 -0.015 0 115 1 1.352 7.169 2.170 -0.992 -0.118 -0.041 0 115 1 -0.448 7.327 3.537 0.208 -0.223 -0.953 0 210 1 1.053 7.884 1.905 -0.793 -0.595 0.135 0 116 1 0.694 8.735 1.879 -0.982 -0.147 0.121 0 116 1 -0.789 8.135 3.511 0.007 0.253 -0.967 0 210 1 -0.323 8.625 3.485 -0.304 -0.073 -0.950 0 208 1 0.734 9.439 1.960 -0.961 0.224 0.164 0 116 1 -0.285 9.295 3.562 -0.281 0.320 -0.905 0 208 1 -0.471 9.901 3.681 -0.158 -0.084 -0.984 0 206 1 1.027 10.082 2.000 -0.806 0.562 0.185 0 116 1 -0.192 10.512 3.720 0.006 0.275 -0.961 0 206 1 0.257 11.067 3.705 -0.293 -0.095 -0.951 0 205 1 -0.248 11.483 3.973 -0.590 0.149 -0.794 0 205 1 -0.697 10.927 3.988 -0.291 0.520 -0.804 0 206 1 -1.327 11.064 4.124 0.129 0.428 -0.894 0 207 1 -0.450 12.398 5.059 -0.709 0.688 -0.155 0 205 1 -1.529 11.980 5.210 0.010 0.967 -0.256 0 207 1 -0.469 12.781 5.684 -0.697 0.433 -0.572 0 202 1 -0.782 12.144 7.457 -0.880 0.058 0.471 0 202 1 -1.842 11.344 6.983 -0.174 0.592 0.787 0 207 1 -0.867 11.404 8.361 -0.824 0.552 -0.132 0 204 1 -0.531 12.448 7.741 -0.733 0.237 0.638 0 202 1 -0.639 11.680 8.619 -0.661 0.749 0.053 0 204 1 -0.297 13.480 8.579 -0.889 -0.451 0.079 0 197 1 0.975 13.261 9.579 0.020 -0.608 0.794 0 197 1 0.633 11.461 9.619 0.248 0.592 0.767 0 204 1 1.061 11.775 9.385 -0.038 0.382 0.923 0 203 1 1.076 11.760 9.391 -0.029 0.373 0.927 0 203 1 0.646 11.447 9.625 0.257 0.582 0.771 0 204 1 2.240 11.469 10.523 -0.805 0.567 0.173 0 215 1 2.081 9.946 10.722 -0.899 -0.329 0.290 0 215 1 0.502 10.063 9.806 0.154 -0.407 0.901 0 204 1 1.789 9.706 10.122 -0.704 -0.169 0.690 0 214 1 1.785 8.810 8.733 -0.706 -0.696 -0.127 0 214 1 0.498 9.248 8.544 0.152 -0.988 -0.001 0 204 1 2.023 8.027 7.836 -0.865 -0.175 0.471 0 219 1 1.922 8.031 7.616 -0.924 -0.172 0.342 0 219 1 0.407 9.252 8.344 0.086 -0.986 -0.144 0 204 1 0.375 8.231 6.709 0.107 -0.305 0.946 0 208 1 2.132 8.529 9.070 -0.502 -0.862 0.071 0 214 1 2.370 7.746 8.173 -0.661 -0.340 0.669 0 219 1 1.981 6.037 8.507 -0.401 0.800 0.446 0 81 1 2.165 8.515 9.122 -0.483 -0.870 0.101 0 214 1 2.014 6.023 8.558 -0.382 0.792 0.477 0 81 1 1.417 5.731 9.520 0.015 0.986 -0.165 0 84 1 0.652 5.260 8.940 -0.494 0.672 -0.551 0 84 1 1.201 5.522 7.942 -0.860 0.497 0.114 0 81 1 0.797 5.081 8.346 -0.591 0.792 -0.155 0 82 1 0.187 3.374 9.619 -0.805 -0.586 -0.099 0 84 1 0.303 3.076 9.067 -0.882 -0.387 0.269 0 82 1 0.318 2.556 8.795 -0.892 -0.041 0.450 0 83 1 0.991 3.128 6.998 -0.412 0.368 -0.834 0 83 1 1.043 3.706 7.089 -0.447 -0.017 -0.895 0 82 1 1.446 4.148 6.685 -0.716 -0.311 -0.625 0 81 1 1.094 3.059 6.925 -0.338 0.318 -0.886 0 83 1 1.560 4.071 6.605 -0.649 -0.357 -0.672 0 81 1 1.974 3.723 6.138 -0.924 -0.125 -0.361 0 78 1 2.075 4.135 5.921 -0.865 0.117 -0.488 0 78 1 1.662 4.482 6.388 -0.589 -0.114 -0.800 0 81 1 2.205 4.668 4.893 -0.951 -0.238 0.197 0 80 1 2.207 3.736 5.721 -0.787 -0.117 -0.606 0 78 1 2.325 4.306 4.711 -0.865 -0.497 0.067 0 80 1 1.810 2.807 3.779 -0.522 0.502 0.689 0 108 1 1.718 3.197 3.226 -0.576 0.732 0.364 0 108 1 2.241 4.660 4.209 -0.925 -0.244 -0.291 0 80 1 1.102 3.137 2.850 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19.265 -0.707 0.707 0.000 1359 301 3 11.277 15.269 20.206 -0.707 0.219 0.672 1359 301 3 13.458 13.018 21.172 0.309 0.165 0.937 1360 298 3 12.408 13.018 21.172 -0.309 0.165 0.937 1360 298 3 12.408 11.929 20.980 -0.309 -0.476 0.824 1360 298 3 11.982 4.849 17.286 -0.000 -0.000 1.000 1364 325 3 14.468 2.768 15.934 0.707 -0.354 0.612 1366 326 3 14.468 2.237 15.015 0.707 -0.707 -0.000 1366 326 3 13.939 11.070 0.292 1.000 0.000 0.000 1374 169 3 13.529 10.269 -0.290 0.707 -0.572 -0.416 1374 169 3 17.047 14.359 2.148 -0.000 0.174 -0.985 1379 1 3 17.601 16.275 16.145 0.309 0.951 0.000 1391 287 3 17.601 15.897 17.184 0.309 0.729 0.611 1391 287 3 15.434 8.560 20.156 -0.000 -0.707 0.707 1396 293 3 17.380 7.099 16.682 1.000 0.000 0.000 1397 318 3 17.055 6.291 17.269 0.809 -0.476 0.345 1397 318 3 16.205 6.291 18.082 0.309 -0.476 0.824 1397 318 3 16.205 5.580 17.235 0.309 -0.894 0.325 1397 318 3 15.155 6.291 18.082 -0.309 -0.476 0.824 1397 318 3 17.493 5.705 14.039 1.000 0.000 0.000 1398 317 3 17.083 4.904 13.457 0.707 -0.572 -0.416 1398 317 3 17.083 6.011 13.098 0.707 0.219 -0.672 1398 317 3 17.786 9.122 10.237 0.309 -0.951 -0.000 1400 282 3 18.675 10.027 5.751 0.309 -0.894 -0.325 1401 7 3 21.583 18.048 3.004 0.707 0.219 -0.672 1405 257 3 20.593 17.742 2.545 -0.000 0.000 -1.000 1405 257 3 20.320 21.363 4.783 0.809 0.588 0.000 1408 258 3 19.470 20.645 3.191 0.309 0.165 -0.937 1408 258 3 19.470 21.603 3.744 0.309 0.729 -0.611 1408 258 3 19.613 21.246 6.858 0.809 0.182 0.559 1409 259 3 18.763 22.554 5.908 0.309 0.951 0.000 1409 259 3 18.763 22.176 6.947 0.309 0.729 0.611 1409 259 3 17.713 22.554 5.908 -0.309 0.951 0.000 1409 259 3 22.827 17.968 6.513 0.809 0.588 0.000 1411 262 3 21.977 18.208 7.552 0.309 0.729 0.611 1411 262 3 24.715 13.244 13.912 0.809 0.182 0.559 1414 276 3 24.715 12.127 13.549 0.809 -0.476 0.345 1414 276 3 23.865 14.174 14.001 0.309 0.729 0.611 1414 276 3 23.865 13.216 14.554 0.309 0.165 0.937 1414 276 3 23.865 12.127 14.362 0.309 -0.476 0.824 1414 276 3 23.865 11.416 13.515 0.309 -0.894 0.325 1414 276 3 18.709 10.148 19.278 0.809 -0.476 0.345 1418 291 3 17.859 11.237 20.283 0.309 0.165 0.937 1418 291 3 21.869 9.987 8.435 -0.000 -1.000 -0.000 1424 268 3 24.946 12.697 6.275 1.000 0.000 0.000 1425 269 3 24.621 13.696 6.275 0.809 0.588 0.000 1425 269 3 24.621 11.889 6.862 0.809 -0.476 0.345 1425 269 3 24.621 11.889 5.688 0.809 -0.476 -0.345 1425 269 3 24.621 13.006 5.325 0.809 0.182 -0.559 1425 269 3 23.771 11.178 5.722 0.309 -0.894 -0.325 1425 269 3 23.771 11.889 4.875 0.309 -0.476 -0.824 1425 269 3 23.771 12.978 4.683 0.309 0.165 -0.937 1425 269 3 25.684 13.401 10.709 1.000 0.000 0.000 1430 275 3 25.274 14.391 10.709 0.707 0.707 0.000 1430 275 3 25.274 12.600 10.127 0.707 -0.572 -0.416 1430 275 3