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 180:sc= 0 USER MOD Single : B 207 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1105 N ARG B 201 3.590 14.703 6.561 1.00 0.00 N ATOM 1106 CA ARG B 201 2.806 14.546 5.327 1.00 0.00 C ATOM 1107 C ARG B 201 2.614 13.043 5.109 1.00 0.00 C ATOM 1108 O ARG B 201 3.599 12.394 4.775 1.00 0.00 O ATOM 1109 CB ARG B 201 3.500 15.195 4.096 1.00 0.00 C ATOM 1110 CG ARG B 201 3.909 16.675 4.249 1.00 0.00 C ATOM 1111 CD ARG B 201 4.433 17.288 2.940 1.00 0.00 C ATOM 1112 NE ARG B 201 4.642 18.752 3.027 1.00 0.00 N ATOM 1113 CZ ARG B 201 5.767 19.403 3.387 1.00 0.00 C ATOM 1114 NH1 ARG B 201 6.773 18.770 3.990 1.00 0.00 N ATOM 1115 NH2 ARG B 201 5.896 20.704 3.146 1.00 0.00 N ATOM 0 HA ARG B 201 1.850 15.058 5.433 1.00 0.00 H new ATOM 0 HB2 ARG B 201 4.392 14.615 3.860 1.00 0.00 H new ATOM 0 HB3 ARG B 201 2.830 15.111 3.241 1.00 0.00 H new ATOM 0 HG2 ARG B 201 3.051 17.250 4.596 1.00 0.00 H new ATOM 0 HG3 ARG B 201 4.679 16.757 5.017 1.00 0.00 H new ATOM 0 HD2 ARG B 201 5.374 16.808 2.672 1.00 0.00 H new ATOM 0 HD3 ARG B 201 3.727 17.075 2.138 1.00 0.00 H new ATOM 0 HE ARG B 201 3.841 19.336 2.786 1.00 0.00 H new ATOM 0 HH11 ARG B 201 6.702 17.772 4.188 1.00 0.00 H new ATOM 0 HH12 ARG B 201 7.614 19.284 4.253 1.00 0.00 H new ATOM 0 HH21 ARG B 201 5.142 21.215 2.687 1.00 0.00 H new ATOM 0 HH22 ARG B 201 6.749 21.191 3.420 1.00 0.00 H new ATOM 1131 N ARG B 202 1.411 12.517 5.378 1.00 0.00 N ATOM 1132 CA ARG B 202 0.973 11.119 5.353 1.00 0.00 C ATOM 1133 C ARG B 202 2.090 10.141 5.703 1.00 0.00 C ATOM 1134 O ARG B 202 2.795 9.639 4.830 1.00 0.00 O ATOM 1135 CB ARG B 202 0.229 10.780 4.047 1.00 0.00 C ATOM 1136 CG ARG B 202 -0.309 9.332 4.060 1.00 0.00 C ATOM 1137 CD ARG B 202 -1.547 9.145 3.172 1.00 0.00 C ATOM 1138 NE ARG B 202 -2.768 9.629 3.847 1.00 0.00 N ATOM 1139 CZ ARG B 202 -3.746 10.383 3.328 1.00 0.00 C ATOM 1140 NH1 ARG B 202 -3.700 10.809 2.065 1.00 0.00 N ATOM 1141 NH2 ARG B 202 -4.778 10.716 4.093 1.00 0.00 N ATOM 0 H ARG B 202 0.640 13.128 5.647 1.00 0.00 H new ATOM 0 HA ARG B 202 0.243 10.995 6.153 1.00 0.00 H new ATOM 0 HB2 ARG B 202 -0.599 11.475 3.908 1.00 0.00 H new ATOM 0 HB3 ARG B 202 0.902 10.912 3.199 1.00 0.00 H new ATOM 0 HG2 ARG B 202 0.477 8.655 3.725 1.00 0.00 H new ATOM 0 HG3 ARG B 202 -0.557 9.051 5.084 1.00 0.00 H new ATOM 0 HD2 ARG B 202 -1.409 9.683 2.234 1.00 0.00 H new ATOM 0 HD3 ARG B 202 -1.661 8.091 2.921 1.00 0.00 H new ATOM 0 HE ARG B 202 -2.880 9.357 4.824 1.00 0.00 H new ATOM 0 HH11 ARG B 202 -2.908 10.562 1.472 1.00 0.00 H new ATOM 0 HH12 ARG B 202 -4.457 11.382 1.692 1.00 0.00 H new ATOM 0 HH21 ARG B 202 -4.818 10.398 5.061 1.00 0.00 H new ATOM 0 HH22 ARG B 202 -5.531 11.290 3.713 1.00 0.00 H new ATOM 1155 N GLY B 203 2.236 9.872 7.000 1.00 0.00 N ATOM 1156 CA GLY B 203 2.933 8.691 7.454 1.00 0.00 C ATOM 1157 C GLY B 203 1.951 7.529 7.366 1.00 0.00 C ATOM 1158 O GLY B 203 1.391 7.267 6.308 1.00 0.00 O ATOM 0 H GLY B 203 1.876 10.464 7.749 1.00 0.00 H new ATOM 0 HA2 GLY B 203 3.811 8.501 6.837 1.00 0.00 H new ATOM 0 HA3 GLY B 203 3.285 8.821 8.477 1.00 0.00 H new ATOM 1162 N SER B 204 1.765 6.848 8.499 1.00 0.00 N ATOM 1163 CA SER B 204 0.931 5.669 8.735 1.00 0.00 C ATOM 1164 C SER B 204 0.693 4.847 7.461 1.00 0.00 C ATOM 1165 O SER B 204 -0.441 4.664 7.022 1.00 0.00 O ATOM 1166 CB SER B 204 -0.353 6.104 9.448 1.00 0.00 C ATOM 1167 OG SER B 204 -1.106 4.966 9.816 1.00 0.00 O ATOM 0 H SER B 204 2.240 7.136 9.355 1.00 0.00 H new ATOM 0 HA SER B 204 1.459 4.978 9.391 1.00 0.00 H new ATOM 0 HB2 SER B 204 -0.107 6.691 10.333 1.00 0.00 H new ATOM 0 HB3 SER B 204 -0.943 6.746 8.794 1.00 0.00 H new ATOM 0 HG SER B 204 -1.925 5.250 10.273 1.00 0.00 H new ATOM 1173 N ARG B 205 1.799 4.360 6.889 1.00 0.00 N ATOM 1174 CA ARG B 205 1.867 3.617 5.638 1.00 0.00 C ATOM 1175 C ARG B 205 0.836 2.474 5.674 1.00 0.00 C ATOM 1176 O ARG B 205 0.998 1.583 6.516 1.00 0.00 O ATOM 1177 CB ARG B 205 3.308 3.117 5.460 1.00 0.00 C ATOM 1178 CG ARG B 205 3.681 2.847 4.005 1.00 0.00 C ATOM 1179 CD ARG B 205 5.121 2.311 3.872 1.00 0.00 C ATOM 1180 NE ARG B 205 5.238 0.852 4.051 1.00 0.00 N ATOM 1181 CZ ARG B 205 5.360 0.113 5.162 1.00 0.00 C ATOM 1182 NH1 ARG B 205 5.365 0.655 6.374 1.00 0.00 N ATOM 1183 NH2 ARG B 205 5.482 -1.200 5.044 1.00 0.00 N ATOM 0 H ARG B 205 2.718 4.483 7.314 1.00 0.00 H new ATOM 0 HA ARG B 205 1.618 4.242 4.780 1.00 0.00 H new ATOM 0 HB2 ARG B 205 3.995 3.856 5.872 1.00 0.00 H new ATOM 0 HB3 ARG B 205 3.441 2.202 6.037 1.00 0.00 H new ATOM 0 HG2 ARG B 205 2.984 2.125 3.579 1.00 0.00 H new ATOM 0 HG3 ARG B 205 3.581 3.766 3.428 1.00 0.00 H new ATOM 0 HD2 ARG B 205 5.507 2.578 2.888 1.00 0.00 H new ATOM 0 HD3 ARG B 205 5.752 2.809 4.608 1.00 0.00 H new ATOM 0 HE ARG B 205 5.224 0.315 3.184 1.00 0.00 H new ATOM 0 HH11 ARG B 205 5.274 1.665 6.481 1.00 0.00 H new ATOM 0 HH12 ARG B 205 5.460 0.061 7.198 1.00 0.00 H new ATOM 0 HH21 ARG B 205 5.482 -1.631 4.120 1.00 0.00 H new ATOM 0 HH22 ARG B 205 5.576 -1.780 5.877 1.00 0.00 H new ATOM 1197 N PRO B 206 -0.245 2.533 4.880 1.00 0.00 N ATOM 1198 CA PRO B 206 -1.401 1.670 5.062 1.00 0.00 C ATOM 1199 C PRO B 206 -1.171 0.304 4.406 1.00 0.00 C ATOM 1200 O PRO B 206 -1.615 0.052 3.284 1.00 0.00 O ATOM 1201 CB PRO B 206 -2.562 2.459 4.452 1.00 0.00 C ATOM 1202 CG PRO B 206 -1.911 3.257 3.327 1.00 0.00 C ATOM 1203 CD PRO B 206 -0.535 3.576 3.902 1.00 0.00 C ATOM 0 HA PRO B 206 -1.606 1.431 6.106 1.00 0.00 H new ATOM 0 HB2 PRO B 206 -3.340 1.796 4.073 1.00 0.00 H new ATOM 0 HB3 PRO B 206 -3.030 3.113 5.187 1.00 0.00 H new ATOM 0 HG2 PRO B 206 -1.842 2.678 2.406 1.00 0.00 H new ATOM 0 HG3 PRO B 206 -2.473 4.161 3.093 1.00 0.00 H new ATOM 0 HD2 PRO B 206 0.220 3.592 3.116 1.00 0.00 H new ATOM 0 HD3 PRO B 206 -0.529 4.560 4.370 1.00 0.00 H new ATOM 1211 N SER B 207 -0.476 -0.595 5.099 1.00 0.00 N ATOM 1212 CA SER B 207 -0.133 -1.904 4.606 1.00 0.00 C ATOM 1213 C SER B 207 -1.408 -2.725 4.425 1.00 0.00 C ATOM 1214 O SER B 207 -2.287 -2.639 5.279 1.00 0.00 O ATOM 1215 CB SER B 207 0.829 -2.511 5.629 1.00 0.00 C ATOM 1216 OG SER B 207 1.921 -1.632 5.867 1.00 0.00 O ATOM 0 H SER B 207 -0.132 -0.417 6.043 1.00 0.00 H new ATOM 0 HA SER B 207 0.352 -1.876 3.630 1.00 0.00 H new ATOM 0 HB2 SER B 207 0.301 -2.706 6.563 1.00 0.00 H new ATOM 0 HB3 SER B 207 1.199 -3.470 5.265 1.00 0.00 H new ATOM 0 HG SER B 207 2.527 -2.033 6.525 1.00 0.00 H new ATOM 1222 N GLY B 208 -1.522 -3.500 3.342 1.00 0.00 N ATOM 1223 CA GLY B 208 -2.772 -4.089 2.867 1.00 0.00 C ATOM 1224 C GLY B 208 -3.567 -4.767 3.981 1.00 0.00 C ATOM 1225 O GLY B 208 -4.693 -4.364 4.273 1.00 0.00 O ATOM 0 H GLY B 208 -0.722 -3.740 2.756 1.00 0.00 H new ATOM 0 HA2 GLY B 208 -3.385 -3.311 2.411 1.00 0.00 H new ATOM 0 HA3 GLY B 208 -2.552 -4.819 2.088 1.00 0.00 H new ATOM 1229 N ALA B 209 -2.977 -5.774 4.628 1.00 0.00 N ATOM 1230 CA ALA B 209 -3.637 -6.534 5.685 1.00 0.00 C ATOM 1231 C ALA B 209 -3.858 -5.727 6.970 1.00 0.00 C ATOM 1232 O ALA B 209 -4.599 -6.185 7.838 1.00 0.00 O ATOM 1233 CB ALA B 209 -2.847 -7.806 5.999 1.00 0.00 C ATOM 0 H ALA B 209 -2.025 -6.084 4.431 1.00 0.00 H new ATOM 0 HA ALA B 209 -4.625 -6.792 5.303 1.00 0.00 H new ATOM 0 HB1 ALA B 209 -3.352 -8.362 6.789 1.00 0.00 H new ATOM 0 HB2 ALA B 209 -2.783 -8.425 5.104 1.00 0.00 H new ATOM 0 HB3 ALA B 209 -1.843 -7.539 6.328 1.00 0.00 H new ATOM 1239 N GLU B 210 -3.236 -4.558 7.139 1.00 0.00 N ATOM 1240 CA GLU B 210 -3.524 -3.675 8.258 1.00 0.00 C ATOM 1241 C GLU B 210 -4.710 -2.788 7.885 1.00 0.00 C ATOM 1242 O GLU B 210 -5.730 -2.778 8.570 1.00 0.00 O ATOM 1243 CB GLU B 210 -2.264 -2.856 8.592 1.00 0.00 C ATOM 1244 CG GLU B 210 -2.257 -2.420 10.060 1.00 0.00 C ATOM 1245 CD GLU B 210 -1.658 -3.463 11.013 1.00 0.00 C ATOM 1246 OE1 GLU B 210 -1.726 -4.687 10.761 1.00 0.00 O ATOM 1247 OE2 GLU B 210 -1.057 -3.028 12.028 1.00 0.00 O ATOM 0 H GLU B 210 -2.522 -4.203 6.503 1.00 0.00 H new ATOM 0 HA GLU B 210 -3.793 -4.241 9.150 1.00 0.00 H new ATOM 0 HB2 GLU B 210 -1.375 -3.451 8.383 1.00 0.00 H new ATOM 0 HB3 GLU B 210 -2.218 -1.977 7.949 1.00 0.00 H new ATOM 0 HG2 GLU B 210 -1.693 -1.492 10.151 1.00 0.00 H new ATOM 0 HG3 GLU B 210 -3.279 -2.203 10.370 1.00 0.00 H new ATOM 1254 N ARG B 211 -4.609 -2.095 6.748 1.00 0.00 N ATOM 1255 CA ARG B 211 -5.629 -1.220 6.182 1.00 0.00 C ATOM 1256 C ARG B 211 -6.942 -1.969 5.955 1.00 0.00 C ATOM 1257 O ARG B 211 -8.006 -1.361 6.026 1.00 0.00 O ATOM 1258 CB ARG B 211 -5.090 -0.646 4.865 1.00 0.00 C ATOM 1259 CG ARG B 211 -5.793 0.650 4.433 1.00 0.00 C ATOM 1260 CD ARG B 211 -5.636 0.825 2.913 1.00 0.00 C ATOM 1261 NE ARG B 211 -5.440 2.205 2.437 1.00 0.00 N ATOM 1262 CZ ARG B 211 -6.152 3.312 2.671 1.00 0.00 C ATOM 1263 NH1 ARG B 211 -7.187 3.318 3.498 1.00 0.00 N ATOM 1264 NH2 ARG B 211 -5.807 4.431 2.049 1.00 0.00 N ATOM 0 H ARG B 211 -3.769 -2.134 6.171 1.00 0.00 H new ATOM 0 HA ARG B 211 -5.846 -0.412 6.880 1.00 0.00 H new ATOM 0 HB2 ARG B 211 -4.022 -0.454 4.971 1.00 0.00 H new ATOM 0 HB3 ARG B 211 -5.203 -1.392 4.078 1.00 0.00 H new ATOM 0 HG2 ARG B 211 -6.849 0.612 4.700 1.00 0.00 H new ATOM 0 HG3 ARG B 211 -5.362 1.504 4.956 1.00 0.00 H new ATOM 0 HD2 ARG B 211 -4.788 0.225 2.584 1.00 0.00 H new ATOM 0 HD3 ARG B 211 -6.522 0.417 2.427 1.00 0.00 H new ATOM 0 HE ARG B 211 -4.630 2.337 1.831 1.00 0.00 H new ATOM 0 HH11 ARG B 211 -7.461 2.461 3.978 1.00 0.00 H new ATOM 0 HH12 ARG B 211 -7.710 4.180 3.655 1.00 0.00 H new ATOM 0 HH21 ARG B 211 -5.014 4.434 1.408 1.00 0.00 H new ATOM 0 HH22 ARG B 211 -6.335 5.288 2.211 1.00 0.00 H new ATOM 1278 N ARG B 212 -6.902 -3.295 5.785 1.00 0.00 N ATOM 1279 CA ARG B 212 -8.037 -4.198 5.791 1.00 0.00 C ATOM 1280 C ARG B 212 -9.012 -3.901 6.929 1.00 0.00 C ATOM 1281 O ARG B 212 -10.219 -4.053 6.721 1.00 0.00 O ATOM 1282 CB ARG B 212 -7.488 -5.630 5.920 1.00 0.00 C ATOM 1283 CG ARG B 212 -7.993 -6.577 4.830 1.00 0.00 C ATOM 1284 CD ARG B 212 -8.007 -8.005 5.384 1.00 0.00 C ATOM 1285 NE ARG B 212 -8.239 -9.027 4.351 1.00 0.00 N ATOM 1286 CZ ARG B 212 -7.968 -10.324 4.531 1.00 0.00 C ATOM 1287 NH1 ARG B 212 -7.707 -10.802 5.743 1.00 0.00 N ATOM 1288 NH2 ARG B 212 -7.973 -11.158 3.501 1.00 0.00 N ATOM 0 H ARG B 212 -6.021 -3.786 5.631 1.00 0.00 H new ATOM 0 HA ARG B 212 -8.599 -4.071 4.866 1.00 0.00 H new ATOM 0 HB2 ARG B 212 -6.399 -5.598 5.886 1.00 0.00 H new ATOM 0 HB3 ARG B 212 -7.765 -6.030 6.895 1.00 0.00 H new ATOM 0 HG2 ARG B 212 -8.994 -6.286 4.511 1.00 0.00 H new ATOM 0 HG3 ARG B 212 -7.350 -6.519 3.952 1.00 0.00 H new ATOM 0 HD2 ARG B 212 -7.056 -8.206 5.877 1.00 0.00 H new ATOM 0 HD3 ARG B 212 -8.783 -8.085 6.145 1.00 0.00 H new ATOM 0 HE ARG B 212 -8.625 -8.732 3.454 1.00 0.00 H new ATOM 0 HH11 ARG B 212 -7.712 -10.178 6.549 1.00 0.00 H new ATOM 0 HH12 ARG B 212 -7.502 -11.793 5.867 1.00 0.00 H new ATOM 0 HH21 ARG B 212 -8.184 -10.811 2.565 1.00 0.00 H new ATOM 0 HH22 ARG B 212 -7.766 -12.146 3.644 1.00 0.00 H new ATOM 1302 N ARG B 213 -8.535 -3.481 8.112 1.00 0.00 N ATOM 1303 CA ARG B 213 -9.460 -3.170 9.201 1.00 0.00 C ATOM 1304 C ARG B 213 -10.280 -1.905 8.947 1.00 0.00 C ATOM 1305 O ARG B 213 -11.339 -1.792 9.553 1.00 0.00 O ATOM 1306 CB ARG B 213 -8.771 -3.132 10.578 1.00 0.00 C ATOM 1307 CG ARG B 213 -8.043 -1.818 10.913 1.00 0.00 C ATOM 1308 CD ARG B 213 -7.719 -1.720 12.404 1.00 0.00 C ATOM 1309 NE ARG B 213 -6.663 -2.649 12.839 1.00 0.00 N ATOM 1310 CZ ARG B 213 -5.355 -2.370 12.872 1.00 0.00 C ATOM 1311 NH1 ARG B 213 -4.854 -1.293 12.272 1.00 0.00 N ATOM 1312 NH2 ARG B 213 -4.545 -3.181 13.541 1.00 0.00 N ATOM 0 H ARG B 213 -7.547 -3.354 8.330 1.00 0.00 H new ATOM 0 HA ARG B 213 -10.166 -4.000 9.223 1.00 0.00 H new ATOM 0 HB2 ARG B 213 -9.521 -3.319 11.347 1.00 0.00 H new ATOM 0 HB3 ARG B 213 -8.052 -3.950 10.629 1.00 0.00 H new ATOM 0 HG2 ARG B 213 -7.121 -1.754 10.335 1.00 0.00 H new ATOM 0 HG3 ARG B 213 -8.664 -0.972 10.618 1.00 0.00 H new ATOM 0 HD2 ARG B 213 -7.412 -0.700 12.634 1.00 0.00 H new ATOM 0 HD3 ARG B 213 -8.624 -1.917 12.978 1.00 0.00 H new ATOM 0 HE ARG B 213 -6.952 -3.580 13.139 1.00 0.00 H new ATOM 0 HH11 ARG B 213 -5.472 -0.655 11.770 1.00 0.00 H new ATOM 0 HH12 ARG B 213 -3.852 -1.106 12.314 1.00 0.00 H new ATOM 0 HH21 ARG B 213 -4.923 -4.000 14.018 1.00 0.00 H new ATOM 0 HH22 ARG B 213 -3.545 -2.986 13.578 1.00 0.00 H new ATOM 1326 N ARG B 214 -9.848 -0.963 8.092 1.00 0.00 N ATOM 1327 CA ARG B 214 -10.581 0.290 7.847 1.00 0.00 C ATOM 1328 C ARG B 214 -11.991 -0.011 7.360 1.00 0.00 C ATOM 1329 O ARG B 214 -12.936 0.660 7.769 1.00 0.00 O ATOM 1330 CB ARG B 214 -9.829 1.206 6.854 1.00 0.00 C ATOM 1331 CG ARG B 214 -10.413 2.633 6.779 1.00 0.00 C ATOM 1332 CD ARG B 214 -11.473 2.862 5.683 1.00 0.00 C ATOM 1333 NE ARG B 214 -10.918 3.560 4.507 1.00 0.00 N ATOM 1334 CZ ARG B 214 -11.557 3.813 3.355 1.00 0.00 C ATOM 1335 NH1 ARG B 214 -12.813 3.448 3.163 1.00 0.00 N ATOM 1336 NH2 ARG B 214 -10.967 4.439 2.347 1.00 0.00 N ATOM 0 H ARG B 214 -8.986 -1.048 7.554 1.00 0.00 H new ATOM 0 HA ARG B 214 -10.649 0.831 8.791 1.00 0.00 H new ATOM 0 HB2 ARG B 214 -8.781 1.265 7.147 1.00 0.00 H new ATOM 0 HB3 ARG B 214 -9.858 0.756 5.862 1.00 0.00 H new ATOM 0 HG2 ARG B 214 -10.856 2.876 7.745 1.00 0.00 H new ATOM 0 HG3 ARG B 214 -9.594 3.334 6.619 1.00 0.00 H new ATOM 0 HD2 ARG B 214 -11.885 1.902 5.372 1.00 0.00 H new ATOM 0 HD3 ARG B 214 -12.297 3.445 6.094 1.00 0.00 H new ATOM 0 HE ARG B 214 -9.953 3.882 4.577 1.00 0.00 H new ATOM 0 HH11 ARG B 214 -13.321 2.961 3.901 1.00 0.00 H new ATOM 0 HH12 ARG B 214 -13.274 3.654 2.277 1.00 0.00 H new ATOM 0 HH21 ARG B 214 -9.998 4.744 2.434 1.00 0.00 H new ATOM 0 HH22 ARG B 214 -11.482 4.615 1.485 1.00 0.00 H new ATOM 1350 N ARG B 215 -12.134 -1.070 6.557 1.00 0.00 N ATOM 1351 CA ARG B 215 -13.412 -1.585 6.087 1.00 0.00 C ATOM 1352 C ARG B 215 -14.311 -1.812 7.301 1.00 0.00 C ATOM 1353 O ARG B 215 -15.363 -1.195 7.452 1.00 0.00 O ATOM 1354 CB ARG B 215 -13.201 -2.891 5.284 1.00 0.00 C ATOM 1355 CG ARG B 215 -12.030 -2.878 4.276 1.00 0.00 C ATOM 1356 CD ARG B 215 -11.910 -4.205 3.511 1.00 0.00 C ATOM 1357 NE ARG B 215 -11.667 -5.355 4.397 1.00 0.00 N ATOM 1358 CZ ARG B 215 -11.781 -6.641 4.035 1.00 0.00 C ATOM 1359 NH1 ARG B 215 -12.027 -6.993 2.777 1.00 0.00 N ATOM 1360 NH2 ARG B 215 -11.625 -7.595 4.947 1.00 0.00 N ATOM 0 H ARG B 215 -11.337 -1.604 6.209 1.00 0.00 H new ATOM 0 HA ARG B 215 -13.889 -0.870 5.417 1.00 0.00 H new ATOM 0 HB2 ARG B 215 -13.040 -3.707 5.989 1.00 0.00 H new ATOM 0 HB3 ARG B 215 -14.120 -3.115 4.742 1.00 0.00 H new ATOM 0 HG2 ARG B 215 -12.172 -2.063 3.567 1.00 0.00 H new ATOM 0 HG3 ARG B 215 -11.098 -2.680 4.806 1.00 0.00 H new ATOM 0 HD2 ARG B 215 -12.825 -4.376 2.944 1.00 0.00 H new ATOM 0 HD3 ARG B 215 -11.097 -4.130 2.789 1.00 0.00 H new ATOM 0 HE ARG B 215 -11.391 -5.159 5.359 1.00 0.00 H new ATOM 0 HH11 ARG B 215 -12.134 -6.277 2.059 1.00 0.00 H new ATOM 0 HH12 ARG B 215 -12.109 -7.979 2.530 1.00 0.00 H new ATOM 0 HH21 ARG B 215 -11.420 -7.347 5.915 1.00 0.00 H new ATOM 0 HH22 ARG B 215 -11.710 -8.575 4.679 1.00 0.00 H new ATOM 1374 N ALA B 216 -13.842 -2.650 8.220 1.00 0.00 N ATOM 1375 CA ALA B 216 -14.474 -2.986 9.482 1.00 0.00 C ATOM 1376 C ALA B 216 -14.372 -1.865 10.536 1.00 0.00 C ATOM 1377 O ALA B 216 -14.560 -2.152 11.719 1.00 0.00 O ATOM 1378 CB ALA B 216 -13.831 -4.288 9.984 1.00 0.00 C ATOM 0 H ALA B 216 -12.957 -3.140 8.091 1.00 0.00 H new ATOM 0 HA ALA B 216 -15.544 -3.115 9.319 1.00 0.00 H new ATOM 0 HB1 ALA B 216 -14.282 -4.574 10.934 1.00 0.00 H new ATOM 0 HB2 ALA B 216 -13.994 -5.080 9.253 1.00 0.00 H new ATOM 0 HB3 ALA B 216 -12.761 -4.136 10.122 1.00 0.00 H new ATOM 1384 N ALA B 217 -14.043 -0.623 10.163 1.00 0.00 N ATOM 1385 CA ALA B 217 -13.955 0.522 11.069 1.00 0.00 C ATOM 1386 C ALA B 217 -14.895 1.650 10.636 1.00 0.00 C ATOM 1387 O ALA B 217 -15.348 2.411 11.494 1.00 0.00 O ATOM 1388 CB ALA B 217 -12.508 1.011 11.172 1.00 0.00 C ATOM 0 H ALA B 217 -13.825 -0.383 9.196 1.00 0.00 H new ATOM 0 HA ALA B 217 -14.276 0.198 12.059 1.00 0.00 H new ATOM 0 HB1 ALA B 217 -12.459 1.863 11.850 1.00 0.00 H new ATOM 0 HB2 ALA B 217 -11.879 0.207 11.554 1.00 0.00 H new ATOM 0 HB3 ALA B 217 -12.154 1.311 10.186 1.00 0.00 H new ATOM 1394 N ALA B 218 -15.244 1.728 9.347 1.00 0.00 N ATOM 1395 CA ALA B 218 -16.446 2.358 8.842 1.00 0.00 C ATOM 1396 C ALA B 218 -17.703 1.497 9.086 1.00 0.00 C ATOM 1397 O ALA B 218 -18.812 1.911 8.739 1.00 0.00 O ATOM 1398 CB ALA B 218 -16.267 2.646 7.351 1.00 0.00 C ATOM 0 H ALA B 218 -14.665 1.334 8.605 1.00 0.00 H new ATOM 0 HA ALA B 218 -16.600 3.291 9.385 1.00 0.00 H new ATOM 0 HB1 ALA B 218 -17.168 3.121 6.961 1.00 0.00 H new ATOM 0 HB2 ALA B 218 -15.415 3.311 7.209 1.00 0.00 H new ATOM 0 HB3 ALA B 218 -16.090 1.711 6.819 1.00 0.00 H new ATOM 1404 N ALA B 219 -17.532 0.293 9.642 1.00 0.00 N ATOM 1405 CA ALA B 219 -18.606 -0.511 10.192 1.00 0.00 C ATOM 1406 C ALA B 219 -18.992 0.103 11.526 1.00 0.00 C ATOM 1407 O ALA B 219 -19.984 0.857 11.584 1.00 0.00 O ATOM 1408 CB ALA B 219 -18.144 -1.965 10.342 1.00 0.00 C ATOM 1409 OXT ALA B 219 -18.336 -0.211 12.545 1.00 0.00 O ATOM 0 H ALA B 219 -16.617 -0.152 9.719 1.00 0.00 H new ATOM 0 HA ALA B 219 -19.475 -0.522 9.534 1.00 0.00 H new ATOM 0 HB1 ALA B 219 -18.955 -2.564 10.756 1.00 0.00 H new ATOM 0 HB2 ALA B 219 -17.863 -2.360 9.366 1.00 0.00 H new ATOM 0 HB3 ALA B 219 -17.285 -2.007 11.011 1.00 0.00 H new