USER MOD reduce.3.24.130724 H: found=0, std=0, add=157, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 160 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 204 SER OG : rot -45:sc= 0.512 USER MOD Single : B 207 SER OG : rot 180:sc= 0.101 USER MOD ----------------------------------------------------------------- ATOM 1105 N ARG B 201 -1.392 15.633 -1.467 1.00 0.00 N ATOM 1106 CA ARG B 201 -0.551 14.482 -1.848 1.00 0.00 C ATOM 1107 C ARG B 201 -0.182 13.636 -0.599 1.00 0.00 C ATOM 1108 O ARG B 201 0.763 14.014 0.093 1.00 0.00 O ATOM 1109 CB ARG B 201 0.730 14.917 -2.623 1.00 0.00 C ATOM 1110 CG ARG B 201 0.733 16.248 -3.415 1.00 0.00 C ATOM 1111 CD ARG B 201 1.072 17.545 -2.637 1.00 0.00 C ATOM 1112 NE ARG B 201 2.361 17.489 -1.897 1.00 0.00 N ATOM 1113 CZ ARG B 201 3.352 18.415 -1.883 1.00 0.00 C ATOM 1114 NH1 ARG B 201 3.285 19.537 -2.601 1.00 0.00 N ATOM 1115 NH2 ARG B 201 4.444 18.219 -1.142 1.00 0.00 N ATOM 0 HA ARG B 201 -1.139 13.864 -2.527 1.00 0.00 H new ATOM 0 HB2 ARG B 201 1.546 14.965 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG B 201 0.972 14.120 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG B 201 1.447 16.151 -4.233 1.00 0.00 H new ATOM 0 HG3 ARG B 201 -0.252 16.374 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG B 201 1.104 18.379 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG B 201 0.268 17.753 -1.931 1.00 0.00 H new ATOM 0 HE ARG B 201 2.519 16.654 -1.332 1.00 0.00 H new ATOM 0 HH11 ARG B 201 2.469 19.721 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG B 201 4.049 20.211 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG B 201 4.536 17.370 -0.583 1.00 0.00 H new ATOM 0 HH22 ARG B 201 5.187 18.918 -1.134 1.00 0.00 H new ATOM 1131 N ARG B 202 -0.871 12.523 -0.277 1.00 0.00 N ATOM 1132 CA ARG B 202 -0.571 11.683 0.904 1.00 0.00 C ATOM 1133 C ARG B 202 -1.106 10.239 0.750 1.00 0.00 C ATOM 1134 O ARG B 202 -2.095 9.855 1.369 1.00 0.00 O ATOM 1135 CB ARG B 202 -1.155 12.368 2.159 1.00 0.00 C ATOM 1136 CG ARG B 202 -0.698 11.767 3.499 1.00 0.00 C ATOM 1137 CD ARG B 202 -1.605 12.232 4.651 1.00 0.00 C ATOM 1138 NE ARG B 202 -0.868 12.363 5.922 1.00 0.00 N ATOM 1139 CZ ARG B 202 -0.687 11.418 6.848 1.00 0.00 C ATOM 1140 NH1 ARG B 202 -1.337 10.264 6.783 1.00 0.00 N ATOM 1141 NH2 ARG B 202 0.176 11.646 7.829 1.00 0.00 N ATOM 0 H ARG B 202 -1.655 12.178 -0.830 1.00 0.00 H new ATOM 0 HA ARG B 202 0.511 11.592 1.003 1.00 0.00 H new ATOM 0 HB2 ARG B 202 -0.882 13.423 2.139 1.00 0.00 H new ATOM 0 HB3 ARG B 202 -2.243 12.319 2.108 1.00 0.00 H new ATOM 0 HG2 ARG B 202 -0.712 10.679 3.437 1.00 0.00 H new ATOM 0 HG3 ARG B 202 0.332 12.061 3.701 1.00 0.00 H new ATOM 0 HD2 ARG B 202 -2.054 13.191 4.393 1.00 0.00 H new ATOM 0 HD3 ARG B 202 -2.422 11.521 4.778 1.00 0.00 H new ATOM 0 HE ARG B 202 -0.452 13.274 6.114 1.00 0.00 H new ATOM 0 HH11 ARG B 202 -1.987 10.087 6.017 1.00 0.00 H new ATOM 0 HH12 ARG B 202 -1.187 9.553 7.499 1.00 0.00 H new ATOM 0 HH21 ARG B 202 0.685 12.529 7.865 1.00 0.00 H new ATOM 0 HH22 ARG B 202 0.330 10.938 8.547 1.00 0.00 H new ATOM 1155 N GLY B 203 -0.398 9.382 0.010 1.00 0.00 N ATOM 1156 CA GLY B 203 -0.795 7.996 -0.275 1.00 0.00 C ATOM 1157 C GLY B 203 -0.603 7.007 0.884 1.00 0.00 C ATOM 1158 O GLY B 203 -0.245 5.857 0.645 1.00 0.00 O ATOM 0 H GLY B 203 0.491 9.637 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY B 203 -1.845 7.989 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY B 203 -0.224 7.641 -1.133 1.00 0.00 H new ATOM 1162 N SER B 204 -0.836 7.426 2.129 1.00 0.00 N ATOM 1163 CA SER B 204 -0.566 6.743 3.401 1.00 0.00 C ATOM 1164 C SER B 204 -1.522 5.560 3.683 1.00 0.00 C ATOM 1165 O SER B 204 -1.942 5.352 4.825 1.00 0.00 O ATOM 1166 CB SER B 204 -0.624 7.818 4.506 1.00 0.00 C ATOM 1167 OG SER B 204 -0.249 7.316 5.774 1.00 0.00 O ATOM 0 H SER B 204 -1.259 8.340 2.290 1.00 0.00 H new ATOM 0 HA SER B 204 0.419 6.277 3.363 1.00 0.00 H new ATOM 0 HB2 SER B 204 0.033 8.645 4.238 1.00 0.00 H new ATOM 0 HB3 SER B 204 -1.635 8.220 4.563 1.00 0.00 H new ATOM 0 HG SER B 204 -0.689 6.454 5.928 1.00 0.00 H new ATOM 1173 N ARG B 205 -1.912 4.799 2.661 1.00 0.00 N ATOM 1174 CA ARG B 205 -2.831 3.671 2.788 1.00 0.00 C ATOM 1175 C ARG B 205 -2.201 2.526 3.576 1.00 0.00 C ATOM 1176 O ARG B 205 -1.188 1.993 3.116 1.00 0.00 O ATOM 1177 CB ARG B 205 -3.224 3.131 1.402 1.00 0.00 C ATOM 1178 CG ARG B 205 -4.527 3.738 0.890 1.00 0.00 C ATOM 1179 CD ARG B 205 -5.744 3.191 1.647 1.00 0.00 C ATOM 1180 NE ARG B 205 -6.961 3.857 1.189 1.00 0.00 N ATOM 1181 CZ ARG B 205 -8.214 3.412 1.298 1.00 0.00 C ATOM 1182 NH1 ARG B 205 -8.512 2.211 1.775 1.00 0.00 N ATOM 1183 NH2 ARG B 205 -9.197 4.203 0.917 1.00 0.00 N ATOM 0 H ARG B 205 -1.592 4.953 1.705 1.00 0.00 H new ATOM 0 HA ARG B 205 -3.711 4.039 3.315 1.00 0.00 H new ATOM 0 HB2 ARG B 205 -2.424 3.343 0.692 1.00 0.00 H new ATOM 0 HB3 ARG B 205 -3.327 2.047 1.453 1.00 0.00 H new ATOM 0 HG2 ARG B 205 -4.490 4.822 0.996 1.00 0.00 H new ATOM 0 HG3 ARG B 205 -4.634 3.525 -0.174 1.00 0.00 H new ATOM 0 HD2 ARG B 205 -5.827 2.116 1.489 1.00 0.00 H new ATOM 0 HD3 ARG B 205 -5.616 3.347 2.718 1.00 0.00 H new ATOM 0 HE ARG B 205 -6.839 4.763 0.736 1.00 0.00 H new ATOM 0 HH11 ARG B 205 -7.767 1.583 2.078 1.00 0.00 H new ATOM 0 HH12 ARG B 205 -9.486 1.915 1.839 1.00 0.00 H new ATOM 0 HH21 ARG B 205 -8.991 5.132 0.549 1.00 0.00 H new ATOM 0 HH22 ARG B 205 -10.164 3.886 0.990 1.00 0.00 H new ATOM 1197 N PRO B 206 -2.822 2.056 4.673 1.00 0.00 N ATOM 1198 CA PRO B 206 -2.568 0.705 5.140 1.00 0.00 C ATOM 1199 C PRO B 206 -3.156 -0.317 4.149 1.00 0.00 C ATOM 1200 O PRO B 206 -3.974 0.029 3.290 1.00 0.00 O ATOM 1201 CB PRO B 206 -3.203 0.636 6.531 1.00 0.00 C ATOM 1202 CG PRO B 206 -4.344 1.652 6.467 1.00 0.00 C ATOM 1203 CD PRO B 206 -3.865 2.697 5.461 1.00 0.00 C ATOM 0 HA PRO B 206 -1.507 0.463 5.201 1.00 0.00 H new ATOM 0 HB2 PRO B 206 -3.572 -0.365 6.752 1.00 0.00 H new ATOM 0 HB3 PRO B 206 -2.485 0.890 7.311 1.00 0.00 H new ATOM 0 HG2 PRO B 206 -5.274 1.185 6.143 1.00 0.00 H new ATOM 0 HG3 PRO B 206 -4.534 2.098 7.443 1.00 0.00 H new ATOM 0 HD2 PRO B 206 -4.685 3.029 4.824 1.00 0.00 H new ATOM 0 HD3 PRO B 206 -3.480 3.580 5.971 1.00 0.00 H new ATOM 1211 N SER B 207 -2.755 -1.580 4.272 1.00 0.00 N ATOM 1212 CA SER B 207 -2.916 -2.631 3.284 1.00 0.00 C ATOM 1213 C SER B 207 -4.285 -3.302 3.308 1.00 0.00 C ATOM 1214 O SER B 207 -5.121 -2.957 4.134 1.00 0.00 O ATOM 1215 CB SER B 207 -1.827 -3.645 3.574 1.00 0.00 C ATOM 1216 OG SER B 207 -2.038 -4.321 4.795 1.00 0.00 O ATOM 0 H SER B 207 -2.283 -1.911 5.113 1.00 0.00 H new ATOM 0 HA SER B 207 -2.839 -2.199 2.286 1.00 0.00 H new ATOM 0 HB2 SER B 207 -1.783 -4.371 2.762 1.00 0.00 H new ATOM 0 HB3 SER B 207 -0.861 -3.140 3.603 1.00 0.00 H new ATOM 0 HG SER B 207 -1.314 -4.966 4.941 1.00 0.00 H new ATOM 1222 N GLY B 208 -4.510 -4.295 2.438 1.00 0.00 N ATOM 1223 CA GLY B 208 -5.754 -5.054 2.390 1.00 0.00 C ATOM 1224 C GLY B 208 -6.179 -5.517 3.784 1.00 0.00 C ATOM 1225 O GLY B 208 -7.272 -5.151 4.236 1.00 0.00 O ATOM 0 H GLY B 208 -3.824 -4.592 1.744 1.00 0.00 H new ATOM 0 HA2 GLY B 208 -6.541 -4.439 1.954 1.00 0.00 H new ATOM 0 HA3 GLY B 208 -5.629 -5.920 1.740 1.00 0.00 H new ATOM 1229 N ALA B 209 -5.331 -6.287 4.478 1.00 0.00 N ATOM 1230 CA ALA B 209 -5.665 -6.809 5.797 1.00 0.00 C ATOM 1231 C ALA B 209 -5.418 -5.781 6.908 1.00 0.00 C ATOM 1232 O ALA B 209 -6.094 -5.845 7.936 1.00 0.00 O ATOM 1233 CB ALA B 209 -4.909 -8.112 6.073 1.00 0.00 C ATOM 0 H ALA B 209 -4.407 -6.559 4.141 1.00 0.00 H new ATOM 0 HA ALA B 209 -6.734 -7.024 5.798 1.00 0.00 H new ATOM 0 HB1 ALA B 209 -5.174 -8.484 7.063 1.00 0.00 H new ATOM 0 HB2 ALA B 209 -5.179 -8.855 5.323 1.00 0.00 H new ATOM 0 HB3 ALA B 209 -3.836 -7.926 6.030 1.00 0.00 H new ATOM 1239 N GLU B 210 -4.490 -4.831 6.764 1.00 0.00 N ATOM 1240 CA GLU B 210 -4.248 -3.867 7.839 1.00 0.00 C ATOM 1241 C GLU B 210 -5.376 -2.831 7.883 1.00 0.00 C ATOM 1242 O GLU B 210 -5.908 -2.505 8.944 1.00 0.00 O ATOM 1243 CB GLU B 210 -2.869 -3.214 7.673 1.00 0.00 C ATOM 1244 CG GLU B 210 -2.421 -2.469 8.940 1.00 0.00 C ATOM 1245 CD GLU B 210 -2.329 -3.428 10.128 1.00 0.00 C ATOM 1246 OE1 GLU B 210 -1.562 -4.417 10.030 1.00 0.00 O ATOM 1247 OE2 GLU B 210 -3.108 -3.278 11.097 1.00 0.00 O ATOM 0 H GLU B 210 -3.907 -4.710 5.936 1.00 0.00 H new ATOM 0 HA GLU B 210 -4.244 -4.388 8.796 1.00 0.00 H new ATOM 0 HB2 GLU B 210 -2.134 -3.980 7.425 1.00 0.00 H new ATOM 0 HB3 GLU B 210 -2.898 -2.517 6.835 1.00 0.00 H new ATOM 0 HG2 GLU B 210 -1.452 -2.001 8.769 1.00 0.00 H new ATOM 0 HG3 GLU B 210 -3.126 -1.669 9.166 1.00 0.00 H new ATOM 1254 N ARG B 211 -5.827 -2.353 6.723 1.00 0.00 N ATOM 1255 CA ARG B 211 -6.996 -1.491 6.619 1.00 0.00 C ATOM 1256 C ARG B 211 -8.241 -2.233 7.103 1.00 0.00 C ATOM 1257 O ARG B 211 -9.100 -1.583 7.691 1.00 0.00 O ATOM 1258 CB ARG B 211 -7.104 -0.942 5.186 1.00 0.00 C ATOM 1259 CG ARG B 211 -8.138 0.181 4.984 1.00 0.00 C ATOM 1260 CD ARG B 211 -9.466 -0.429 4.510 1.00 0.00 C ATOM 1261 NE ARG B 211 -10.497 0.518 4.043 1.00 0.00 N ATOM 1262 CZ ARG B 211 -11.606 0.094 3.415 1.00 0.00 C ATOM 1263 NH1 ARG B 211 -11.817 -1.205 3.227 1.00 0.00 N ATOM 1264 NH2 ARG B 211 -12.528 0.931 2.976 1.00 0.00 N ATOM 0 H ARG B 211 -5.386 -2.556 5.826 1.00 0.00 H new ATOM 0 HA ARG B 211 -6.897 -0.624 7.272 1.00 0.00 H new ATOM 0 HB2 ARG B 211 -6.125 -0.570 4.883 1.00 0.00 H new ATOM 0 HB3 ARG B 211 -7.353 -1.766 4.517 1.00 0.00 H new ATOM 0 HG2 ARG B 211 -8.287 0.725 5.916 1.00 0.00 H new ATOM 0 HG3 ARG B 211 -7.773 0.900 4.250 1.00 0.00 H new ATOM 0 HD2 ARG B 211 -9.251 -1.126 3.700 1.00 0.00 H new ATOM 0 HD3 ARG B 211 -9.885 -1.012 5.330 1.00 0.00 H new ATOM 0 HE ARG B 211 -10.364 1.517 4.201 1.00 0.00 H new ATOM 0 HH11 ARG B 211 -11.135 -1.886 3.560 1.00 0.00 H new ATOM 0 HH12 ARG B 211 -12.661 -1.521 2.749 1.00 0.00 H new ATOM 0 HH21 ARG B 211 -12.410 1.935 3.110 1.00 0.00 H new ATOM 0 HH22 ARG B 211 -13.358 0.573 2.503 1.00 0.00 H new ATOM 1278 N ARG B 212 -8.344 -3.563 6.973 1.00 0.00 N ATOM 1279 CA ARG B 212 -9.353 -4.375 7.622 1.00 0.00 C ATOM 1280 C ARG B 212 -9.343 -4.161 9.128 1.00 0.00 C ATOM 1281 O ARG B 212 -10.389 -3.846 9.698 1.00 0.00 O ATOM 1282 CB ARG B 212 -9.065 -5.834 7.232 1.00 0.00 C ATOM 1283 CG ARG B 212 -10.315 -6.659 7.023 1.00 0.00 C ATOM 1284 CD ARG B 212 -10.726 -7.436 8.282 1.00 0.00 C ATOM 1285 NE ARG B 212 -9.808 -8.562 8.539 1.00 0.00 N ATOM 1286 CZ ARG B 212 -9.868 -9.772 7.963 1.00 0.00 C ATOM 1287 NH1 ARG B 212 -10.866 -10.093 7.144 1.00 0.00 N ATOM 1288 NH2 ARG B 212 -8.930 -10.680 8.200 1.00 0.00 N ATOM 0 H ARG B 212 -7.704 -4.108 6.395 1.00 0.00 H new ATOM 0 HA ARG B 212 -10.355 -4.096 7.297 1.00 0.00 H new ATOM 0 HB2 ARG B 212 -8.473 -5.847 6.317 1.00 0.00 H new ATOM 0 HB3 ARG B 212 -8.459 -6.297 8.011 1.00 0.00 H new ATOM 0 HG2 ARG B 212 -11.132 -6.004 6.722 1.00 0.00 H new ATOM 0 HG3 ARG B 212 -10.151 -7.360 6.205 1.00 0.00 H new ATOM 0 HD2 ARG B 212 -10.731 -6.765 9.141 1.00 0.00 H new ATOM 0 HD3 ARG B 212 -11.742 -7.812 8.165 1.00 0.00 H new ATOM 0 HE ARG B 212 -9.061 -8.406 9.215 1.00 0.00 H new ATOM 0 HH11 ARG B 212 -11.601 -9.414 6.945 1.00 0.00 H new ATOM 0 HH12 ARG B 212 -10.896 -11.018 6.715 1.00 0.00 H new ATOM 0 HH21 ARG B 212 -8.154 -10.461 8.825 1.00 0.00 H new ATOM 0 HH22 ARG B 212 -8.985 -11.597 7.757 1.00 0.00 H new ATOM 1302 N ARG B 213 -8.177 -4.290 9.770 1.00 0.00 N ATOM 1303 CA ARG B 213 -8.041 -4.013 11.196 1.00 0.00 C ATOM 1304 C ARG B 213 -8.465 -2.573 11.479 1.00 0.00 C ATOM 1305 O ARG B 213 -9.238 -2.363 12.405 1.00 0.00 O ATOM 1306 CB ARG B 213 -6.614 -4.336 11.683 1.00 0.00 C ATOM 1307 CG ARG B 213 -6.486 -4.227 13.213 1.00 0.00 C ATOM 1308 CD ARG B 213 -5.082 -4.577 13.733 1.00 0.00 C ATOM 1309 NE ARG B 213 -4.771 -6.016 13.620 1.00 0.00 N ATOM 1310 CZ ARG B 213 -4.054 -6.606 12.655 1.00 0.00 C ATOM 1311 NH1 ARG B 213 -3.479 -5.905 11.695 1.00 0.00 N ATOM 1312 NH2 ARG B 213 -3.919 -7.924 12.664 1.00 0.00 N ATOM 0 H ARG B 213 -7.312 -4.586 9.318 1.00 0.00 H new ATOM 0 HA ARG B 213 -8.705 -4.663 11.766 1.00 0.00 H new ATOM 0 HB2 ARG B 213 -6.343 -5.344 11.368 1.00 0.00 H new ATOM 0 HB3 ARG B 213 -5.907 -3.654 11.211 1.00 0.00 H new ATOM 0 HG2 ARG B 213 -6.737 -3.212 13.520 1.00 0.00 H new ATOM 0 HG3 ARG B 213 -7.214 -4.890 13.680 1.00 0.00 H new ATOM 0 HD2 ARG B 213 -4.340 -4.005 13.176 1.00 0.00 H new ATOM 0 HD3 ARG B 213 -5.000 -4.273 14.777 1.00 0.00 H new ATOM 0 HE ARG B 213 -5.140 -6.623 14.352 1.00 0.00 H new ATOM 0 HH11 ARG B 213 -3.576 -4.890 11.677 1.00 0.00 H new ATOM 0 HH12 ARG B 213 -2.938 -6.379 10.972 1.00 0.00 H new ATOM 0 HH21 ARG B 213 -4.359 -8.477 13.400 1.00 0.00 H new ATOM 0 HH22 ARG B 213 -3.376 -8.386 11.935 1.00 0.00 H new ATOM 1326 N ARG B 214 -8.025 -1.591 10.681 1.00 0.00 N ATOM 1327 CA ARG B 214 -8.427 -0.190 10.847 1.00 0.00 C ATOM 1328 C ARG B 214 -9.950 -0.031 10.806 1.00 0.00 C ATOM 1329 O ARG B 214 -10.506 0.631 11.676 1.00 0.00 O ATOM 1330 CB ARG B 214 -7.722 0.709 9.810 1.00 0.00 C ATOM 1331 CG ARG B 214 -7.912 2.203 10.124 1.00 0.00 C ATOM 1332 CD ARG B 214 -7.113 3.132 9.196 1.00 0.00 C ATOM 1333 NE ARG B 214 -7.685 3.227 7.838 1.00 0.00 N ATOM 1334 CZ ARG B 214 -7.613 4.303 7.033 1.00 0.00 C ATOM 1335 NH1 ARG B 214 -6.909 5.371 7.393 1.00 0.00 N ATOM 1336 NH2 ARG B 214 -8.252 4.298 5.869 1.00 0.00 N ATOM 0 H ARG B 214 -7.382 -1.746 9.904 1.00 0.00 H new ATOM 0 HA ARG B 214 -8.106 0.137 11.836 1.00 0.00 H new ATOM 0 HB2 ARG B 214 -6.658 0.475 9.790 1.00 0.00 H new ATOM 0 HB3 ARG B 214 -8.115 0.494 8.816 1.00 0.00 H new ATOM 0 HG2 ARG B 214 -8.971 2.450 10.048 1.00 0.00 H new ATOM 0 HG3 ARG B 214 -7.614 2.390 11.156 1.00 0.00 H new ATOM 0 HD2 ARG B 214 -7.072 4.128 9.637 1.00 0.00 H new ATOM 0 HD3 ARG B 214 -6.087 2.771 9.127 1.00 0.00 H new ATOM 0 HE ARG B 214 -8.176 2.408 7.480 1.00 0.00 H new ATOM 0 HH11 ARG B 214 -6.417 5.380 8.286 1.00 0.00 H new ATOM 0 HH12 ARG B 214 -6.861 6.182 6.776 1.00 0.00 H new ATOM 0 HH21 ARG B 214 -8.794 3.481 5.588 1.00 0.00 H new ATOM 0 HH22 ARG B 214 -8.200 5.111 5.255 1.00 0.00 H new ATOM 1350 N ARG B 215 -10.629 -0.624 9.819 1.00 0.00 N ATOM 1351 CA ARG B 215 -12.071 -0.531 9.605 1.00 0.00 C ATOM 1352 C ARG B 215 -12.780 -1.013 10.868 1.00 0.00 C ATOM 1353 O ARG B 215 -13.648 -0.327 11.395 1.00 0.00 O ATOM 1354 CB ARG B 215 -12.409 -1.362 8.346 1.00 0.00 C ATOM 1355 CG ARG B 215 -13.754 -1.070 7.663 1.00 0.00 C ATOM 1356 CD ARG B 215 -13.869 -2.005 6.443 1.00 0.00 C ATOM 1357 NE ARG B 215 -15.031 -1.758 5.561 1.00 0.00 N ATOM 1358 CZ ARG B 215 -15.692 -2.698 4.857 1.00 0.00 C ATOM 1359 NH1 ARG B 215 -15.499 -4.000 5.079 1.00 0.00 N ATOM 1360 NH2 ARG B 215 -16.557 -2.345 3.909 1.00 0.00 N ATOM 0 H ARG B 215 -10.167 -1.205 9.120 1.00 0.00 H new ATOM 0 HA ARG B 215 -12.409 0.490 9.427 1.00 0.00 H new ATOM 0 HB2 ARG B 215 -11.616 -1.208 7.614 1.00 0.00 H new ATOM 0 HB3 ARG B 215 -12.389 -2.417 8.620 1.00 0.00 H new ATOM 0 HG2 ARG B 215 -14.579 -1.239 8.354 1.00 0.00 H new ATOM 0 HG3 ARG B 215 -13.807 -0.027 7.352 1.00 0.00 H new ATOM 0 HD2 ARG B 215 -12.959 -1.914 5.850 1.00 0.00 H new ATOM 0 HD3 ARG B 215 -13.917 -3.034 6.799 1.00 0.00 H new ATOM 0 HE ARG B 215 -15.359 -0.796 5.479 1.00 0.00 H new ATOM 0 HH11 ARG B 215 -14.839 -4.303 5.795 1.00 0.00 H new ATOM 0 HH12 ARG B 215 -16.012 -4.692 4.533 1.00 0.00 H new ATOM 0 HH21 ARG B 215 -16.723 -1.358 3.712 1.00 0.00 H new ATOM 0 HH22 ARG B 215 -17.054 -3.061 3.380 1.00 0.00 H new ATOM 1374 N ALA B 216 -12.368 -2.170 11.390 1.00 0.00 N ATOM 1375 CA ALA B 216 -12.935 -2.763 12.593 1.00 0.00 C ATOM 1376 C ALA B 216 -12.421 -2.161 13.904 1.00 0.00 C ATOM 1377 O ALA B 216 -12.867 -2.585 14.968 1.00 0.00 O ATOM 1378 CB ALA B 216 -12.661 -4.270 12.539 1.00 0.00 C ATOM 0 H ALA B 216 -11.619 -2.727 10.979 1.00 0.00 H new ATOM 0 HA ALA B 216 -14.003 -2.547 12.599 1.00 0.00 H new ATOM 0 HB1 ALA B 216 -13.074 -4.747 13.428 1.00 0.00 H new ATOM 0 HB2 ALA B 216 -13.129 -4.693 11.650 1.00 0.00 H new ATOM 0 HB3 ALA B 216 -11.586 -4.443 12.501 1.00 0.00 H new ATOM 1384 N ALA B 217 -11.511 -1.190 13.848 1.00 0.00 N ATOM 1385 CA ALA B 217 -11.040 -0.433 15.003 1.00 0.00 C ATOM 1386 C ALA B 217 -11.718 0.939 15.090 1.00 0.00 C ATOM 1387 O ALA B 217 -11.507 1.646 16.075 1.00 0.00 O ATOM 1388 CB ALA B 217 -9.514 -0.292 14.941 1.00 0.00 C ATOM 0 H ALA B 217 -11.070 -0.902 12.974 1.00 0.00 H new ATOM 0 HA ALA B 217 -11.308 -0.979 15.907 1.00 0.00 H new ATOM 0 HB1 ALA B 217 -9.165 0.274 15.805 1.00 0.00 H new ATOM 0 HB2 ALA B 217 -9.057 -1.281 14.947 1.00 0.00 H new ATOM 0 HB3 ALA B 217 -9.234 0.232 14.027 1.00 0.00 H new ATOM 1394 N ALA B 218 -12.496 1.325 14.072 1.00 0.00 N ATOM 1395 CA ALA B 218 -13.250 2.549 14.001 1.00 0.00 C ATOM 1396 C ALA B 218 -14.708 2.388 14.462 1.00 0.00 C ATOM 1397 O ALA B 218 -15.349 3.406 14.724 1.00 0.00 O ATOM 1398 CB ALA B 218 -13.147 3.113 12.578 1.00 0.00 C ATOM 0 H ALA B 218 -12.612 0.749 13.238 1.00 0.00 H new ATOM 0 HA ALA B 218 -12.817 3.262 14.703 1.00 0.00 H new ATOM 0 HB1 ALA B 218 -13.715 4.041 12.512 1.00 0.00 H new ATOM 0 HB2 ALA B 218 -12.102 3.310 12.339 1.00 0.00 H new ATOM 0 HB3 ALA B 218 -13.551 2.390 11.870 1.00 0.00 H new ATOM 1404 N ALA B 219 -15.219 1.148 14.525 1.00 0.00 N ATOM 1405 CA ALA B 219 -16.605 0.837 14.870 1.00 0.00 C ATOM 1406 C ALA B 219 -16.976 1.286 16.285 1.00 0.00 C ATOM 1407 O ALA B 219 -18.086 1.852 16.424 1.00 0.00 O ATOM 1408 CB ALA B 219 -16.841 -0.668 14.701 1.00 0.00 C ATOM 1409 OXT ALA B 219 -16.207 0.972 17.219 1.00 0.00 O ATOM 0 H ALA B 219 -14.661 0.317 14.331 1.00 0.00 H new ATOM 0 HA ALA B 219 -17.252 1.394 14.192 1.00 0.00 H new ATOM 0 HB1 ALA B 219 -17.874 -0.905 14.957 1.00 0.00 H new ATOM 0 HB2 ALA B 219 -16.649 -0.952 13.666 1.00 0.00 H new ATOM 0 HB3 ALA B 219 -16.168 -1.218 15.359 1.00 0.00 H new