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 -49:sc= 1.21 USER MOD Single : B 207 SER OG : rot 45:sc= 0.0849 USER MOD ----------------------------------------------------------------- ATOM 1105 N ARG B 201 -0.813 12.686 -1.756 1.00 0.00 N ATOM 1106 CA ARG B 201 0.312 11.735 -1.728 1.00 0.00 C ATOM 1107 C ARG B 201 -0.113 10.518 -0.893 1.00 0.00 C ATOM 1108 O ARG B 201 0.100 10.495 0.314 1.00 0.00 O ATOM 1109 CB ARG B 201 1.601 12.412 -1.198 1.00 0.00 C ATOM 1110 CG ARG B 201 2.223 13.398 -2.213 1.00 0.00 C ATOM 1111 CD ARG B 201 3.159 14.484 -1.632 1.00 0.00 C ATOM 1112 NE ARG B 201 4.313 13.955 -0.868 1.00 0.00 N ATOM 1113 CZ ARG B 201 5.575 14.436 -0.875 1.00 0.00 C ATOM 1114 NH1 ARG B 201 5.892 15.527 -1.580 1.00 0.00 N ATOM 1115 NH2 ARG B 201 6.513 13.822 -0.155 1.00 0.00 N ATOM 0 HA ARG B 201 0.554 11.398 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG B 201 1.372 12.945 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG B 201 2.333 11.644 -0.950 1.00 0.00 H new ATOM 0 HG2 ARG B 201 2.784 12.822 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG B 201 1.413 13.895 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG B 201 3.533 15.100 -2.450 1.00 0.00 H new ATOM 0 HD3 ARG B 201 2.577 15.137 -0.982 1.00 0.00 H new ATOM 0 HE ARG B 201 4.136 13.144 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG B 201 5.176 16.009 -2.123 1.00 0.00 H new ATOM 0 HH12 ARG B 201 6.850 15.877 -1.574 1.00 0.00 H new ATOM 0 HH21 ARG B 201 6.275 12.996 0.395 1.00 0.00 H new ATOM 0 HH22 ARG B 201 7.469 14.177 -0.154 1.00 0.00 H new ATOM 1131 N ARG B 202 -0.758 9.546 -1.550 1.00 0.00 N ATOM 1132 CA ARG B 202 -1.208 8.227 -1.099 1.00 0.00 C ATOM 1133 C ARG B 202 -1.455 8.076 0.400 1.00 0.00 C ATOM 1134 O ARG B 202 -0.860 7.228 1.060 1.00 0.00 O ATOM 1135 CB ARG B 202 -0.339 7.122 -1.728 1.00 0.00 C ATOM 1136 CG ARG B 202 1.181 7.149 -1.460 1.00 0.00 C ATOM 1137 CD ARG B 202 1.815 6.057 -2.335 1.00 0.00 C ATOM 1138 NE ARG B 202 3.285 5.955 -2.247 1.00 0.00 N ATOM 1139 CZ ARG B 202 3.986 5.020 -1.592 1.00 0.00 C ATOM 1140 NH1 ARG B 202 3.403 4.225 -0.708 1.00 0.00 N ATOM 1141 NH2 ARG B 202 5.273 4.843 -1.869 1.00 0.00 N ATOM 0 H ARG B 202 -1.006 9.685 -2.530 1.00 0.00 H new ATOM 0 HA ARG B 202 -2.223 8.107 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG B 202 -0.721 6.161 -1.383 1.00 0.00 H new ATOM 0 HB3 ARG B 202 -0.488 7.155 -2.807 1.00 0.00 H new ATOM 0 HG2 ARG B 202 1.597 8.127 -1.703 1.00 0.00 H new ATOM 0 HG3 ARG B 202 1.389 6.967 -0.406 1.00 0.00 H new ATOM 0 HD2 ARG B 202 1.383 5.095 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG B 202 1.541 6.242 -3.374 1.00 0.00 H new ATOM 0 HE ARG B 202 3.823 6.671 -2.736 1.00 0.00 H new ATOM 0 HH11 ARG B 202 2.405 4.319 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG B 202 3.951 3.518 -0.218 1.00 0.00 H new ATOM 0 HH21 ARG B 202 5.726 5.418 -2.579 1.00 0.00 H new ATOM 0 HH22 ARG B 202 5.809 4.132 -1.371 1.00 0.00 H new ATOM 1155 N GLY B 203 -2.435 8.826 0.902 1.00 0.00 N ATOM 1156 CA GLY B 203 -2.857 8.766 2.302 1.00 0.00 C ATOM 1157 C GLY B 203 -3.551 7.461 2.701 1.00 0.00 C ATOM 1158 O GLY B 203 -3.762 7.203 3.886 1.00 0.00 O ATOM 0 H GLY B 203 -2.963 9.498 0.345 1.00 0.00 H new ATOM 0 HA2 GLY B 203 -1.983 8.907 2.938 1.00 0.00 H new ATOM 0 HA3 GLY B 203 -3.533 9.598 2.500 1.00 0.00 H new ATOM 1162 N SER B 204 -3.883 6.594 1.744 1.00 0.00 N ATOM 1163 CA SER B 204 -4.378 5.246 1.963 1.00 0.00 C ATOM 1164 C SER B 204 -3.196 4.335 2.331 1.00 0.00 C ATOM 1165 O SER B 204 -2.913 3.354 1.635 1.00 0.00 O ATOM 1166 CB SER B 204 -5.146 4.798 0.714 1.00 0.00 C ATOM 1167 OG SER B 204 -5.496 3.431 0.806 1.00 0.00 O ATOM 0 H SER B 204 -3.809 6.828 0.754 1.00 0.00 H new ATOM 0 HA SER B 204 -5.078 5.197 2.797 1.00 0.00 H new ATOM 0 HB2 SER B 204 -6.046 5.402 0.598 1.00 0.00 H new ATOM 0 HB3 SER B 204 -4.535 4.963 -0.173 1.00 0.00 H new ATOM 0 HG SER B 204 -4.708 2.908 1.063 1.00 0.00 H new ATOM 1173 N ARG B 205 -2.541 4.648 3.450 1.00 0.00 N ATOM 1174 CA ARG B 205 -1.499 3.845 4.094 1.00 0.00 C ATOM 1175 C ARG B 205 -1.914 2.367 4.124 1.00 0.00 C ATOM 1176 O ARG B 205 -2.860 2.036 4.839 1.00 0.00 O ATOM 1177 CB ARG B 205 -1.232 4.346 5.524 1.00 0.00 C ATOM 1178 CG ARG B 205 -0.146 5.429 5.580 1.00 0.00 C ATOM 1179 CD ARG B 205 0.085 5.949 7.008 1.00 0.00 C ATOM 1180 NE ARG B 205 0.279 4.885 8.017 1.00 0.00 N ATOM 1181 CZ ARG B 205 1.342 4.094 8.183 1.00 0.00 C ATOM 1182 NH1 ARG B 205 2.419 4.250 7.421 1.00 0.00 N ATOM 1183 NH2 ARG B 205 1.313 3.148 9.123 1.00 0.00 N ATOM 0 H ARG B 205 -2.732 5.512 3.958 1.00 0.00 H new ATOM 0 HA ARG B 205 -0.581 3.946 3.515 1.00 0.00 H new ATOM 0 HB2 ARG B 205 -2.156 4.742 5.944 1.00 0.00 H new ATOM 0 HB3 ARG B 205 -0.933 3.505 6.149 1.00 0.00 H new ATOM 0 HG2 ARG B 205 0.787 5.025 5.187 1.00 0.00 H new ATOM 0 HG3 ARG B 205 -0.431 6.260 4.935 1.00 0.00 H new ATOM 0 HD2 ARG B 205 0.960 6.599 7.009 1.00 0.00 H new ATOM 0 HD3 ARG B 205 -0.767 6.562 7.302 1.00 0.00 H new ATOM 0 HE ARG B 205 -0.494 4.737 8.666 1.00 0.00 H new ATOM 0 HH11 ARG B 205 2.436 4.977 6.705 1.00 0.00 H new ATOM 0 HH12 ARG B 205 3.228 3.643 7.552 1.00 0.00 H new ATOM 0 HH21 ARG B 205 0.484 3.034 9.707 1.00 0.00 H new ATOM 0 HH22 ARG B 205 2.120 2.538 9.258 1.00 0.00 H new ATOM 1197 N PRO B 206 -1.233 1.467 3.394 1.00 0.00 N ATOM 1198 CA PRO B 206 -1.638 0.079 3.229 1.00 0.00 C ATOM 1199 C PRO B 206 -1.256 -0.806 4.433 1.00 0.00 C ATOM 1200 O PRO B 206 -1.621 -1.979 4.509 1.00 0.00 O ATOM 1201 CB PRO B 206 -0.915 -0.372 1.960 1.00 0.00 C ATOM 1202 CG PRO B 206 0.400 0.392 2.021 1.00 0.00 C ATOM 1203 CD PRO B 206 -0.056 1.735 2.593 1.00 0.00 C ATOM 0 HA PRO B 206 -2.722 -0.013 3.160 1.00 0.00 H new ATOM 0 HB2 PRO B 206 -0.755 -1.450 1.949 1.00 0.00 H new ATOM 0 HB3 PRO B 206 -1.483 -0.125 1.063 1.00 0.00 H new ATOM 0 HG2 PRO B 206 1.131 -0.100 2.662 1.00 0.00 H new ATOM 0 HG3 PRO B 206 0.859 0.499 1.038 1.00 0.00 H new ATOM 0 HD2 PRO B 206 0.730 2.185 3.199 1.00 0.00 H new ATOM 0 HD3 PRO B 206 -0.284 2.439 1.793 1.00 0.00 H new ATOM 1211 N SER B 207 -0.470 -0.279 5.362 1.00 0.00 N ATOM 1212 CA SER B 207 0.808 -0.876 5.715 1.00 0.00 C ATOM 1213 C SER B 207 0.693 -1.773 6.944 1.00 0.00 C ATOM 1214 O SER B 207 0.513 -1.270 8.053 1.00 0.00 O ATOM 1215 CB SER B 207 1.801 0.275 5.918 1.00 0.00 C ATOM 1216 OG SER B 207 1.186 1.328 6.639 1.00 0.00 O ATOM 0 H SER B 207 -0.698 0.566 5.887 1.00 0.00 H new ATOM 0 HA SER B 207 1.159 -1.532 4.919 1.00 0.00 H new ATOM 0 HB2 SER B 207 2.678 -0.082 6.458 1.00 0.00 H new ATOM 0 HB3 SER B 207 2.149 0.640 4.952 1.00 0.00 H new ATOM 0 HG SER B 207 0.687 0.958 7.397 1.00 0.00 H new ATOM 1222 N GLY B 208 0.787 -3.088 6.747 1.00 0.00 N ATOM 1223 CA GLY B 208 0.693 -4.097 7.792 1.00 0.00 C ATOM 1224 C GLY B 208 -0.691 -4.741 7.818 1.00 0.00 C ATOM 1225 O GLY B 208 -1.236 -4.960 8.902 1.00 0.00 O ATOM 0 H GLY B 208 0.936 -3.490 5.821 1.00 0.00 H new ATOM 0 HA2 GLY B 208 1.450 -4.864 7.629 1.00 0.00 H new ATOM 0 HA3 GLY B 208 0.903 -3.642 8.760 1.00 0.00 H new ATOM 1229 N ALA B 209 -1.285 -4.987 6.639 1.00 0.00 N ATOM 1230 CA ALA B 209 -2.698 -5.341 6.447 1.00 0.00 C ATOM 1231 C ALA B 209 -3.651 -4.255 6.992 1.00 0.00 C ATOM 1232 O ALA B 209 -4.850 -4.484 7.129 1.00 0.00 O ATOM 1233 CB ALA B 209 -3.003 -6.752 6.998 1.00 0.00 C ATOM 0 H ALA B 209 -0.772 -4.942 5.759 1.00 0.00 H new ATOM 0 HA ALA B 209 -2.886 -5.381 5.374 1.00 0.00 H new ATOM 0 HB1 ALA B 209 -4.056 -6.984 6.841 1.00 0.00 H new ATOM 0 HB2 ALA B 209 -2.388 -7.486 6.478 1.00 0.00 H new ATOM 0 HB3 ALA B 209 -2.780 -6.782 8.065 1.00 0.00 H new ATOM 1239 N GLU B 210 -3.138 -3.067 7.322 1.00 0.00 N ATOM 1240 CA GLU B 210 -3.844 -2.068 8.118 1.00 0.00 C ATOM 1241 C GLU B 210 -5.031 -1.469 7.364 1.00 0.00 C ATOM 1242 O GLU B 210 -6.083 -1.182 7.932 1.00 0.00 O ATOM 1243 CB GLU B 210 -2.847 -0.964 8.505 1.00 0.00 C ATOM 1244 CG GLU B 210 -3.277 -0.169 9.742 1.00 0.00 C ATOM 1245 CD GLU B 210 -2.968 -0.931 11.034 1.00 0.00 C ATOM 1246 OE1 GLU B 210 -3.511 -2.036 11.244 1.00 0.00 O ATOM 1247 OE2 GLU B 210 -2.178 -0.413 11.864 1.00 0.00 O ATOM 0 H GLU B 210 -2.205 -2.770 7.037 1.00 0.00 H new ATOM 0 HA GLU B 210 -4.247 -2.550 9.009 1.00 0.00 H new ATOM 0 HB2 GLU B 210 -1.871 -1.413 8.691 1.00 0.00 H new ATOM 0 HB3 GLU B 210 -2.728 -0.280 7.665 1.00 0.00 H new ATOM 0 HG2 GLU B 210 -2.764 0.793 9.754 1.00 0.00 H new ATOM 0 HG3 GLU B 210 -4.345 0.040 9.688 1.00 0.00 H new ATOM 1254 N ARG B 211 -4.884 -1.288 6.056 1.00 0.00 N ATOM 1255 CA ARG B 211 -5.933 -0.697 5.235 1.00 0.00 C ATOM 1256 C ARG B 211 -7.009 -1.734 4.923 1.00 0.00 C ATOM 1257 O ARG B 211 -8.192 -1.409 4.905 1.00 0.00 O ATOM 1258 CB ARG B 211 -5.270 -0.111 3.995 1.00 0.00 C ATOM 1259 CG ARG B 211 -5.840 1.226 3.527 1.00 0.00 C ATOM 1260 CD ARG B 211 -7.328 1.173 3.182 1.00 0.00 C ATOM 1261 NE ARG B 211 -7.634 2.207 2.200 1.00 0.00 N ATOM 1262 CZ ARG B 211 -8.787 2.416 1.579 1.00 0.00 C ATOM 1263 NH1 ARG B 211 -9.903 1.809 1.979 1.00 0.00 N ATOM 1264 NH2 ARG B 211 -8.783 3.235 0.538 1.00 0.00 N ATOM 0 H ARG B 211 -4.043 -1.544 5.539 1.00 0.00 H new ATOM 0 HA ARG B 211 -6.450 0.107 5.758 1.00 0.00 H new ATOM 0 HB2 ARG B 211 -4.206 0.016 4.196 1.00 0.00 H new ATOM 0 HB3 ARG B 211 -5.357 -0.831 3.181 1.00 0.00 H new ATOM 0 HG2 ARG B 211 -5.683 1.971 4.307 1.00 0.00 H new ATOM 0 HG3 ARG B 211 -5.285 1.561 2.651 1.00 0.00 H new ATOM 0 HD2 ARG B 211 -7.586 0.191 2.785 1.00 0.00 H new ATOM 0 HD3 ARG B 211 -7.927 1.321 4.081 1.00 0.00 H new ATOM 0 HE ARG B 211 -6.873 2.843 1.963 1.00 0.00 H new ATOM 0 HH11 ARG B 211 -9.880 1.172 2.775 1.00 0.00 H new ATOM 0 HH12 ARG B 211 -10.781 1.982 1.489 1.00 0.00 H new ATOM 0 HH21 ARG B 211 -7.914 3.678 0.241 1.00 0.00 H new ATOM 0 HH22 ARG B 211 -9.649 3.422 0.033 1.00 0.00 H new ATOM 1278 N ARG B 212 -6.623 -3.004 4.807 1.00 0.00 N ATOM 1279 CA ARG B 212 -7.521 -4.145 4.878 1.00 0.00 C ATOM 1280 C ARG B 212 -8.297 -4.164 6.196 1.00 0.00 C ATOM 1281 O ARG B 212 -9.497 -4.441 6.204 1.00 0.00 O ATOM 1282 CB ARG B 212 -6.643 -5.399 4.692 1.00 0.00 C ATOM 1283 CG ARG B 212 -7.140 -6.345 3.610 1.00 0.00 C ATOM 1284 CD ARG B 212 -8.207 -7.302 4.148 1.00 0.00 C ATOM 1285 NE ARG B 212 -8.398 -8.434 3.235 1.00 0.00 N ATOM 1286 CZ ARG B 212 -9.065 -8.417 2.081 1.00 0.00 C ATOM 1287 NH1 ARG B 212 -9.676 -7.327 1.648 1.00 0.00 N ATOM 1288 NH2 ARG B 212 -9.096 -9.509 1.337 1.00 0.00 N ATOM 0 H ARG B 212 -5.650 -3.270 4.657 1.00 0.00 H new ATOM 0 HA ARG B 212 -8.284 -4.099 4.101 1.00 0.00 H new ATOM 0 HB2 ARG B 212 -5.627 -5.087 4.449 1.00 0.00 H new ATOM 0 HB3 ARG B 212 -6.593 -5.939 5.638 1.00 0.00 H new ATOM 0 HG2 ARG B 212 -7.552 -5.768 2.782 1.00 0.00 H new ATOM 0 HG3 ARG B 212 -6.302 -6.918 3.214 1.00 0.00 H new ATOM 0 HD2 ARG B 212 -7.912 -7.668 5.131 1.00 0.00 H new ATOM 0 HD3 ARG B 212 -9.149 -6.769 4.276 1.00 0.00 H new ATOM 0 HE ARG B 212 -7.979 -9.322 3.510 1.00 0.00 H new ATOM 0 HH11 ARG B 212 -9.644 -6.471 2.201 1.00 0.00 H new ATOM 0 HH12 ARG B 212 -10.179 -7.343 0.761 1.00 0.00 H new ATOM 0 HH21 ARG B 212 -8.613 -10.352 1.648 1.00 0.00 H new ATOM 0 HH22 ARG B 212 -9.603 -9.509 0.452 1.00 0.00 H new ATOM 1302 N ARG B 213 -7.648 -3.843 7.319 1.00 0.00 N ATOM 1303 CA ARG B 213 -8.318 -3.674 8.606 1.00 0.00 C ATOM 1304 C ARG B 213 -9.244 -2.452 8.610 1.00 0.00 C ATOM 1305 O ARG B 213 -10.189 -2.452 9.393 1.00 0.00 O ATOM 1306 CB ARG B 213 -7.257 -3.672 9.728 1.00 0.00 C ATOM 1307 CG ARG B 213 -7.779 -3.455 11.157 1.00 0.00 C ATOM 1308 CD ARG B 213 -7.831 -1.978 11.583 1.00 0.00 C ATOM 1309 NE ARG B 213 -8.316 -1.860 12.966 1.00 0.00 N ATOM 1310 CZ ARG B 213 -8.791 -0.767 13.572 1.00 0.00 C ATOM 1311 NH1 ARG B 213 -8.812 0.414 12.958 1.00 0.00 N ATOM 1312 NH2 ARG B 213 -9.250 -0.876 14.812 1.00 0.00 N ATOM 0 H ARG B 213 -6.640 -3.693 7.358 1.00 0.00 H new ATOM 0 HA ARG B 213 -8.986 -4.515 8.793 1.00 0.00 H new ATOM 0 HB2 ARG B 213 -6.726 -4.623 9.698 1.00 0.00 H new ATOM 0 HB3 ARG B 213 -6.528 -2.893 9.508 1.00 0.00 H new ATOM 0 HG2 ARG B 213 -8.779 -3.882 11.237 1.00 0.00 H new ATOM 0 HG3 ARG B 213 -7.143 -4.002 11.853 1.00 0.00 H new ATOM 0 HD2 ARG B 213 -6.839 -1.534 11.500 1.00 0.00 H new ATOM 0 HD3 ARG B 213 -8.486 -1.422 10.912 1.00 0.00 H new ATOM 0 HE ARG B 213 -8.287 -2.711 13.528 1.00 0.00 H new ATOM 0 HH11 ARG B 213 -8.461 0.499 12.004 1.00 0.00 H new ATOM 0 HH12 ARG B 213 -9.179 1.234 13.441 1.00 0.00 H new ATOM 0 HH21 ARG B 213 -9.236 -1.780 15.283 1.00 0.00 H new ATOM 0 HH22 ARG B 213 -9.617 -0.055 15.294 1.00 0.00 H new ATOM 1326 N ARG B 214 -9.065 -1.442 7.745 1.00 0.00 N ATOM 1327 CA ARG B 214 -9.926 -0.248 7.710 1.00 0.00 C ATOM 1328 C ARG B 214 -11.401 -0.593 7.481 1.00 0.00 C ATOM 1329 O ARG B 214 -12.243 0.199 7.889 1.00 0.00 O ATOM 1330 CB ARG B 214 -9.405 0.789 6.688 1.00 0.00 C ATOM 1331 CG ARG B 214 -9.979 2.209 6.873 1.00 0.00 C ATOM 1332 CD ARG B 214 -9.393 3.243 5.892 1.00 0.00 C ATOM 1333 NE ARG B 214 -7.973 3.557 6.160 1.00 0.00 N ATOM 1334 CZ ARG B 214 -7.366 4.748 6.007 1.00 0.00 C ATOM 1335 NH1 ARG B 214 -7.990 5.809 5.513 1.00 0.00 N ATOM 1336 NH2 ARG B 214 -6.102 4.892 6.387 1.00 0.00 N ATOM 0 H ARG B 214 -8.319 -1.429 7.049 1.00 0.00 H new ATOM 0 HA ARG B 214 -9.874 0.211 8.697 1.00 0.00 H new ATOM 0 HB2 ARG B 214 -8.318 0.837 6.759 1.00 0.00 H new ATOM 0 HB3 ARG B 214 -9.643 0.442 5.683 1.00 0.00 H new ATOM 0 HG2 ARG B 214 -11.061 2.174 6.747 1.00 0.00 H new ATOM 0 HG3 ARG B 214 -9.787 2.539 7.894 1.00 0.00 H new ATOM 0 HD2 ARG B 214 -9.489 2.865 4.874 1.00 0.00 H new ATOM 0 HD3 ARG B 214 -9.979 4.161 5.948 1.00 0.00 H new ATOM 0 HE ARG B 214 -7.392 2.789 6.497 1.00 0.00 H new ATOM 0 HH11 ARG B 214 -8.968 5.740 5.232 1.00 0.00 H new ATOM 0 HH12 ARG B 214 -7.492 6.693 5.414 1.00 0.00 H new ATOM 0 HH21 ARG B 214 -5.598 4.103 6.792 1.00 0.00 H new ATOM 0 HH22 ARG B 214 -5.635 5.792 6.274 1.00 0.00 H new ATOM 1350 N ARG B 215 -11.762 -1.771 6.944 1.00 0.00 N ATOM 1351 CA ARG B 215 -13.158 -2.217 6.936 1.00 0.00 C ATOM 1352 C ARG B 215 -13.772 -2.109 8.327 1.00 0.00 C ATOM 1353 O ARG B 215 -14.871 -1.587 8.486 1.00 0.00 O ATOM 1354 CB ARG B 215 -13.230 -3.671 6.456 1.00 0.00 C ATOM 1355 CG ARG B 215 -14.669 -4.076 6.097 1.00 0.00 C ATOM 1356 CD ARG B 215 -14.896 -5.589 6.230 1.00 0.00 C ATOM 1357 NE ARG B 215 -13.917 -6.342 5.437 1.00 0.00 N ATOM 1358 CZ ARG B 215 -13.967 -6.561 4.122 1.00 0.00 C ATOM 1359 NH1 ARG B 215 -15.065 -6.285 3.422 1.00 0.00 N ATOM 1360 NH2 ARG B 215 -12.891 -7.039 3.508 1.00 0.00 N ATOM 0 H ARG B 215 -11.108 -2.425 6.513 1.00 0.00 H new ATOM 0 HA ARG B 215 -13.721 -1.575 6.259 1.00 0.00 H new ATOM 0 HB2 ARG B 215 -12.587 -3.800 5.585 1.00 0.00 H new ATOM 0 HB3 ARG B 215 -12.849 -4.332 7.235 1.00 0.00 H new ATOM 0 HG2 ARG B 215 -15.366 -3.547 6.747 1.00 0.00 H new ATOM 0 HG3 ARG B 215 -14.888 -3.766 5.075 1.00 0.00 H new ATOM 0 HD2 ARG B 215 -14.821 -5.880 7.278 1.00 0.00 H new ATOM 0 HD3 ARG B 215 -15.905 -5.839 5.901 1.00 0.00 H new ATOM 0 HE ARG B 215 -13.122 -6.736 5.940 1.00 0.00 H new ATOM 0 HH11 ARG B 215 -15.885 -5.900 3.890 1.00 0.00 H new ATOM 0 HH12 ARG B 215 -15.086 -6.459 2.417 1.00 0.00 H new ATOM 0 HH21 ARG B 215 -12.043 -7.233 4.041 1.00 0.00 H new ATOM 0 HH22 ARG B 215 -12.912 -7.212 2.503 1.00 0.00 H new ATOM 1374 N ALA B 216 -13.043 -2.588 9.332 1.00 0.00 N ATOM 1375 CA ALA B 216 -13.467 -2.644 10.720 1.00 0.00 C ATOM 1376 C ALA B 216 -13.645 -1.266 11.367 1.00 0.00 C ATOM 1377 O ALA B 216 -14.034 -1.189 12.534 1.00 0.00 O ATOM 1378 CB ALA B 216 -12.466 -3.503 11.501 1.00 0.00 C ATOM 0 H ALA B 216 -12.104 -2.961 9.191 1.00 0.00 H new ATOM 0 HA ALA B 216 -14.459 -3.095 10.749 1.00 0.00 H new ATOM 0 HB1 ALA B 216 -12.770 -3.556 12.547 1.00 0.00 H new ATOM 0 HB2 ALA B 216 -12.442 -4.508 11.079 1.00 0.00 H new ATOM 0 HB3 ALA B 216 -11.474 -3.057 11.433 1.00 0.00 H new ATOM 1384 N ALA B 217 -13.399 -0.177 10.644 1.00 0.00 N ATOM 1385 CA ALA B 217 -13.781 1.158 11.066 1.00 0.00 C ATOM 1386 C ALA B 217 -15.291 1.375 10.947 1.00 0.00 C ATOM 1387 O ALA B 217 -15.872 2.049 11.798 1.00 0.00 O ATOM 1388 CB ALA B 217 -13.054 2.179 10.200 1.00 0.00 C ATOM 0 H ALA B 217 -12.924 -0.202 9.741 1.00 0.00 H new ATOM 0 HA ALA B 217 -13.505 1.279 12.114 1.00 0.00 H new ATOM 0 HB1 ALA B 217 -13.335 3.185 10.510 1.00 0.00 H new ATOM 0 HB2 ALA B 217 -11.977 2.052 10.314 1.00 0.00 H new ATOM 0 HB3 ALA B 217 -13.328 2.031 9.155 1.00 0.00 H new ATOM 1394 N ALA B 218 -15.930 0.812 9.916 1.00 0.00 N ATOM 1395 CA ALA B 218 -17.319 1.020 9.587 1.00 0.00 C ATOM 1396 C ALA B 218 -17.914 -0.249 8.966 1.00 0.00 C ATOM 1397 O ALA B 218 -18.504 -0.200 7.881 1.00 0.00 O ATOM 1398 CB ALA B 218 -17.457 2.261 8.692 1.00 0.00 C ATOM 0 H ALA B 218 -15.463 0.176 9.270 1.00 0.00 H new ATOM 0 HA ALA B 218 -17.896 1.215 10.491 1.00 0.00 H new ATOM 0 HB1 ALA B 218 -18.507 2.416 8.445 1.00 0.00 H new ATOM 0 HB2 ALA B 218 -17.076 3.135 9.220 1.00 0.00 H new ATOM 0 HB3 ALA B 218 -16.886 2.114 7.775 1.00 0.00 H new ATOM 1404 N ALA B 219 -17.714 -1.389 9.625 1.00 0.00 N ATOM 1405 CA ALA B 219 -18.380 -2.642 9.308 1.00 0.00 C ATOM 1406 C ALA B 219 -19.725 -2.696 10.026 1.00 0.00 C ATOM 1407 O ALA B 219 -20.406 -3.736 9.906 1.00 0.00 O ATOM 1408 CB ALA B 219 -17.479 -3.809 9.736 1.00 0.00 C ATOM 1409 OXT ALA B 219 -20.058 -1.791 10.827 1.00 0.00 O ATOM 0 H ALA B 219 -17.069 -1.464 10.411 1.00 0.00 H new ATOM 0 HA ALA B 219 -18.561 -2.715 8.236 1.00 0.00 H new ATOM 0 HB1 ALA B 219 -17.971 -4.753 9.502 1.00 0.00 H new ATOM 0 HB2 ALA B 219 -16.531 -3.752 9.202 1.00 0.00 H new ATOM 0 HB3 ALA B 219 -17.295 -3.752 10.809 1.00 0.00 H new