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 110:sc= 0.233 USER MOD Single : B 207 SER OG : rot 170:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 1105 N ARG B 201 2.820 14.730 3.972 1.00 0.00 N ATOM 1106 CA ARG B 201 1.926 14.454 2.829 1.00 0.00 C ATOM 1107 C ARG B 201 1.665 12.942 2.588 1.00 0.00 C ATOM 1108 O ARG B 201 1.291 12.572 1.475 1.00 0.00 O ATOM 1109 CB ARG B 201 2.429 15.160 1.547 1.00 0.00 C ATOM 1110 CG ARG B 201 1.255 15.594 0.652 1.00 0.00 C ATOM 1111 CD ARG B 201 1.692 16.445 -0.546 1.00 0.00 C ATOM 1112 NE ARG B 201 2.487 15.647 -1.491 1.00 0.00 N ATOM 1113 CZ ARG B 201 2.068 15.114 -2.650 1.00 0.00 C ATOM 1114 NH1 ARG B 201 0.902 15.465 -3.197 1.00 0.00 N ATOM 1115 NH2 ARG B 201 2.827 14.196 -3.246 1.00 0.00 N ATOM 0 HA ARG B 201 0.956 14.874 3.096 1.00 0.00 H new ATOM 0 HB2 ARG B 201 3.024 16.032 1.819 1.00 0.00 H new ATOM 0 HB3 ARG B 201 3.084 14.488 0.992 1.00 0.00 H new ATOM 0 HG2 ARG B 201 0.736 14.707 0.289 1.00 0.00 H new ATOM 0 HG3 ARG B 201 0.540 16.160 1.250 1.00 0.00 H new ATOM 0 HD2 ARG B 201 0.814 16.847 -1.052 1.00 0.00 H new ATOM 0 HD3 ARG B 201 2.278 17.296 -0.199 1.00 0.00 H new ATOM 0 HE ARG B 201 3.461 15.480 -1.239 1.00 0.00 H new ATOM 0 HH11 ARG B 201 0.308 16.152 -2.734 1.00 0.00 H new ATOM 0 HH12 ARG B 201 0.605 15.046 -4.078 1.00 0.00 H new ATOM 0 HH21 ARG B 201 3.709 13.910 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG B 201 2.526 13.779 -4.127 1.00 0.00 H new ATOM 1131 N ARG B 202 1.836 12.045 3.573 1.00 0.00 N ATOM 1132 CA ARG B 202 1.447 10.633 3.451 1.00 0.00 C ATOM 1133 C ARG B 202 1.206 10.041 4.845 1.00 0.00 C ATOM 1134 O ARG B 202 2.026 9.265 5.327 1.00 0.00 O ATOM 1135 CB ARG B 202 2.495 9.816 2.653 1.00 0.00 C ATOM 1136 CG ARG B 202 1.909 8.443 2.272 1.00 0.00 C ATOM 1137 CD ARG B 202 2.891 7.474 1.605 1.00 0.00 C ATOM 1138 NE ARG B 202 3.998 7.052 2.480 1.00 0.00 N ATOM 1139 CZ ARG B 202 4.022 5.980 3.283 1.00 0.00 C ATOM 1140 NH1 ARG B 202 2.925 5.285 3.571 1.00 0.00 N ATOM 1141 NH2 ARG B 202 5.162 5.564 3.812 1.00 0.00 N ATOM 0 H ARG B 202 2.248 12.280 4.476 1.00 0.00 H new ATOM 0 HA ARG B 202 0.517 10.576 2.885 1.00 0.00 H new ATOM 0 HB2 ARG B 202 2.785 10.360 1.754 1.00 0.00 H new ATOM 0 HB3 ARG B 202 3.397 9.683 3.250 1.00 0.00 H new ATOM 0 HG2 ARG B 202 1.515 7.972 3.173 1.00 0.00 H new ATOM 0 HG3 ARG B 202 1.066 8.600 1.599 1.00 0.00 H new ATOM 0 HD2 ARG B 202 2.346 6.590 1.273 1.00 0.00 H new ATOM 0 HD3 ARG B 202 3.305 7.947 0.714 1.00 0.00 H new ATOM 0 HE ARG B 202 4.834 7.637 2.474 1.00 0.00 H new ATOM 0 HH11 ARG B 202 2.027 5.563 3.176 1.00 0.00 H new ATOM 0 HH12 ARG B 202 2.982 4.474 4.187 1.00 0.00 H new ATOM 0 HH21 ARG B 202 6.030 6.061 3.609 1.00 0.00 H new ATOM 0 HH22 ARG B 202 5.173 4.747 4.423 1.00 0.00 H new ATOM 1155 N GLY B 203 0.083 10.379 5.478 1.00 0.00 N ATOM 1156 CA GLY B 203 -0.227 9.912 6.827 1.00 0.00 C ATOM 1157 C GLY B 203 -0.246 8.386 6.934 1.00 0.00 C ATOM 1158 O GLY B 203 0.488 7.810 7.739 1.00 0.00 O ATOM 0 H GLY B 203 -0.633 10.981 5.072 1.00 0.00 H new ATOM 0 HA2 GLY B 203 0.510 10.312 7.524 1.00 0.00 H new ATOM 0 HA3 GLY B 203 -1.198 10.305 7.129 1.00 0.00 H new ATOM 1162 N SER B 204 -1.077 7.711 6.128 1.00 0.00 N ATOM 1163 CA SER B 204 -1.250 6.262 6.216 1.00 0.00 C ATOM 1164 C SER B 204 -0.893 5.588 4.887 1.00 0.00 C ATOM 1165 O SER B 204 0.294 5.354 4.665 1.00 0.00 O ATOM 1166 CB SER B 204 -2.615 5.923 6.833 1.00 0.00 C ATOM 1167 OG SER B 204 -2.632 4.605 7.361 1.00 0.00 O ATOM 0 H SER B 204 -1.642 8.154 5.403 1.00 0.00 H new ATOM 0 HA SER B 204 -0.537 5.823 6.914 1.00 0.00 H new ATOM 0 HB2 SER B 204 -2.846 6.636 7.624 1.00 0.00 H new ATOM 0 HB3 SER B 204 -3.393 6.024 6.076 1.00 0.00 H new ATOM 0 HG SER B 204 -2.663 4.645 8.340 1.00 0.00 H new ATOM 1173 N ARG B 205 -1.857 5.294 4.000 1.00 0.00 N ATOM 1174 CA ARG B 205 -1.777 4.177 3.041 1.00 0.00 C ATOM 1175 C ARG B 205 -1.422 2.885 3.792 1.00 0.00 C ATOM 1176 O ARG B 205 -0.295 2.403 3.672 1.00 0.00 O ATOM 1177 CB ARG B 205 -0.823 4.443 1.858 1.00 0.00 C ATOM 1178 CG ARG B 205 -1.351 5.449 0.839 1.00 0.00 C ATOM 1179 CD ARG B 205 -1.337 6.887 1.340 1.00 0.00 C ATOM 1180 NE ARG B 205 -1.461 7.817 0.216 1.00 0.00 N ATOM 1181 CZ ARG B 205 -2.604 8.202 -0.361 1.00 0.00 C ATOM 1182 NH1 ARG B 205 -3.779 7.694 0.003 1.00 0.00 N ATOM 1183 NH2 ARG B 205 -2.569 9.092 -1.335 1.00 0.00 N ATOM 0 H ARG B 205 -2.722 5.829 3.927 1.00 0.00 H new ATOM 0 HA ARG B 205 -2.759 4.067 2.581 1.00 0.00 H new ATOM 0 HB2 ARG B 205 0.129 4.804 2.248 1.00 0.00 H new ATOM 0 HB3 ARG B 205 -0.622 3.500 1.350 1.00 0.00 H new ATOM 0 HG2 ARG B 205 -0.751 5.383 -0.069 1.00 0.00 H new ATOM 0 HG3 ARG B 205 -2.371 5.177 0.567 1.00 0.00 H new ATOM 0 HD2 ARG B 205 -2.156 7.043 2.042 1.00 0.00 H new ATOM 0 HD3 ARG B 205 -0.411 7.082 1.882 1.00 0.00 H new ATOM 0 HE ARG B 205 -0.597 8.207 -0.161 1.00 0.00 H new ATOM 0 HH11 ARG B 205 -3.824 6.991 0.741 1.00 0.00 H new ATOM 0 HH12 ARG B 205 -4.634 8.008 -0.456 1.00 0.00 H new ATOM 0 HH21 ARG B 205 -1.676 9.479 -1.640 1.00 0.00 H new ATOM 0 HH22 ARG B 205 -3.435 9.393 -1.782 1.00 0.00 H new ATOM 1197 N PRO B 206 -2.352 2.351 4.602 1.00 0.00 N ATOM 1198 CA PRO B 206 -2.095 1.196 5.453 1.00 0.00 C ATOM 1199 C PRO B 206 -1.974 -0.098 4.632 1.00 0.00 C ATOM 1200 O PRO B 206 -2.118 -0.094 3.407 1.00 0.00 O ATOM 1201 CB PRO B 206 -3.266 1.168 6.445 1.00 0.00 C ATOM 1202 CG PRO B 206 -4.413 1.754 5.627 1.00 0.00 C ATOM 1203 CD PRO B 206 -3.735 2.789 4.738 1.00 0.00 C ATOM 0 HA PRO B 206 -1.141 1.271 5.976 1.00 0.00 H new ATOM 0 HB2 PRO B 206 -3.486 0.155 6.783 1.00 0.00 H new ATOM 0 HB3 PRO B 206 -3.058 1.763 7.334 1.00 0.00 H new ATOM 0 HG2 PRO B 206 -4.916 0.988 5.037 1.00 0.00 H new ATOM 0 HG3 PRO B 206 -5.168 2.210 6.267 1.00 0.00 H new ATOM 0 HD2 PRO B 206 -4.223 2.849 3.765 1.00 0.00 H new ATOM 0 HD3 PRO B 206 -3.789 3.782 5.184 1.00 0.00 H new ATOM 1211 N SER B 207 -1.751 -1.209 5.338 1.00 0.00 N ATOM 1212 CA SER B 207 -1.720 -2.570 4.821 1.00 0.00 C ATOM 1213 C SER B 207 -3.007 -2.936 4.075 1.00 0.00 C ATOM 1214 O SER B 207 -4.025 -2.260 4.217 1.00 0.00 O ATOM 1215 CB SER B 207 -1.562 -3.463 6.054 1.00 0.00 C ATOM 1216 OG SER B 207 -1.532 -4.848 5.793 1.00 0.00 O ATOM 0 H SER B 207 -1.578 -1.176 6.343 1.00 0.00 H new ATOM 0 HA SER B 207 -0.910 -2.690 4.101 1.00 0.00 H new ATOM 0 HB2 SER B 207 -0.641 -3.186 6.567 1.00 0.00 H new ATOM 0 HB3 SER B 207 -2.384 -3.257 6.740 1.00 0.00 H new ATOM 0 HG SER B 207 -1.269 -5.328 6.606 1.00 0.00 H new ATOM 1222 N GLY B 208 -3.022 -4.080 3.388 1.00 0.00 N ATOM 1223 CA GLY B 208 -4.258 -4.772 3.054 1.00 0.00 C ATOM 1224 C GLY B 208 -4.883 -5.311 4.337 1.00 0.00 C ATOM 1225 O GLY B 208 -5.798 -4.703 4.900 1.00 0.00 O ATOM 0 H GLY B 208 -2.180 -4.547 3.051 1.00 0.00 H new ATOM 0 HA2 GLY B 208 -4.948 -4.092 2.555 1.00 0.00 H new ATOM 0 HA3 GLY B 208 -4.058 -5.588 2.360 1.00 0.00 H new ATOM 1229 N ALA B 209 -4.354 -6.433 4.832 1.00 0.00 N ATOM 1230 CA ALA B 209 -4.927 -7.143 5.965 1.00 0.00 C ATOM 1231 C ALA B 209 -5.032 -6.263 7.225 1.00 0.00 C ATOM 1232 O ALA B 209 -6.007 -6.393 7.967 1.00 0.00 O ATOM 1233 CB ALA B 209 -4.133 -8.436 6.205 1.00 0.00 C ATOM 0 H ALA B 209 -3.514 -6.871 4.453 1.00 0.00 H new ATOM 0 HA ALA B 209 -5.957 -7.409 5.726 1.00 0.00 H new ATOM 0 HB1 ALA B 209 -4.558 -8.972 7.053 1.00 0.00 H new ATOM 0 HB2 ALA B 209 -4.184 -9.065 5.316 1.00 0.00 H new ATOM 0 HB3 ALA B 209 -3.092 -8.190 6.416 1.00 0.00 H new ATOM 1239 N GLU B 210 -4.090 -5.342 7.486 1.00 0.00 N ATOM 1240 CA GLU B 210 -4.213 -4.474 8.664 1.00 0.00 C ATOM 1241 C GLU B 210 -5.208 -3.322 8.456 1.00 0.00 C ATOM 1242 O GLU B 210 -5.696 -2.764 9.441 1.00 0.00 O ATOM 1243 CB GLU B 210 -2.865 -3.888 9.107 1.00 0.00 C ATOM 1244 CG GLU B 210 -2.797 -3.706 10.628 1.00 0.00 C ATOM 1245 CD GLU B 210 -1.703 -2.706 10.984 1.00 0.00 C ATOM 1246 OE1 GLU B 210 -0.514 -3.001 10.735 1.00 0.00 O ATOM 1247 OE2 GLU B 210 -2.037 -1.598 11.469 1.00 0.00 O ATOM 0 H GLU B 210 -3.260 -5.183 6.916 1.00 0.00 H new ATOM 0 HA GLU B 210 -4.593 -5.128 9.449 1.00 0.00 H new ATOM 0 HB2 GLU B 210 -2.058 -4.546 8.783 1.00 0.00 H new ATOM 0 HB3 GLU B 210 -2.708 -2.926 8.618 1.00 0.00 H new ATOM 0 HG2 GLU B 210 -3.758 -3.355 11.004 1.00 0.00 H new ATOM 0 HG3 GLU B 210 -2.597 -4.664 11.109 1.00 0.00 H new ATOM 1254 N ARG B 211 -5.557 -2.928 7.226 1.00 0.00 N ATOM 1255 CA ARG B 211 -6.626 -1.939 7.053 1.00 0.00 C ATOM 1256 C ARG B 211 -7.954 -2.573 7.443 1.00 0.00 C ATOM 1257 O ARG B 211 -8.724 -1.963 8.182 1.00 0.00 O ATOM 1258 CB ARG B 211 -6.624 -1.388 5.629 1.00 0.00 C ATOM 1259 CG ARG B 211 -7.559 -0.187 5.452 1.00 0.00 C ATOM 1260 CD ARG B 211 -7.511 0.328 4.008 1.00 0.00 C ATOM 1261 NE ARG B 211 -8.133 -0.620 3.078 1.00 0.00 N ATOM 1262 CZ ARG B 211 -9.442 -0.820 2.924 1.00 0.00 C ATOM 1263 NH1 ARG B 211 -10.342 -0.056 3.528 1.00 0.00 N ATOM 1264 NH2 ARG B 211 -9.855 -1.830 2.177 1.00 0.00 N ATOM 0 H ARG B 211 -5.131 -3.265 6.363 1.00 0.00 H new ATOM 0 HA ARG B 211 -6.459 -1.083 7.708 1.00 0.00 H new ATOM 0 HB2 ARG B 211 -5.609 -1.095 5.360 1.00 0.00 H new ATOM 0 HB3 ARG B 211 -6.921 -2.178 4.939 1.00 0.00 H new ATOM 0 HG2 ARG B 211 -8.579 -0.473 5.708 1.00 0.00 H new ATOM 0 HG3 ARG B 211 -7.270 0.610 6.137 1.00 0.00 H new ATOM 0 HD2 ARG B 211 -8.022 1.289 3.946 1.00 0.00 H new ATOM 0 HD3 ARG B 211 -6.475 0.499 3.716 1.00 0.00 H new ATOM 0 HE ARG B 211 -7.507 -1.177 2.496 1.00 0.00 H new ATOM 0 HH11 ARG B 211 -10.039 0.710 4.130 1.00 0.00 H new ATOM 0 HH12 ARG B 211 -11.337 -0.234 3.390 1.00 0.00 H new ATOM 0 HH21 ARG B 211 -9.175 -2.444 1.728 1.00 0.00 H new ATOM 0 HH22 ARG B 211 -10.853 -1.996 2.050 1.00 0.00 H new ATOM 1278 N ARG B 212 -8.164 -3.849 7.104 1.00 0.00 N ATOM 1279 CA ARG B 212 -9.245 -4.648 7.654 1.00 0.00 C ATOM 1280 C ARG B 212 -9.229 -4.714 9.183 1.00 0.00 C ATOM 1281 O ARG B 212 -10.269 -5.017 9.772 1.00 0.00 O ATOM 1282 CB ARG B 212 -9.169 -6.053 7.025 1.00 0.00 C ATOM 1283 CG ARG B 212 -10.524 -6.535 6.500 1.00 0.00 C ATOM 1284 CD ARG B 212 -11.159 -7.621 7.383 1.00 0.00 C ATOM 1285 NE ARG B 212 -10.488 -8.918 7.188 1.00 0.00 N ATOM 1286 CZ ARG B 212 -10.287 -9.899 8.078 1.00 0.00 C ATOM 1287 NH1 ARG B 212 -10.750 -9.791 9.322 1.00 0.00 N ATOM 1288 NH2 ARG B 212 -9.629 -10.992 7.702 1.00 0.00 N ATOM 0 H ARG B 212 -7.581 -4.352 6.436 1.00 0.00 H new ATOM 0 HA ARG B 212 -10.193 -4.171 7.404 1.00 0.00 H new ATOM 0 HB2 ARG B 212 -8.449 -6.043 6.207 1.00 0.00 H new ATOM 0 HB3 ARG B 212 -8.798 -6.760 7.767 1.00 0.00 H new ATOM 0 HG2 ARG B 212 -11.204 -5.686 6.433 1.00 0.00 H new ATOM 0 HG3 ARG B 212 -10.398 -6.924 5.489 1.00 0.00 H new ATOM 0 HD2 ARG B 212 -11.094 -7.327 8.431 1.00 0.00 H new ATOM 0 HD3 ARG B 212 -12.218 -7.716 7.144 1.00 0.00 H new ATOM 0 HE ARG B 212 -10.128 -9.092 6.250 1.00 0.00 H new ATOM 0 HH11 ARG B 212 -11.263 -8.956 9.605 1.00 0.00 H new ATOM 0 HH12 ARG B 212 -10.592 -10.543 9.992 1.00 0.00 H new ATOM 0 HH21 ARG B 212 -9.284 -11.076 6.746 1.00 0.00 H new ATOM 0 HH22 ARG B 212 -9.469 -11.746 8.370 1.00 0.00 H new ATOM 1302 N ARG B 213 -8.106 -4.436 9.858 1.00 0.00 N ATOM 1303 CA ARG B 213 -8.089 -4.226 11.304 1.00 0.00 C ATOM 1304 C ARG B 213 -8.636 -2.840 11.639 1.00 0.00 C ATOM 1305 O ARG B 213 -9.576 -2.751 12.422 1.00 0.00 O ATOM 1306 CB ARG B 213 -6.685 -4.454 11.893 1.00 0.00 C ATOM 1307 CG ARG B 213 -6.791 -4.708 13.398 1.00 0.00 C ATOM 1308 CD ARG B 213 -5.421 -4.888 14.056 1.00 0.00 C ATOM 1309 NE ARG B 213 -5.612 -5.193 15.481 1.00 0.00 N ATOM 1310 CZ ARG B 213 -5.843 -6.406 15.998 1.00 0.00 C ATOM 1311 NH1 ARG B 213 -5.636 -7.509 15.292 1.00 0.00 N ATOM 1312 NH2 ARG B 213 -6.319 -6.513 17.230 1.00 0.00 N ATOM 0 H ARG B 213 -7.190 -4.352 9.416 1.00 0.00 H new ATOM 0 HA ARG B 213 -8.740 -4.966 11.770 1.00 0.00 H new ATOM 0 HB2 ARG B 213 -6.209 -5.304 11.404 1.00 0.00 H new ATOM 0 HB3 ARG B 213 -6.056 -3.584 11.705 1.00 0.00 H new ATOM 0 HG2 ARG B 213 -7.311 -3.874 13.869 1.00 0.00 H new ATOM 0 HG3 ARG B 213 -7.395 -5.599 13.572 1.00 0.00 H new ATOM 0 HD2 ARG B 213 -4.872 -5.694 13.569 1.00 0.00 H new ATOM 0 HD3 ARG B 213 -4.826 -3.982 13.941 1.00 0.00 H new ATOM 0 HE ARG B 213 -5.564 -4.411 16.134 1.00 0.00 H new ATOM 0 HH11 ARG B 213 -5.294 -7.444 14.333 1.00 0.00 H new ATOM 0 HH12 ARG B 213 -5.819 -8.422 15.707 1.00 0.00 H new ATOM 0 HH21 ARG B 213 -6.507 -5.674 17.779 1.00 0.00 H new ATOM 0 HH22 ARG B 213 -6.497 -7.434 17.630 1.00 0.00 H new ATOM 1326 N ARG B 214 -8.111 -1.759 11.044 1.00 0.00 N ATOM 1327 CA ARG B 214 -8.593 -0.391 11.302 1.00 0.00 C ATOM 1328 C ARG B 214 -10.089 -0.225 11.002 1.00 0.00 C ATOM 1329 O ARG B 214 -10.757 0.580 11.649 1.00 0.00 O ATOM 1330 CB ARG B 214 -7.728 0.637 10.544 1.00 0.00 C ATOM 1331 CG ARG B 214 -8.116 2.094 10.860 1.00 0.00 C ATOM 1332 CD ARG B 214 -6.923 3.036 11.070 1.00 0.00 C ATOM 1333 NE ARG B 214 -6.191 3.368 9.833 1.00 0.00 N ATOM 1334 CZ ARG B 214 -6.325 4.508 9.134 1.00 0.00 C ATOM 1335 NH1 ARG B 214 -7.347 5.328 9.357 1.00 0.00 N ATOM 1336 NH2 ARG B 214 -5.410 4.840 8.234 1.00 0.00 N ATOM 0 H ARG B 214 -7.344 -1.806 10.373 1.00 0.00 H new ATOM 0 HA ARG B 214 -8.485 -0.200 12.370 1.00 0.00 H new ATOM 0 HB2 ARG B 214 -6.680 0.482 10.800 1.00 0.00 H new ATOM 0 HB3 ARG B 214 -7.824 0.465 9.472 1.00 0.00 H new ATOM 0 HG2 ARG B 214 -8.728 2.479 10.045 1.00 0.00 H new ATOM 0 HG3 ARG B 214 -8.735 2.106 11.757 1.00 0.00 H new ATOM 0 HD2 ARG B 214 -7.279 3.959 11.527 1.00 0.00 H new ATOM 0 HD3 ARG B 214 -6.231 2.577 11.776 1.00 0.00 H new ATOM 0 HE ARG B 214 -5.530 2.676 9.480 1.00 0.00 H new ATOM 0 HH11 ARG B 214 -8.042 5.095 10.066 1.00 0.00 H new ATOM 0 HH12 ARG B 214 -7.436 6.190 8.819 1.00 0.00 H new ATOM 0 HH21 ARG B 214 -4.608 4.231 8.074 1.00 0.00 H new ATOM 0 HH22 ARG B 214 -5.508 5.704 7.702 1.00 0.00 H new ATOM 1350 N ARG B 215 -10.660 -1.053 10.127 1.00 0.00 N ATOM 1351 CA ARG B 215 -12.096 -1.126 9.865 1.00 0.00 C ATOM 1352 C ARG B 215 -12.901 -1.311 11.153 1.00 0.00 C ATOM 1353 O ARG B 215 -14.013 -0.805 11.293 1.00 0.00 O ATOM 1354 CB ARG B 215 -12.324 -2.320 8.930 1.00 0.00 C ATOM 1355 CG ARG B 215 -13.663 -2.223 8.205 1.00 0.00 C ATOM 1356 CD ARG B 215 -14.004 -3.552 7.519 1.00 0.00 C ATOM 1357 NE ARG B 215 -14.706 -3.347 6.245 1.00 0.00 N ATOM 1358 CZ ARG B 215 -15.002 -4.311 5.369 1.00 0.00 C ATOM 1359 NH1 ARG B 215 -14.918 -5.594 5.710 1.00 0.00 N ATOM 1360 NH2 ARG B 215 -15.370 -3.990 4.138 1.00 0.00 N ATOM 0 H ARG B 215 -10.119 -1.710 9.565 1.00 0.00 H new ATOM 0 HA ARG B 215 -12.434 -0.193 9.413 1.00 0.00 H new ATOM 0 HB2 ARG B 215 -11.517 -2.368 8.199 1.00 0.00 H new ATOM 0 HB3 ARG B 215 -12.288 -3.245 9.506 1.00 0.00 H new ATOM 0 HG2 ARG B 215 -14.448 -1.962 8.914 1.00 0.00 H new ATOM 0 HG3 ARG B 215 -13.624 -1.425 7.464 1.00 0.00 H new ATOM 0 HD2 ARG B 215 -13.087 -4.115 7.342 1.00 0.00 H new ATOM 0 HD3 ARG B 215 -14.625 -4.154 8.183 1.00 0.00 H new ATOM 0 HE ARG B 215 -14.989 -2.395 6.011 1.00 0.00 H new ATOM 0 HH11 ARG B 215 -14.624 -5.853 6.652 1.00 0.00 H new ATOM 0 HH12 ARG B 215 -15.147 -6.319 5.030 1.00 0.00 H new ATOM 0 HH21 ARG B 215 -15.427 -3.010 3.862 1.00 0.00 H new ATOM 0 HH22 ARG B 215 -15.597 -4.723 3.466 1.00 0.00 H new ATOM 1374 N ALA B 216 -12.343 -2.075 12.086 1.00 0.00 N ATOM 1375 CA ALA B 216 -12.904 -2.389 13.391 1.00 0.00 C ATOM 1376 C ALA B 216 -12.608 -1.328 14.459 1.00 0.00 C ATOM 1377 O ALA B 216 -12.948 -1.534 15.628 1.00 0.00 O ATOM 1378 CB ALA B 216 -12.329 -3.740 13.833 1.00 0.00 C ATOM 0 H ALA B 216 -11.435 -2.516 11.941 1.00 0.00 H new ATOM 0 HA ALA B 216 -13.989 -2.419 13.292 1.00 0.00 H new ATOM 0 HB1 ALA B 216 -12.731 -4.004 14.811 1.00 0.00 H new ATOM 0 HB2 ALA B 216 -12.603 -4.507 13.108 1.00 0.00 H new ATOM 0 HB3 ALA B 216 -11.243 -3.671 13.894 1.00 0.00 H new ATOM 1384 N ALA B 217 -11.934 -0.238 14.094 1.00 0.00 N ATOM 1385 CA ALA B 217 -11.753 0.950 14.917 1.00 0.00 C ATOM 1386 C ALA B 217 -12.655 2.076 14.407 1.00 0.00 C ATOM 1387 O ALA B 217 -13.177 2.832 15.225 1.00 0.00 O ATOM 1388 CB ALA B 217 -10.281 1.378 14.918 1.00 0.00 C ATOM 0 H ALA B 217 -11.484 -0.158 13.182 1.00 0.00 H new ATOM 0 HA ALA B 217 -12.035 0.722 15.945 1.00 0.00 H new ATOM 0 HB1 ALA B 217 -10.161 2.267 15.537 1.00 0.00 H new ATOM 0 HB2 ALA B 217 -9.668 0.571 15.319 1.00 0.00 H new ATOM 0 HB3 ALA B 217 -9.966 1.601 13.898 1.00 0.00 H new ATOM 1394 N ALA B 218 -12.872 2.167 13.088 1.00 0.00 N ATOM 1395 CA ALA B 218 -13.901 3.015 12.512 1.00 0.00 C ATOM 1396 C ALA B 218 -15.276 2.570 13.026 1.00 0.00 C ATOM 1397 O ALA B 218 -15.988 3.356 13.654 1.00 0.00 O ATOM 1398 CB ALA B 218 -13.821 3.001 10.977 1.00 0.00 C ATOM 0 H ALA B 218 -12.332 1.649 12.395 1.00 0.00 H new ATOM 0 HA ALA B 218 -13.742 4.047 12.824 1.00 0.00 H new ATOM 0 HB1 ALA B 218 -14.601 3.643 10.566 1.00 0.00 H new ATOM 0 HB2 ALA B 218 -12.845 3.368 10.660 1.00 0.00 H new ATOM 0 HB3 ALA B 218 -13.961 1.983 10.615 1.00 0.00 H new ATOM 1404 N ALA B 219 -15.649 1.310 12.765 1.00 0.00 N ATOM 1405 CA ALA B 219 -16.896 0.741 13.251 1.00 0.00 C ATOM 1406 C ALA B 219 -16.819 0.575 14.756 1.00 0.00 C ATOM 1407 O ALA B 219 -15.779 0.102 15.265 1.00 0.00 O ATOM 1408 CB ALA B 219 -17.158 -0.604 12.580 1.00 0.00 C ATOM 1409 OXT ALA B 219 -17.828 0.862 15.431 1.00 0.00 O ATOM 0 H ALA B 219 -15.089 0.663 12.210 1.00 0.00 H new ATOM 0 HA ALA B 219 -17.720 1.412 13.006 1.00 0.00 H new ATOM 0 HB1 ALA B 219 -18.094 -1.020 12.952 1.00 0.00 H new ATOM 0 HB2 ALA B 219 -17.226 -0.465 11.501 1.00 0.00 H new ATOM 0 HB3 ALA B 219 -16.341 -1.289 12.807 1.00 0.00 H new