USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 Set 1.1: B 380 TYR OH : rot 180:sc= -2.63! USER MOD Set 1.2: B 444 GLN :FLIP amide:sc= -0.735! C(o=-6.4!,f=-3.4!) USER MOD Single : B 368 MET CE :methyl 163:sc= -0.0116 (180deg=-0.186) USER MOD Single : B 369 ASN :FLIP amide:sc= -1.36 F(o=-2.2,f=-1.4) USER MOD Single : B 371 LYS NZ :NH3+ -162:sc= 0.509 (180deg=-0.25!) USER MOD Single : B 373 GLN :FLIP amide:sc= -7.56! C(o=-9.1!,f=-7.6!) USER MOD Single : B 375 TYR OH : rot 180:sc= 0 USER MOD Single : B 376 SER OG : rot 180:sc= 0 USER MOD Single : B 382 SER OG : rot 180:sc= 0 USER MOD Single : B 386 HIS : no HE2:sc= -0.317 K(o=-0.32,f=-0.98) USER MOD Single : B 387 TYR OH : rot -131:sc= -2.72! USER MOD Single : B 389 THR OG1 : rot 180:sc= 0 USER MOD Single : B 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 399 ASN : amide:sc= -6.78! C(o=-6.8!,f=-11!) USER MOD Single : B 400 SER OG : rot 55:sc= -0.731! USER MOD Single : B 404 CYS SG : rot -155:sc= -3.62! USER MOD Single : B 410 THR OG1 : rot 180:sc= 0 USER MOD Single : B 414 THR OG1 : rot 180:sc= 0 USER MOD Single : B 419 ASN : amide:sc= -6.22! C(o=-6.2!,f=-16!) USER MOD Single : B 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -3.88! C(o=-3.9!,f=-12!) USER MOD Single : B 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 437 MET CE :methyl -153:sc= -4.1! (180deg=-7.46!) USER MOD Single : B 441 TYR OH : rot 180:sc= 0 USER MOD Single : B 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1050 N LEU B 366 2.110 0.127 10.674 1.00 0.00 N ATOM 1051 CA LEU B 366 0.743 0.542 10.397 1.00 0.00 C ATOM 1052 C LEU B 366 0.653 1.280 9.066 1.00 0.00 C ATOM 1053 O LEU B 366 1.280 2.322 8.878 1.00 0.00 O ATOM 1054 CB LEU B 366 0.232 1.436 11.527 1.00 0.00 C ATOM 1055 CG LEU B 366 -1.216 1.182 11.952 1.00 0.00 C ATOM 1056 CD1 LEU B 366 -1.281 0.770 13.415 1.00 0.00 C ATOM 1057 CD2 LEU B 366 -2.066 2.418 11.705 1.00 0.00 C ATOM 0 HA LEU B 366 0.121 -0.351 10.333 1.00 0.00 H new ATOM 0 HB2 LEU B 366 0.878 1.303 12.395 1.00 0.00 H new ATOM 0 HB3 LEU B 366 0.326 2.477 11.217 1.00 0.00 H new ATOM 0 HG LEU B 366 -1.613 0.365 11.350 1.00 0.00 H new ATOM 0 HD11 LEU B 366 -2.319 0.594 13.698 1.00 0.00 H new ATOM 0 HD12 LEU B 366 -0.705 -0.144 13.562 1.00 0.00 H new ATOM 0 HD13 LEU B 366 -0.866 1.564 14.035 1.00 0.00 H new ATOM 0 HD21 LEU B 366 -3.093 2.221 12.013 1.00 0.00 H new ATOM 0 HD22 LEU B 366 -1.669 3.254 12.281 1.00 0.00 H new ATOM 0 HD23 LEU B 366 -2.046 2.667 10.644 1.00 0.00 H new ATOM 1069 N ASP B 367 -0.141 0.738 8.146 1.00 0.00 N ATOM 1070 CA ASP B 367 -0.320 1.359 6.840 1.00 0.00 C ATOM 1071 C ASP B 367 -0.884 2.761 7.009 1.00 0.00 C ATOM 1072 O ASP B 367 -0.254 3.748 6.630 1.00 0.00 O ATOM 1073 CB ASP B 367 -1.255 0.516 5.970 1.00 0.00 C ATOM 1074 CG ASP B 367 -0.968 0.676 4.490 1.00 0.00 C ATOM 1075 OD1 ASP B 367 -1.119 1.804 3.975 1.00 0.00 O ATOM 1076 OD2 ASP B 367 -0.592 -0.327 3.847 1.00 0.00 O ATOM 0 H ASP B 367 -0.667 -0.125 8.281 1.00 0.00 H new ATOM 0 HA ASP B 367 0.649 1.421 6.345 1.00 0.00 H new ATOM 0 HB2 ASP B 367 -1.155 -0.534 6.245 1.00 0.00 H new ATOM 0 HB3 ASP B 367 -2.288 0.801 6.170 1.00 0.00 H new ATOM 1081 N MET B 368 -2.077 2.833 7.589 1.00 0.00 N ATOM 1082 CA MET B 368 -2.736 4.108 7.827 1.00 0.00 C ATOM 1083 C MET B 368 -1.712 5.188 8.157 1.00 0.00 C ATOM 1084 O MET B 368 -1.716 6.267 7.564 1.00 0.00 O ATOM 1085 CB MET B 368 -3.740 3.979 8.974 1.00 0.00 C ATOM 1086 CG MET B 368 -4.748 5.114 9.033 1.00 0.00 C ATOM 1087 SD MET B 368 -5.268 5.493 10.717 1.00 0.00 S ATOM 1088 CE MET B 368 -3.804 6.312 11.348 1.00 0.00 C ATOM 0 H MET B 368 -2.607 2.020 7.903 1.00 0.00 H new ATOM 0 HA MET B 368 -3.266 4.394 6.918 1.00 0.00 H new ATOM 0 HB2 MET B 368 -4.275 3.035 8.873 1.00 0.00 H new ATOM 0 HB3 MET B 368 -3.197 3.938 9.918 1.00 0.00 H new ATOM 0 HG2 MET B 368 -4.312 6.006 8.582 1.00 0.00 H new ATOM 0 HG3 MET B 368 -5.622 4.850 8.438 1.00 0.00 H new ATOM 0 HE1 MET B 368 -4.058 6.867 12.251 1.00 0.00 H new ATOM 0 HE2 MET B 368 -3.043 5.568 11.581 1.00 0.00 H new ATOM 0 HE3 MET B 368 -3.420 7.001 10.596 1.00 0.00 H new ATOM 1098 N ASN B 369 -0.836 4.885 9.106 1.00 0.00 N ATOM 1099 CA ASN B 369 0.197 5.825 9.526 1.00 0.00 C ATOM 1100 C ASN B 369 1.145 6.168 8.383 1.00 0.00 C ATOM 1101 O ASN B 369 1.437 7.341 8.142 1.00 0.00 O ATOM 1102 CB ASN B 369 0.989 5.252 10.696 1.00 0.00 C ATOM 1103 CG ASN B 369 0.235 5.353 12.007 1.00 0.00 C ATOM 1104 OD1 ASN B 369 0.379 4.341 12.852 1.00 0.00 O flip ATOM 1105 ND2 ASN B 369 -0.469 6.331 12.257 1.00 0.00 N flip ATOM 0 H ASN B 369 -0.820 3.993 9.601 1.00 0.00 H new ATOM 0 HA ASN B 369 -0.303 6.742 9.838 1.00 0.00 H new ATOM 0 HB2 ASN B 369 1.225 4.207 10.495 1.00 0.00 H new ATOM 0 HB3 ASN B 369 1.938 5.782 10.784 1.00 0.00 H new ATOM 0 HD21 ASN B 369 -0.551 7.087 11.578 1.00 0.00 H new ATOM 0 HD22 ASN B 369 -0.970 6.385 13.144 1.00 0.00 H new ATOM 1112 N ALA B 370 1.631 5.150 7.678 1.00 0.00 N ATOM 1113 CA ALA B 370 2.547 5.368 6.567 1.00 0.00 C ATOM 1114 C ALA B 370 1.857 6.126 5.442 1.00 0.00 C ATOM 1115 O ALA B 370 2.132 7.302 5.216 1.00 0.00 O ATOM 1116 CB ALA B 370 3.104 4.049 6.054 1.00 0.00 C ATOM 0 H ALA B 370 1.406 4.171 7.857 1.00 0.00 H new ATOM 0 HA ALA B 370 3.379 5.971 6.931 1.00 0.00 H new ATOM 0 HB1 ALA B 370 3.785 4.240 5.225 1.00 0.00 H new ATOM 0 HB2 ALA B 370 3.642 3.544 6.857 1.00 0.00 H new ATOM 0 HB3 ALA B 370 2.285 3.416 5.713 1.00 0.00 H new ATOM 1122 N LYS B 371 0.961 5.443 4.737 1.00 0.00 N ATOM 1123 CA LYS B 371 0.226 6.053 3.634 1.00 0.00 C ATOM 1124 C LYS B 371 -0.069 7.520 3.924 1.00 0.00 C ATOM 1125 O LYS B 371 0.060 8.375 3.048 1.00 0.00 O ATOM 1126 CB LYS B 371 -1.084 5.303 3.393 1.00 0.00 C ATOM 1127 CG LYS B 371 -1.734 4.805 4.673 1.00 0.00 C ATOM 1128 CD LYS B 371 -3.235 5.047 4.669 1.00 0.00 C ATOM 1129 CE LYS B 371 -4.011 3.737 4.634 1.00 0.00 C ATOM 1130 NZ LYS B 371 -3.429 2.766 3.667 1.00 0.00 N ATOM 0 H LYS B 371 0.726 4.466 4.910 1.00 0.00 H new ATOM 0 HA LYS B 371 0.846 5.992 2.740 1.00 0.00 H new ATOM 0 HB2 LYS B 371 -1.780 5.960 2.872 1.00 0.00 H new ATOM 0 HB3 LYS B 371 -0.894 4.454 2.736 1.00 0.00 H new ATOM 0 HG2 LYS B 371 -1.537 3.739 4.791 1.00 0.00 H new ATOM 0 HG3 LYS B 371 -1.286 5.309 5.529 1.00 0.00 H new ATOM 0 HD2 LYS B 371 -3.516 5.614 5.557 1.00 0.00 H new ATOM 0 HD3 LYS B 371 -3.505 5.654 3.805 1.00 0.00 H new ATOM 0 HE2 LYS B 371 -4.020 3.295 5.630 1.00 0.00 H new ATOM 0 HE3 LYS B 371 -5.048 3.938 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 -4.132 2.032 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 -3.162 3.264 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 -2.586 2.323 4.085 1.00 0.00 H new ATOM 1144 N ARG B 372 -0.470 7.800 5.160 1.00 0.00 N ATOM 1145 CA ARG B 372 -0.789 9.163 5.567 1.00 0.00 C ATOM 1146 C ARG B 372 0.455 10.046 5.564 1.00 0.00 C ATOM 1147 O ARG B 372 0.402 11.201 5.158 1.00 0.00 O ATOM 1148 CB ARG B 372 -1.428 9.165 6.955 1.00 0.00 C ATOM 1149 CG ARG B 372 -2.358 10.343 7.196 1.00 0.00 C ATOM 1150 CD ARG B 372 -2.170 10.922 8.589 1.00 0.00 C ATOM 1151 NE ARG B 372 -0.855 11.540 8.757 1.00 0.00 N ATOM 1152 CZ ARG B 372 0.196 10.923 9.295 1.00 0.00 C ATOM 1153 NH1 ARG B 372 0.105 9.662 9.702 1.00 0.00 N ATOM 1154 NH2 ARG B 372 1.348 11.568 9.421 1.00 0.00 N ATOM 0 H ARG B 372 -0.581 7.102 5.896 1.00 0.00 H new ATOM 0 HA ARG B 372 -1.497 9.571 4.846 1.00 0.00 H new ATOM 0 HB2 ARG B 372 -1.986 8.239 7.090 1.00 0.00 H new ATOM 0 HB3 ARG B 372 -0.640 9.175 7.708 1.00 0.00 H new ATOM 0 HG2 ARG B 372 -2.170 11.116 6.451 1.00 0.00 H new ATOM 0 HG3 ARG B 372 -3.392 10.024 7.070 1.00 0.00 H new ATOM 0 HD2 ARG B 372 -2.945 11.664 8.780 1.00 0.00 H new ATOM 0 HD3 ARG B 372 -2.296 10.132 9.329 1.00 0.00 H new ATOM 0 HE ARG B 372 -0.735 12.503 8.443 1.00 0.00 H new ATOM 0 HH11 ARG B 372 -0.776 9.157 9.604 1.00 0.00 H new ATOM 0 HH12 ARG B 372 0.916 9.199 10.113 1.00 0.00 H new ATOM 0 HH21 ARG B 372 1.428 12.535 9.106 1.00 0.00 H new ATOM 0 HH22 ARG B 372 2.154 11.097 9.833 1.00 0.00 H new ATOM 1168 N GLN B 373 1.579 9.497 6.001 1.00 0.00 N ATOM 1169 CA GLN B 373 2.820 10.256 6.027 1.00 0.00 C ATOM 1170 C GLN B 373 3.222 10.664 4.618 1.00 0.00 C ATOM 1171 O GLN B 373 3.446 11.841 4.334 1.00 0.00 O ATOM 1172 CB GLN B 373 3.940 9.432 6.671 1.00 0.00 C ATOM 1173 CG GLN B 373 4.567 10.114 7.876 1.00 0.00 C ATOM 1174 CD GLN B 373 5.148 11.476 7.545 1.00 0.00 C ATOM 1175 OE1 GLN B 373 5.543 11.666 6.290 1.00 0.00 O flip ATOM 1176 NE2 GLN B 373 5.246 12.344 8.410 1.00 0.00 N flip ATOM 0 H GLN B 373 1.657 8.538 6.339 1.00 0.00 H new ATOM 0 HA GLN B 373 2.658 11.155 6.622 1.00 0.00 H new ATOM 0 HB2 GLN B 373 3.541 8.464 6.976 1.00 0.00 H new ATOM 0 HB3 GLN B 373 4.713 9.238 5.928 1.00 0.00 H new ATOM 0 HG2 GLN B 373 3.815 10.225 8.657 1.00 0.00 H new ATOM 0 HG3 GLN B 373 5.354 9.477 8.280 1.00 0.00 H new ATOM 0 HE21 GLN B 373 4.930 12.154 9.361 1.00 0.00 H new ATOM 0 HE22 GLN B 373 5.644 13.254 8.177 1.00 0.00 H new ATOM 1185 N LEU B 374 3.318 9.670 3.747 1.00 0.00 N ATOM 1186 CA LEU B 374 3.710 9.882 2.362 1.00 0.00 C ATOM 1187 C LEU B 374 2.823 10.889 1.638 1.00 0.00 C ATOM 1188 O LEU B 374 3.283 11.965 1.263 1.00 0.00 O ATOM 1189 CB LEU B 374 3.696 8.553 1.611 1.00 0.00 C ATOM 1190 CG LEU B 374 4.903 7.661 1.881 1.00 0.00 C ATOM 1191 CD1 LEU B 374 6.069 8.067 1.000 1.00 0.00 C ATOM 1192 CD2 LEU B 374 5.296 7.742 3.345 1.00 0.00 C ATOM 0 H LEU B 374 3.127 8.696 3.980 1.00 0.00 H new ATOM 0 HA LEU B 374 4.717 10.299 2.379 1.00 0.00 H new ATOM 0 HB2 LEU B 374 2.791 8.008 1.879 1.00 0.00 H new ATOM 0 HB3 LEU B 374 3.642 8.755 0.541 1.00 0.00 H new ATOM 0 HG LEU B 374 4.635 6.631 1.646 1.00 0.00 H new ATOM 0 HD11 LEU B 374 6.922 7.421 1.205 1.00 0.00 H new ATOM 0 HD12 LEU B 374 5.784 7.971 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU B 374 6.340 9.102 1.209 1.00 0.00 H new ATOM 0 HD21 LEU B 374 6.159 7.101 3.526 1.00 0.00 H new ATOM 0 HD22 LEU B 374 5.549 8.772 3.597 1.00 0.00 H new ATOM 0 HD23 LEU B 374 4.462 7.411 3.964 1.00 0.00 H new ATOM 1204 N TYR B 375 1.569 10.522 1.399 1.00 0.00 N ATOM 1205 CA TYR B 375 0.651 11.389 0.666 1.00 0.00 C ATOM 1206 C TYR B 375 0.145 12.569 1.489 1.00 0.00 C ATOM 1207 O TYR B 375 0.105 13.694 0.992 1.00 0.00 O ATOM 1208 CB TYR B 375 -0.523 10.579 0.123 1.00 0.00 C ATOM 1209 CG TYR B 375 -0.273 10.062 -1.275 1.00 0.00 C ATOM 1210 CD1 TYR B 375 0.910 9.403 -1.582 1.00 0.00 C ATOM 1211 CD2 TYR B 375 -1.207 10.242 -2.287 1.00 0.00 C ATOM 1212 CE1 TYR B 375 1.156 8.937 -2.859 1.00 0.00 C ATOM 1213 CE2 TYR B 375 -0.969 9.777 -3.567 1.00 0.00 C ATOM 1214 CZ TYR B 375 0.214 9.125 -3.846 1.00 0.00 C ATOM 1215 OH TYR B 375 0.455 8.663 -5.120 1.00 0.00 O ATOM 0 H TYR B 375 1.165 9.635 1.700 1.00 0.00 H new ATOM 0 HA TYR B 375 1.221 11.812 -0.161 1.00 0.00 H new ATOM 0 HB2 TYR B 375 -0.718 9.738 0.788 1.00 0.00 H new ATOM 0 HB3 TYR B 375 -1.419 11.200 0.122 1.00 0.00 H new ATOM 0 HD1 TYR B 375 1.650 9.252 -0.810 1.00 0.00 H new ATOM 0 HD2 TYR B 375 -2.133 10.753 -2.071 1.00 0.00 H new ATOM 0 HE1 TYR B 375 2.082 8.428 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR B 375 -1.705 9.923 -4.344 1.00 0.00 H new ATOM 0 HH TYR B 375 -0.309 8.876 -5.695 1.00 0.00 H new ATOM 1225 N SER B 376 -0.255 12.333 2.732 1.00 0.00 N ATOM 1226 CA SER B 376 -0.761 13.421 3.562 1.00 0.00 C ATOM 1227 C SER B 376 0.357 14.374 3.972 1.00 0.00 C ATOM 1228 O SER B 376 0.252 15.583 3.765 1.00 0.00 O ATOM 1229 CB SER B 376 -1.465 12.879 4.808 1.00 0.00 C ATOM 1230 OG SER B 376 -2.556 13.703 5.178 1.00 0.00 O ATOM 0 H SER B 376 -0.241 11.418 3.182 1.00 0.00 H new ATOM 0 HA SER B 376 -1.484 13.975 2.963 1.00 0.00 H new ATOM 0 HB2 SER B 376 -1.819 11.866 4.617 1.00 0.00 H new ATOM 0 HB3 SER B 376 -0.755 12.819 5.633 1.00 0.00 H new ATOM 0 HG SER B 376 -2.989 13.333 5.976 1.00 0.00 H new ATOM 1236 N LEU B 377 1.416 13.836 4.573 1.00 0.00 N ATOM 1237 CA LEU B 377 2.522 14.660 5.024 1.00 0.00 C ATOM 1238 C LEU B 377 3.297 15.177 3.837 1.00 0.00 C ATOM 1239 O LEU B 377 3.660 16.352 3.775 1.00 0.00 O ATOM 1240 CB LEU B 377 3.438 13.856 5.944 1.00 0.00 C ATOM 1241 CG LEU B 377 3.907 14.597 7.193 1.00 0.00 C ATOM 1242 CD1 LEU B 377 4.137 16.068 6.889 1.00 0.00 C ATOM 1243 CD2 LEU B 377 2.899 14.432 8.319 1.00 0.00 C ATOM 0 H LEU B 377 1.526 12.839 4.756 1.00 0.00 H new ATOM 0 HA LEU B 377 2.126 15.508 5.582 1.00 0.00 H new ATOM 0 HB2 LEU B 377 2.915 12.950 6.252 1.00 0.00 H new ATOM 0 HB3 LEU B 377 4.313 13.541 5.376 1.00 0.00 H new ATOM 0 HG LEU B 377 4.854 14.164 7.514 1.00 0.00 H new ATOM 0 HD11 LEU B 377 4.471 16.578 7.792 1.00 0.00 H new ATOM 0 HD12 LEU B 377 4.898 16.165 6.115 1.00 0.00 H new ATOM 0 HD13 LEU B 377 3.207 16.517 6.541 1.00 0.00 H new ATOM 0 HD21 LEU B 377 3.249 14.967 9.202 1.00 0.00 H new ATOM 0 HD22 LEU B 377 1.936 14.837 8.008 1.00 0.00 H new ATOM 0 HD23 LEU B 377 2.788 13.374 8.556 1.00 0.00 H new ATOM 1255 N ILE B 378 3.532 14.293 2.887 1.00 0.00 N ATOM 1256 CA ILE B 378 4.246 14.640 1.685 1.00 0.00 C ATOM 1257 C ILE B 378 3.343 14.379 0.481 1.00 0.00 C ATOM 1258 O ILE B 378 2.153 14.686 0.517 1.00 0.00 O ATOM 1259 CB ILE B 378 5.548 13.816 1.581 1.00 0.00 C ATOM 1260 CG1 ILE B 378 6.077 13.494 2.978 1.00 0.00 C ATOM 1261 CG2 ILE B 378 6.599 14.568 0.783 1.00 0.00 C ATOM 1262 CD1 ILE B 378 6.372 14.726 3.808 1.00 0.00 C ATOM 0 H ILE B 378 3.233 13.319 2.931 1.00 0.00 H new ATOM 0 HA ILE B 378 4.518 15.695 1.709 1.00 0.00 H new ATOM 0 HB ILE B 378 5.326 12.884 1.061 1.00 0.00 H new ATOM 0 HG12 ILE B 378 5.346 12.878 3.502 1.00 0.00 H new ATOM 0 HG13 ILE B 378 6.987 12.900 2.886 1.00 0.00 H new ATOM 0 HG21 ILE B 378 7.508 13.969 0.723 1.00 0.00 H new ATOM 0 HG22 ILE B 378 6.224 14.761 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE B 378 6.821 15.515 1.275 1.00 0.00 H new ATOM 0 HD11 ILE B 378 6.744 14.425 4.787 1.00 0.00 H new ATOM 0 HD12 ILE B 378 7.125 15.332 3.305 1.00 0.00 H new ATOM 0 HD13 ILE B 378 5.459 15.309 3.930 1.00 0.00 H new ATOM 1274 N GLY B 379 3.900 13.824 -0.580 1.00 0.00 N ATOM 1275 CA GLY B 379 3.119 13.545 -1.775 1.00 0.00 C ATOM 1276 C GLY B 379 3.311 14.605 -2.842 1.00 0.00 C ATOM 1277 O GLY B 379 3.107 14.348 -4.027 1.00 0.00 O ATOM 0 H GLY B 379 4.883 13.559 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY B 379 3.405 12.572 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY B 379 2.063 13.484 -1.511 1.00 0.00 H new ATOM 1281 N TYR B 380 3.734 15.787 -2.404 1.00 0.00 N ATOM 1282 CA TYR B 380 3.996 16.909 -3.271 1.00 0.00 C ATOM 1283 C TYR B 380 3.082 17.040 -4.474 1.00 0.00 C ATOM 1284 O TYR B 380 2.124 16.292 -4.666 1.00 0.00 O ATOM 1285 CB TYR B 380 5.419 16.844 -3.756 1.00 0.00 C ATOM 1286 CG TYR B 380 6.093 18.117 -3.488 1.00 0.00 C ATOM 1287 CD1 TYR B 380 6.102 18.611 -2.212 1.00 0.00 C ATOM 1288 CD2 TYR B 380 6.667 18.847 -4.498 1.00 0.00 C ATOM 1289 CE1 TYR B 380 6.668 19.807 -1.929 1.00 0.00 C ATOM 1290 CE2 TYR B 380 7.250 20.052 -4.240 1.00 0.00 C ATOM 1291 CZ TYR B 380 7.251 20.544 -2.944 1.00 0.00 C ATOM 1292 OH TYR B 380 7.828 21.762 -2.669 1.00 0.00 O ATOM 0 H TYR B 380 3.904 15.986 -1.418 1.00 0.00 H new ATOM 0 HA TYR B 380 3.803 17.788 -2.656 1.00 0.00 H new ATOM 0 HB2 TYR B 380 5.946 16.031 -3.257 1.00 0.00 H new ATOM 0 HB3 TYR B 380 5.439 16.629 -4.824 1.00 0.00 H new ATOM 0 HD1 TYR B 380 5.650 18.037 -1.417 1.00 0.00 H new ATOM 0 HD2 TYR B 380 6.657 18.463 -5.507 1.00 0.00 H new ATOM 0 HE1 TYR B 380 6.665 20.184 -0.917 1.00 0.00 H new ATOM 0 HE2 TYR B 380 7.707 20.618 -5.038 1.00 0.00 H new ATOM 0 HH TYR B 380 8.191 22.146 -3.494 1.00 0.00 H new ATOM 1302 N ALA B 381 3.430 18.033 -5.288 1.00 0.00 N ATOM 1303 CA ALA B 381 2.712 18.339 -6.508 1.00 0.00 C ATOM 1304 C ALA B 381 3.652 18.242 -7.704 1.00 0.00 C ATOM 1305 O ALA B 381 3.230 17.945 -8.822 1.00 0.00 O ATOM 1306 CB ALA B 381 2.075 19.719 -6.443 1.00 0.00 C ATOM 0 H ALA B 381 4.224 18.648 -5.113 1.00 0.00 H new ATOM 0 HA ALA B 381 1.911 17.609 -6.624 1.00 0.00 H new ATOM 0 HB1 ALA B 381 1.544 19.919 -7.374 1.00 0.00 H new ATOM 0 HB2 ALA B 381 1.374 19.757 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA B 381 2.851 20.471 -6.299 1.00 0.00 H new ATOM 1312 N SER B 382 4.932 18.491 -7.450 1.00 0.00 N ATOM 1313 CA SER B 382 5.956 18.432 -8.481 1.00 0.00 C ATOM 1314 C SER B 382 7.260 17.873 -7.914 1.00 0.00 C ATOM 1315 O SER B 382 8.330 18.452 -8.109 1.00 0.00 O ATOM 1316 CB SER B 382 6.197 19.824 -9.070 1.00 0.00 C ATOM 1317 OG SER B 382 5.709 20.835 -8.204 1.00 0.00 O ATOM 0 H SER B 382 5.286 18.738 -6.526 1.00 0.00 H new ATOM 0 HA SER B 382 5.607 17.768 -9.272 1.00 0.00 H new ATOM 0 HB2 SER B 382 7.264 19.971 -9.241 1.00 0.00 H new ATOM 0 HB3 SER B 382 5.705 19.902 -10.040 1.00 0.00 H new ATOM 0 HG SER B 382 5.876 21.715 -8.602 1.00 0.00 H new ATOM 1323 N LEU B 383 7.171 16.731 -7.231 1.00 0.00 N ATOM 1324 CA LEU B 383 8.354 16.088 -6.663 1.00 0.00 C ATOM 1325 C LEU B 383 8.582 14.724 -7.311 1.00 0.00 C ATOM 1326 O LEU B 383 9.720 14.316 -7.542 1.00 0.00 O ATOM 1327 CB LEU B 383 8.220 15.942 -5.144 1.00 0.00 C ATOM 1328 CG LEU B 383 7.684 14.595 -4.658 1.00 0.00 C ATOM 1329 CD1 LEU B 383 7.896 14.441 -3.160 1.00 0.00 C ATOM 1330 CD2 LEU B 383 6.215 14.464 -5.010 1.00 0.00 C ATOM 0 H LEU B 383 6.296 16.235 -7.059 1.00 0.00 H new ATOM 0 HA LEU B 383 9.217 16.721 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU B 383 9.198 16.109 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU B 383 7.561 16.729 -4.777 1.00 0.00 H new ATOM 0 HG LEU B 383 8.234 13.798 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU B 383 7.508 13.476 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU B 383 8.961 14.498 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU B 383 7.371 15.239 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU B 383 5.841 13.502 -4.660 1.00 0.00 H new ATOM 0 HD22 LEU B 383 5.653 15.267 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU B 383 6.093 14.529 -6.091 1.00 0.00 H new ATOM 1342 N ARG B 384 7.489 14.031 -7.618 1.00 0.00 N ATOM 1343 CA ARG B 384 7.563 12.722 -8.257 1.00 0.00 C ATOM 1344 C ARG B 384 7.999 11.638 -7.275 1.00 0.00 C ATOM 1345 O ARG B 384 9.153 11.215 -7.286 1.00 0.00 O ATOM 1346 CB ARG B 384 8.534 12.764 -9.439 1.00 0.00 C ATOM 1347 CG ARG B 384 8.482 11.522 -10.315 1.00 0.00 C ATOM 1348 CD ARG B 384 7.683 11.773 -11.582 1.00 0.00 C ATOM 1349 NE ARG B 384 8.171 10.982 -12.707 1.00 0.00 N ATOM 1350 CZ ARG B 384 8.110 9.655 -12.756 1.00 0.00 C ATOM 1351 NH1 ARG B 384 7.595 8.976 -11.740 1.00 0.00 N ATOM 1352 NH2 ARG B 384 8.565 9.006 -13.820 1.00 0.00 N ATOM 0 H ARG B 384 6.540 14.356 -7.434 1.00 0.00 H new ATOM 0 HA ARG B 384 6.563 12.475 -8.613 1.00 0.00 H new ATOM 0 HB2 ARG B 384 8.312 13.639 -10.050 1.00 0.00 H new ATOM 0 HB3 ARG B 384 9.549 12.889 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG B 384 9.495 11.216 -10.576 1.00 0.00 H new ATOM 0 HG3 ARG B 384 8.034 10.699 -9.757 1.00 0.00 H new ATOM 0 HD2 ARG B 384 6.635 11.536 -11.401 1.00 0.00 H new ATOM 0 HD3 ARG B 384 7.731 12.832 -11.836 1.00 0.00 H new ATOM 0 HE ARG B 384 8.582 11.475 -13.500 1.00 0.00 H new ATOM 0 HH11 ARG B 384 7.245 9.472 -10.920 1.00 0.00 H new ATOM 0 HH12 ARG B 384 7.549 7.958 -11.778 1.00 0.00 H new ATOM 0 HH21 ARG B 384 8.963 9.525 -14.603 1.00 0.00 H new ATOM 0 HH22 ARG B 384 8.517 7.988 -13.855 1.00 0.00 H new ATOM 1366 N LEU B 385 7.064 11.177 -6.447 1.00 0.00 N ATOM 1367 CA LEU B 385 7.341 10.124 -5.477 1.00 0.00 C ATOM 1368 C LEU B 385 6.684 8.828 -5.924 1.00 0.00 C ATOM 1369 O LEU B 385 5.480 8.798 -6.182 1.00 0.00 O ATOM 1370 CB LEU B 385 6.814 10.527 -4.100 1.00 0.00 C ATOM 1371 CG LEU B 385 7.091 9.520 -2.988 1.00 0.00 C ATOM 1372 CD1 LEU B 385 7.106 10.215 -1.637 1.00 0.00 C ATOM 1373 CD2 LEU B 385 6.060 8.403 -3.005 1.00 0.00 C ATOM 0 H LEU B 385 6.103 11.519 -6.430 1.00 0.00 H new ATOM 0 HA LEU B 385 8.419 9.975 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU B 385 7.257 11.484 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU B 385 5.737 10.682 -4.170 1.00 0.00 H new ATOM 0 HG LEU B 385 8.072 9.078 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU B 385 7.305 9.484 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU B 385 7.886 10.977 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU B 385 6.138 10.684 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU B 385 6.276 7.696 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU B 385 5.065 8.824 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU B 385 6.098 7.887 -3.964 1.00 0.00 H new ATOM 1385 N HIS B 386 7.468 7.761 -6.054 1.00 0.00 N ATOM 1386 CA HIS B 386 6.904 6.494 -6.519 1.00 0.00 C ATOM 1387 C HIS B 386 7.543 5.257 -5.882 1.00 0.00 C ATOM 1388 O HIS B 386 8.744 5.218 -5.608 1.00 0.00 O ATOM 1389 CB HIS B 386 7.033 6.402 -8.040 1.00 0.00 C ATOM 1390 CG HIS B 386 8.444 6.238 -8.512 1.00 0.00 C ATOM 1391 ND1 HIS B 386 9.223 7.293 -8.942 1.00 0.00 N ATOM 1392 CD2 HIS B 386 9.221 5.134 -8.621 1.00 0.00 C ATOM 1393 CE1 HIS B 386 10.414 6.844 -9.297 1.00 0.00 C ATOM 1394 NE2 HIS B 386 10.438 5.537 -9.110 1.00 0.00 N ATOM 0 H HIS B 386 8.467 7.744 -5.851 1.00 0.00 H new ATOM 0 HA HIS B 386 5.858 6.496 -6.212 1.00 0.00 H new ATOM 0 HB2 HIS B 386 6.439 5.560 -8.397 1.00 0.00 H new ATOM 0 HB3 HIS B 386 6.611 7.302 -8.487 1.00 0.00 H new ATOM 0 HD1 HIS B 386 8.926 8.268 -8.980 1.00 0.00 H new ATOM 0 HD2 HIS B 386 8.935 4.123 -8.369 1.00 0.00 H new ATOM 0 HE1 HIS B 386 11.229 7.444 -9.675 1.00 0.00 H new ATOM 1403 N TYR B 387 6.704 4.238 -5.686 1.00 0.00 N ATOM 1404 CA TYR B 387 7.126 2.958 -5.124 1.00 0.00 C ATOM 1405 C TYR B 387 7.185 1.881 -6.199 1.00 0.00 C ATOM 1406 O TYR B 387 6.400 1.892 -7.148 1.00 0.00 O ATOM 1407 CB TYR B 387 6.155 2.505 -4.044 1.00 0.00 C ATOM 1408 CG TYR B 387 6.335 3.240 -2.755 1.00 0.00 C ATOM 1409 CD1 TYR B 387 6.400 4.618 -2.744 1.00 0.00 C ATOM 1410 CD2 TYR B 387 6.451 2.559 -1.555 1.00 0.00 C ATOM 1411 CE1 TYR B 387 6.576 5.310 -1.574 1.00 0.00 C ATOM 1412 CE2 TYR B 387 6.625 3.239 -0.371 1.00 0.00 C ATOM 1413 CZ TYR B 387 6.688 4.619 -0.382 1.00 0.00 C ATOM 1414 OH TYR B 387 6.863 5.306 0.796 1.00 0.00 O ATOM 0 H TYR B 387 5.711 4.280 -5.914 1.00 0.00 H new ATOM 0 HA TYR B 387 8.119 3.102 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR B 387 5.134 2.647 -4.398 1.00 0.00 H new ATOM 0 HB3 TYR B 387 6.286 1.437 -3.869 1.00 0.00 H new ATOM 0 HD1 TYR B 387 6.311 5.161 -3.673 1.00 0.00 H new ATOM 0 HD2 TYR B 387 6.404 1.480 -1.548 1.00 0.00 H new ATOM 0 HE1 TYR B 387 6.627 6.389 -1.583 1.00 0.00 H new ATOM 0 HE2 TYR B 387 6.712 2.698 0.560 1.00 0.00 H new ATOM 0 HH TYR B 387 7.608 4.912 1.297 1.00 0.00 H new ATOM 1424 N VAL B 388 8.111 0.946 -6.038 1.00 0.00 N ATOM 1425 CA VAL B 388 8.261 -0.144 -6.990 1.00 0.00 C ATOM 1426 C VAL B 388 8.388 -1.484 -6.282 1.00 0.00 C ATOM 1427 O VAL B 388 9.216 -1.654 -5.389 1.00 0.00 O ATOM 1428 CB VAL B 388 9.482 0.052 -7.901 1.00 0.00 C ATOM 1429 CG1 VAL B 388 9.036 0.469 -9.291 1.00 0.00 C ATOM 1430 CG2 VAL B 388 10.440 1.070 -7.303 1.00 0.00 C ATOM 0 H VAL B 388 8.768 0.921 -5.258 1.00 0.00 H new ATOM 0 HA VAL B 388 7.359 -0.139 -7.603 1.00 0.00 H new ATOM 0 HB VAL B 388 10.014 -0.896 -7.983 1.00 0.00 H new ATOM 0 HG11 VAL B 388 9.910 0.605 -9.928 1.00 0.00 H new ATOM 0 HG12 VAL B 388 8.395 -0.304 -9.715 1.00 0.00 H new ATOM 0 HG13 VAL B 388 8.482 1.406 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL B 388 11.298 1.194 -7.964 1.00 0.00 H new ATOM 0 HG22 VAL B 388 9.929 2.026 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL B 388 10.780 0.721 -6.328 1.00 0.00 H new ATOM 1440 N THR B 389 7.568 -2.436 -6.702 1.00 0.00 N ATOM 1441 CA THR B 389 7.592 -3.772 -6.124 1.00 0.00 C ATOM 1442 C THR B 389 8.625 -4.630 -6.841 1.00 0.00 C ATOM 1443 O THR B 389 8.581 -4.780 -8.061 1.00 0.00 O ATOM 1444 CB THR B 389 6.201 -4.441 -6.200 1.00 0.00 C ATOM 1445 OG1 THR B 389 5.409 -4.117 -5.051 1.00 0.00 O ATOM 1446 CG2 THR B 389 6.307 -5.961 -6.293 1.00 0.00 C ATOM 0 H THR B 389 6.877 -2.308 -7.441 1.00 0.00 H new ATOM 0 HA THR B 389 7.865 -3.682 -5.073 1.00 0.00 H new ATOM 0 HB THR B 389 5.725 -4.057 -7.102 1.00 0.00 H new ATOM 0 HG1 THR B 389 4.533 -4.551 -5.124 1.00 0.00 H new ATOM 0 HG21 THR B 389 5.308 -6.393 -6.345 1.00 0.00 H new ATOM 0 HG22 THR B 389 6.866 -6.233 -7.188 1.00 0.00 H new ATOM 0 HG23 THR B 389 6.823 -6.344 -5.413 1.00 0.00 H new ATOM 1454 N VAL B 390 9.563 -5.180 -6.082 1.00 0.00 N ATOM 1455 CA VAL B 390 10.607 -6.005 -6.661 1.00 0.00 C ATOM 1456 C VAL B 390 10.759 -7.338 -5.934 1.00 0.00 C ATOM 1457 O VAL B 390 10.426 -7.467 -4.752 1.00 0.00 O ATOM 1458 CB VAL B 390 11.958 -5.269 -6.653 1.00 0.00 C ATOM 1459 CG1 VAL B 390 11.909 -4.060 -7.575 1.00 0.00 C ATOM 1460 CG2 VAL B 390 12.330 -4.852 -5.238 1.00 0.00 C ATOM 0 H VAL B 390 9.620 -5.069 -5.070 1.00 0.00 H new ATOM 0 HA VAL B 390 10.306 -6.207 -7.689 1.00 0.00 H new ATOM 0 HB VAL B 390 12.726 -5.950 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL B 390 12.872 -3.550 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL B 390 11.689 -4.386 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL B 390 11.131 -3.376 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL B 390 13.288 -4.333 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL B 390 11.563 -4.187 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL B 390 12.406 -5.737 -4.606 1.00 0.00 H new ATOM 1470 N LYS B 391 11.275 -8.319 -6.666 1.00 0.00 N ATOM 1471 CA LYS B 391 11.504 -9.657 -6.140 1.00 0.00 C ATOM 1472 C LYS B 391 10.295 -10.559 -6.359 1.00 0.00 C ATOM 1473 O LYS B 391 10.119 -11.544 -5.642 1.00 0.00 O ATOM 1474 CB LYS B 391 11.852 -9.591 -4.656 1.00 0.00 C ATOM 1475 CG LYS B 391 12.563 -10.830 -4.127 1.00 0.00 C ATOM 1476 CD LYS B 391 13.318 -11.567 -5.226 1.00 0.00 C ATOM 1477 CE LYS B 391 14.262 -12.609 -4.654 1.00 0.00 C ATOM 1478 NZ LYS B 391 14.845 -13.472 -5.719 1.00 0.00 N ATOM 0 H LYS B 391 11.546 -8.207 -7.643 1.00 0.00 H new ATOM 0 HA LYS B 391 12.344 -10.088 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS B 391 12.484 -8.720 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS B 391 10.936 -9.440 -4.085 1.00 0.00 H new ATOM 0 HG2 LYS B 391 13.259 -10.540 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS B 391 11.833 -11.502 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS B 391 12.607 -12.049 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS B 391 13.884 -10.851 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS B 391 15.065 -12.112 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS B 391 13.726 -13.230 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 15.484 -14.171 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 14.081 -13.966 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 15.378 -12.883 -6.390 1.00 0.00 H new ATOM 1492 N LYS B 392 9.481 -10.209 -7.361 1.00 0.00 N ATOM 1493 CA LYS B 392 8.273 -10.961 -7.721 1.00 0.00 C ATOM 1494 C LYS B 392 8.033 -12.157 -6.798 1.00 0.00 C ATOM 1495 O LYS B 392 8.762 -13.147 -6.847 1.00 0.00 O ATOM 1496 CB LYS B 392 8.380 -11.437 -9.169 1.00 0.00 C ATOM 1497 CG LYS B 392 9.034 -10.424 -10.095 1.00 0.00 C ATOM 1498 CD LYS B 392 8.365 -10.404 -11.460 1.00 0.00 C ATOM 1499 CE LYS B 392 6.988 -9.764 -11.393 1.00 0.00 C ATOM 1500 NZ LYS B 392 5.960 -10.584 -12.093 1.00 0.00 N ATOM 0 H LYS B 392 9.642 -9.391 -7.949 1.00 0.00 H new ATOM 0 HA LYS B 392 7.422 -10.289 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS B 392 8.952 -12.365 -9.197 1.00 0.00 H new ATOM 0 HB3 LYS B 392 7.382 -11.667 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS B 392 8.979 -9.432 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS B 392 10.091 -10.664 -10.210 1.00 0.00 H new ATOM 0 HD2 LYS B 392 8.989 -9.855 -12.165 1.00 0.00 H new ATOM 0 HD3 LYS B 392 8.277 -11.422 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS B 392 6.699 -9.632 -10.350 1.00 0.00 H new ATOM 0 HE3 LYS B 392 7.027 -8.771 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 392 5.035 -10.114 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS B 392 6.222 -10.689 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 392 5.904 -11.523 -11.650 1.00 0.00 H new ATOM 1514 N PRO B 393 7.012 -12.068 -5.931 1.00 0.00 N ATOM 1515 CA PRO B 393 6.683 -13.130 -4.981 1.00 0.00 C ATOM 1516 C PRO B 393 6.682 -14.521 -5.601 1.00 0.00 C ATOM 1517 O PRO B 393 6.570 -14.681 -6.816 1.00 0.00 O ATOM 1518 CB PRO B 393 5.269 -12.791 -4.500 1.00 0.00 C ATOM 1519 CG PRO B 393 4.877 -11.507 -5.166 1.00 0.00 C ATOM 1520 CD PRO B 393 6.112 -10.919 -5.792 1.00 0.00 C ATOM 0 HA PRO B 393 7.430 -13.167 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO B 393 4.572 -13.588 -4.758 1.00 0.00 H new ATOM 0 HB3 PRO B 393 5.245 -12.686 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO B 393 4.113 -11.687 -5.923 1.00 0.00 H new ATOM 0 HG3 PRO B 393 4.450 -10.815 -4.440 1.00 0.00 H new ATOM 0 HD2 PRO B 393 5.893 -10.463 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO B 393 6.548 -10.142 -5.164 1.00 0.00 H new ATOM 1528 N THR B 394 6.795 -15.524 -4.737 1.00 0.00 N ATOM 1529 CA THR B 394 6.796 -16.922 -5.159 1.00 0.00 C ATOM 1530 C THR B 394 5.751 -17.716 -4.382 1.00 0.00 C ATOM 1531 O THR B 394 5.189 -17.220 -3.407 1.00 0.00 O ATOM 1532 CB THR B 394 8.177 -17.574 -4.954 1.00 0.00 C ATOM 1533 OG1 THR B 394 8.475 -17.736 -3.560 1.00 0.00 O ATOM 1534 CG2 THR B 394 9.274 -16.734 -5.594 1.00 0.00 C ATOM 0 H THR B 394 6.888 -15.393 -3.730 1.00 0.00 H new ATOM 0 HA THR B 394 6.556 -16.938 -6.222 1.00 0.00 H new ATOM 0 HB THR B 394 8.141 -18.554 -5.430 1.00 0.00 H new ATOM 0 HG1 THR B 394 9.356 -18.153 -3.460 1.00 0.00 H new ATOM 0 HG21 THR B 394 10.239 -17.215 -5.436 1.00 0.00 H new ATOM 0 HG22 THR B 394 9.085 -16.643 -6.664 1.00 0.00 H new ATOM 0 HG23 THR B 394 9.284 -15.743 -5.141 1.00 0.00 H new ATOM 1542 N ALA B 395 5.495 -18.953 -4.807 1.00 0.00 N ATOM 1543 CA ALA B 395 4.518 -19.797 -4.127 1.00 0.00 C ATOM 1544 C ALA B 395 5.205 -20.722 -3.133 1.00 0.00 C ATOM 1545 O ALA B 395 4.642 -21.730 -2.704 1.00 0.00 O ATOM 1546 CB ALA B 395 3.698 -20.603 -5.116 1.00 0.00 C ATOM 0 H ALA B 395 5.947 -19.388 -5.611 1.00 0.00 H new ATOM 0 HA ALA B 395 3.839 -19.141 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA B 395 2.980 -21.220 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA B 395 3.164 -19.926 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA B 395 4.359 -21.243 -5.701 1.00 0.00 H new ATOM 1552 N VAL B 396 6.414 -20.344 -2.750 1.00 0.00 N ATOM 1553 CA VAL B 396 7.193 -21.094 -1.774 1.00 0.00 C ATOM 1554 C VAL B 396 7.837 -20.139 -0.776 1.00 0.00 C ATOM 1555 O VAL B 396 8.651 -20.536 0.059 1.00 0.00 O ATOM 1556 CB VAL B 396 8.285 -21.951 -2.443 1.00 0.00 C ATOM 1557 CG1 VAL B 396 7.665 -22.960 -3.397 1.00 0.00 C ATOM 1558 CG2 VAL B 396 9.290 -21.069 -3.168 1.00 0.00 C ATOM 0 H VAL B 396 6.883 -19.511 -3.105 1.00 0.00 H new ATOM 0 HA VAL B 396 6.508 -21.766 -1.258 1.00 0.00 H new ATOM 0 HB VAL B 396 8.815 -22.500 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL B 396 8.452 -23.555 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL B 396 6.991 -23.615 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL B 396 7.107 -22.433 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL B 396 10.053 -21.693 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL B 396 8.778 -20.489 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL B 396 9.761 -20.392 -2.455 1.00 0.00 H new ATOM 1568 N ASP B 397 7.465 -18.870 -0.895 1.00 0.00 N ATOM 1569 CA ASP B 397 7.979 -17.809 -0.044 1.00 0.00 C ATOM 1570 C ASP B 397 7.576 -16.463 -0.637 1.00 0.00 C ATOM 1571 O ASP B 397 8.420 -15.627 -0.959 1.00 0.00 O ATOM 1572 CB ASP B 397 9.502 -17.902 0.077 1.00 0.00 C ATOM 1573 CG ASP B 397 9.958 -18.062 1.514 1.00 0.00 C ATOM 1574 OD1 ASP B 397 9.098 -18.019 2.419 1.00 0.00 O ATOM 1575 OD2 ASP B 397 11.176 -18.229 1.735 1.00 0.00 O ATOM 0 H ASP B 397 6.793 -18.548 -1.591 1.00 0.00 H new ATOM 0 HA ASP B 397 7.558 -17.912 0.956 1.00 0.00 H new ATOM 0 HB2 ASP B 397 9.860 -18.747 -0.511 1.00 0.00 H new ATOM 0 HB3 ASP B 397 9.953 -17.005 -0.347 1.00 0.00 H new ATOM 1580 N PRO B 398 6.261 -16.258 -0.800 1.00 0.00 N ATOM 1581 CA PRO B 398 5.687 -15.040 -1.365 1.00 0.00 C ATOM 1582 C PRO B 398 6.456 -13.782 -0.980 1.00 0.00 C ATOM 1583 O PRO B 398 6.441 -12.790 -1.707 1.00 0.00 O ATOM 1584 CB PRO B 398 4.262 -15.016 -0.783 1.00 0.00 C ATOM 1585 CG PRO B 398 4.092 -16.301 -0.022 1.00 0.00 C ATOM 1586 CD PRO B 398 5.211 -17.208 -0.448 1.00 0.00 C ATOM 0 HA PRO B 398 5.717 -15.047 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO B 398 4.125 -14.156 -0.128 1.00 0.00 H new ATOM 0 HB3 PRO B 398 3.520 -14.934 -1.577 1.00 0.00 H new ATOM 0 HG2 PRO B 398 4.127 -16.122 1.053 1.00 0.00 H new ATOM 0 HG3 PRO B 398 3.124 -16.753 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO B 398 5.520 -17.878 0.355 1.00 0.00 H new ATOM 0 HD3 PRO B 398 4.928 -17.834 -1.294 1.00 0.00 H new ATOM 1594 N ASN B 399 7.117 -13.828 0.170 1.00 0.00 N ATOM 1595 CA ASN B 399 7.889 -12.698 0.669 1.00 0.00 C ATOM 1596 C ASN B 399 8.434 -11.841 -0.472 1.00 0.00 C ATOM 1597 O ASN B 399 9.185 -12.320 -1.321 1.00 0.00 O ATOM 1598 CB ASN B 399 9.041 -13.181 1.554 1.00 0.00 C ATOM 1599 CG ASN B 399 9.973 -14.124 0.825 1.00 0.00 C ATOM 1600 OD1 ASN B 399 9.939 -15.336 1.035 1.00 0.00 O ATOM 1601 ND2 ASN B 399 10.813 -13.569 -0.037 1.00 0.00 N ATOM 0 H ASN B 399 7.133 -14.645 0.780 1.00 0.00 H new ATOM 0 HA ASN B 399 7.215 -12.081 1.264 1.00 0.00 H new ATOM 0 HB2 ASN B 399 9.606 -12.320 1.912 1.00 0.00 H new ATOM 0 HB3 ASN B 399 8.635 -13.683 2.432 1.00 0.00 H new ATOM 0 HD21 ASN B 399 11.467 -14.152 -0.559 1.00 0.00 H new ATOM 0 HD22 ASN B 399 10.805 -12.559 -0.178 1.00 0.00 H new ATOM 1608 N SER B 400 8.046 -10.570 -0.482 1.00 0.00 N ATOM 1609 CA SER B 400 8.490 -9.639 -1.513 1.00 0.00 C ATOM 1610 C SER B 400 9.014 -8.349 -0.892 1.00 0.00 C ATOM 1611 O SER B 400 8.680 -8.017 0.245 1.00 0.00 O ATOM 1612 CB SER B 400 7.343 -9.324 -2.474 1.00 0.00 C ATOM 1613 OG SER B 400 6.846 -10.505 -3.080 1.00 0.00 O ATOM 0 H SER B 400 7.423 -10.160 0.214 1.00 0.00 H new ATOM 0 HA SER B 400 9.301 -10.111 -2.067 1.00 0.00 H new ATOM 0 HB2 SER B 400 6.540 -8.823 -1.934 1.00 0.00 H new ATOM 0 HB3 SER B 400 7.689 -8.634 -3.244 1.00 0.00 H new ATOM 0 HG SER B 400 6.596 -11.149 -2.385 1.00 0.00 H new ATOM 1619 N ILE B 401 9.838 -7.628 -1.644 1.00 0.00 N ATOM 1620 CA ILE B 401 10.408 -6.380 -1.162 1.00 0.00 C ATOM 1621 C ILE B 401 9.911 -5.197 -1.988 1.00 0.00 C ATOM 1622 O ILE B 401 9.704 -5.312 -3.197 1.00 0.00 O ATOM 1623 CB ILE B 401 11.946 -6.429 -1.194 1.00 0.00 C ATOM 1624 CG1 ILE B 401 12.548 -5.091 -0.755 1.00 0.00 C ATOM 1625 CG2 ILE B 401 12.434 -6.805 -2.579 1.00 0.00 C ATOM 1626 CD1 ILE B 401 13.290 -5.165 0.560 1.00 0.00 C ATOM 0 H ILE B 401 10.125 -7.887 -2.588 1.00 0.00 H new ATOM 0 HA ILE B 401 10.083 -6.247 -0.130 1.00 0.00 H new ATOM 0 HB ILE B 401 12.276 -7.193 -0.490 1.00 0.00 H new ATOM 0 HG12 ILE B 401 13.230 -4.738 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE B 401 11.750 -4.353 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE B 401 13.524 -6.835 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE B 401 12.042 -7.786 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE B 401 12.088 -6.065 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE B 401 13.689 -4.182 0.808 1.00 0.00 H new ATOM 0 HD12 ILE B 401 12.607 -5.488 1.346 1.00 0.00 H new ATOM 0 HD13 ILE B 401 14.110 -5.879 0.476 1.00 0.00 H new ATOM 1638 N VAL B 402 9.723 -4.063 -1.326 1.00 0.00 N ATOM 1639 CA VAL B 402 9.252 -2.851 -1.982 1.00 0.00 C ATOM 1640 C VAL B 402 10.356 -1.807 -2.031 1.00 0.00 C ATOM 1641 O VAL B 402 11.286 -1.838 -1.220 1.00 0.00 O ATOM 1642 CB VAL B 402 8.030 -2.257 -1.249 1.00 0.00 C ATOM 1643 CG1 VAL B 402 7.052 -1.644 -2.237 1.00 0.00 C ATOM 1644 CG2 VAL B 402 7.347 -3.324 -0.410 1.00 0.00 C ATOM 0 H VAL B 402 9.891 -3.958 -0.326 1.00 0.00 H new ATOM 0 HA VAL B 402 8.959 -3.123 -2.996 1.00 0.00 H new ATOM 0 HB VAL B 402 8.379 -1.466 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL B 402 6.199 -1.232 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL B 402 7.548 -0.849 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL B 402 6.706 -2.411 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL B 402 6.487 -2.890 0.101 1.00 0.00 H new ATOM 0 HG22 VAL B 402 7.014 -4.136 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL B 402 8.050 -3.712 0.328 1.00 0.00 H new ATOM 1654 N GLU B 403 10.242 -0.871 -2.966 1.00 0.00 N ATOM 1655 CA GLU B 403 11.222 0.195 -3.101 1.00 0.00 C ATOM 1656 C GLU B 403 10.537 1.548 -3.014 1.00 0.00 C ATOM 1657 O GLU B 403 9.688 1.880 -3.840 1.00 0.00 O ATOM 1658 CB GLU B 403 11.972 0.072 -4.429 1.00 0.00 C ATOM 1659 CG GLU B 403 13.424 -0.346 -4.269 1.00 0.00 C ATOM 1660 CD GLU B 403 14.302 0.782 -3.762 1.00 0.00 C ATOM 1661 OE1 GLU B 403 14.017 1.951 -4.097 1.00 0.00 O ATOM 1662 OE2 GLU B 403 15.273 0.496 -3.031 1.00 0.00 O ATOM 0 H GLU B 403 9.479 -0.830 -3.642 1.00 0.00 H new ATOM 0 HA GLU B 403 11.942 0.107 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU B 403 11.460 -0.655 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU B 403 11.933 1.029 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU B 403 13.482 -1.186 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU B 403 13.806 -0.696 -5.228 1.00 0.00 H new ATOM 1669 N CYS B 404 10.928 2.334 -2.024 1.00 0.00 N ATOM 1670 CA CYS B 404 10.371 3.665 -1.848 1.00 0.00 C ATOM 1671 C CYS B 404 11.370 4.684 -2.360 1.00 0.00 C ATOM 1672 O CYS B 404 12.370 4.976 -1.703 1.00 0.00 O ATOM 1673 CB CYS B 404 10.026 3.937 -0.379 1.00 0.00 C ATOM 1674 SG CYS B 404 10.367 2.556 0.740 1.00 0.00 S ATOM 0 H CYS B 404 11.629 2.073 -1.330 1.00 0.00 H new ATOM 0 HA CYS B 404 9.443 3.740 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS B 404 10.588 4.808 -0.042 1.00 0.00 H new ATOM 0 HB3 CYS B 404 8.969 4.193 -0.309 1.00 0.00 H new ATOM 0 HG CYS B 404 9.604 2.649 1.789 1.00 0.00 H new ATOM 1680 N ARG B 405 11.102 5.214 -3.544 1.00 0.00 N ATOM 1681 CA ARG B 405 11.989 6.189 -4.148 1.00 0.00 C ATOM 1682 C ARG B 405 11.203 7.261 -4.888 1.00 0.00 C ATOM 1683 O ARG B 405 9.988 7.152 -5.057 1.00 0.00 O ATOM 1684 CB ARG B 405 12.967 5.498 -5.103 1.00 0.00 C ATOM 1685 CG ARG B 405 12.297 4.868 -6.313 1.00 0.00 C ATOM 1686 CD ARG B 405 13.266 4.733 -7.475 1.00 0.00 C ATOM 1687 NE ARG B 405 13.372 3.354 -7.942 1.00 0.00 N ATOM 1688 CZ ARG B 405 14.328 2.925 -8.759 1.00 0.00 C ATOM 1689 NH1 ARG B 405 15.257 3.765 -9.192 1.00 0.00 N ATOM 1690 NH2 ARG B 405 14.356 1.655 -9.139 1.00 0.00 N ATOM 0 H ARG B 405 10.279 4.984 -4.102 1.00 0.00 H new ATOM 0 HA ARG B 405 12.553 6.671 -3.350 1.00 0.00 H new ATOM 0 HB2 ARG B 405 13.703 6.226 -5.444 1.00 0.00 H new ATOM 0 HB3 ARG B 405 13.510 4.727 -4.557 1.00 0.00 H new ATOM 0 HG2 ARG B 405 11.908 3.885 -6.045 1.00 0.00 H new ATOM 0 HG3 ARG B 405 11.445 5.476 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG B 405 12.938 5.370 -8.297 1.00 0.00 H new ATOM 0 HD3 ARG B 405 14.250 5.089 -7.170 1.00 0.00 H new ATOM 0 HE ARG B 405 12.673 2.683 -7.623 1.00 0.00 H new ATOM 0 HH11 ARG B 405 15.238 4.742 -8.898 1.00 0.00 H new ATOM 0 HH12 ARG B 405 15.991 3.435 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG B 405 13.643 1.007 -8.804 1.00 0.00 H new ATOM 0 HH22 ARG B 405 15.090 1.326 -9.766 1.00 0.00 H new ATOM 1704 N VAL B 406 11.904 8.305 -5.308 1.00 0.00 N ATOM 1705 CA VAL B 406 11.277 9.408 -6.008 1.00 0.00 C ATOM 1706 C VAL B 406 12.230 10.046 -7.015 1.00 0.00 C ATOM 1707 O VAL B 406 13.400 9.653 -7.128 1.00 0.00 O ATOM 1708 CB VAL B 406 10.793 10.471 -4.999 1.00 0.00 C ATOM 1709 CG1 VAL B 406 10.364 9.801 -3.711 1.00 0.00 C ATOM 1710 CG2 VAL B 406 11.872 11.501 -4.721 1.00 0.00 C ATOM 0 H VAL B 406 12.910 8.408 -5.174 1.00 0.00 H new ATOM 0 HA VAL B 406 10.423 9.011 -6.556 1.00 0.00 H new ATOM 0 HB VAL B 406 9.941 10.991 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL B 406 10.024 10.557 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL B 406 9.551 9.104 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL B 406 11.208 9.259 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL B 406 11.499 12.235 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL B 406 12.750 11.005 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL B 406 12.143 12.004 -5.649 1.00 0.00 H new ATOM 1720 N GLY B 407 11.711 11.039 -7.735 1.00 0.00 N ATOM 1721 CA GLY B 407 12.500 11.742 -8.725 1.00 0.00 C ATOM 1722 C GLY B 407 13.052 10.820 -9.789 1.00 0.00 C ATOM 1723 O GLY B 407 12.332 10.404 -10.697 1.00 0.00 O ATOM 0 H GLY B 407 10.750 11.369 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY B 407 11.885 12.509 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY B 407 13.325 12.255 -8.230 1.00 0.00 H new ATOM 1727 N ASP B 408 14.335 10.501 -9.679 1.00 0.00 N ATOM 1728 CA ASP B 408 14.987 9.622 -10.642 1.00 0.00 C ATOM 1729 C ASP B 408 16.239 8.989 -10.039 1.00 0.00 C ATOM 1730 O ASP B 408 17.128 8.541 -10.762 1.00 0.00 O ATOM 1731 CB ASP B 408 15.333 10.399 -11.919 1.00 0.00 C ATOM 1732 CG ASP B 408 16.746 10.955 -11.915 1.00 0.00 C ATOM 1733 OD1 ASP B 408 16.992 11.949 -11.202 1.00 0.00 O ATOM 1734 OD2 ASP B 408 17.606 10.394 -12.628 1.00 0.00 O ATOM 0 H ASP B 408 14.945 10.837 -8.934 1.00 0.00 H new ATOM 0 HA ASP B 408 14.296 8.819 -10.900 1.00 0.00 H new ATOM 0 HB2 ASP B 408 15.210 9.743 -12.781 1.00 0.00 H new ATOM 0 HB3 ASP B 408 14.626 11.220 -12.040 1.00 0.00 H new ATOM 1739 N GLY B 409 16.299 8.957 -8.713 1.00 0.00 N ATOM 1740 CA GLY B 409 17.444 8.378 -8.040 1.00 0.00 C ATOM 1741 C GLY B 409 17.431 8.628 -6.546 1.00 0.00 C ATOM 1742 O GLY B 409 18.486 8.746 -5.923 1.00 0.00 O ATOM 0 H GLY B 409 15.576 9.322 -8.093 1.00 0.00 H new ATOM 0 HA2 GLY B 409 17.464 7.304 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY B 409 18.358 8.792 -8.466 1.00 0.00 H new ATOM 1746 N THR B 410 16.237 8.699 -5.962 1.00 0.00 N ATOM 1747 CA THR B 410 16.114 8.926 -4.527 1.00 0.00 C ATOM 1748 C THR B 410 15.292 7.827 -3.870 1.00 0.00 C ATOM 1749 O THR B 410 14.092 7.741 -4.082 1.00 0.00 O ATOM 1750 CB THR B 410 15.460 10.286 -4.225 1.00 0.00 C ATOM 1751 OG1 THR B 410 16.245 11.369 -4.741 1.00 0.00 O ATOM 1752 CG2 THR B 410 15.293 10.482 -2.726 1.00 0.00 C ATOM 0 H THR B 410 15.350 8.603 -6.456 1.00 0.00 H new ATOM 0 HA THR B 410 17.124 8.919 -4.118 1.00 0.00 H new ATOM 0 HB THR B 410 14.484 10.285 -4.711 1.00 0.00 H new ATOM 0 HG1 THR B 410 15.804 12.220 -4.536 1.00 0.00 H new ATOM 0 HG21 THR B 410 14.829 11.450 -2.535 1.00 0.00 H new ATOM 0 HG22 THR B 410 14.661 9.691 -2.324 1.00 0.00 H new ATOM 0 HG23 THR B 410 16.270 10.447 -2.243 1.00 0.00 H new ATOM 1760 N VAL B 411 15.935 7.002 -3.050 1.00 0.00 N ATOM 1761 CA VAL B 411 15.239 5.928 -2.348 1.00 0.00 C ATOM 1762 C VAL B 411 15.027 6.311 -0.891 1.00 0.00 C ATOM 1763 O VAL B 411 15.972 6.331 -0.103 1.00 0.00 O ATOM 1764 CB VAL B 411 16.021 4.605 -2.408 1.00 0.00 C ATOM 1765 CG1 VAL B 411 15.256 3.509 -1.681 1.00 0.00 C ATOM 1766 CG2 VAL B 411 16.285 4.209 -3.850 1.00 0.00 C ATOM 0 H VAL B 411 16.935 7.056 -2.855 1.00 0.00 H new ATOM 0 HA VAL B 411 14.279 5.784 -2.845 1.00 0.00 H new ATOM 0 HB VAL B 411 16.981 4.744 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL B 411 15.820 2.577 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL B 411 15.116 3.793 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL B 411 14.283 3.370 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL B 411 16.839 3.271 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL B 411 15.337 4.084 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL B 411 16.869 4.988 -4.340 1.00 0.00 H new ATOM 1776 N LEU B 412 13.787 6.618 -0.537 1.00 0.00 N ATOM 1777 CA LEU B 412 13.470 7.002 0.828 1.00 0.00 C ATOM 1778 C LEU B 412 13.629 5.817 1.769 1.00 0.00 C ATOM 1779 O LEU B 412 13.883 5.991 2.961 1.00 0.00 O ATOM 1780 CB LEU B 412 12.049 7.567 0.917 1.00 0.00 C ATOM 1781 CG LEU B 412 11.821 8.910 0.204 1.00 0.00 C ATOM 1782 CD1 LEU B 412 13.108 9.430 -0.426 1.00 0.00 C ATOM 1783 CD2 LEU B 412 10.732 8.779 -0.850 1.00 0.00 C ATOM 0 H LEU B 412 12.990 6.608 -1.173 1.00 0.00 H new ATOM 0 HA LEU B 412 14.169 7.781 1.132 1.00 0.00 H new ATOM 0 HB2 LEU B 412 11.359 6.833 0.500 1.00 0.00 H new ATOM 0 HB3 LEU B 412 11.790 7.686 1.969 1.00 0.00 H new ATOM 0 HG LEU B 412 11.498 9.632 0.954 1.00 0.00 H new ATOM 0 HD11 LEU B 412 12.912 10.381 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU B 412 13.861 9.573 0.349 1.00 0.00 H new ATOM 0 HD13 LEU B 412 13.473 8.708 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU B 412 10.586 9.740 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU B 412 11.028 8.034 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU B 412 9.801 8.469 -0.375 1.00 0.00 H new ATOM 1795 N GLY B 413 13.481 4.610 1.231 1.00 0.00 N ATOM 1796 CA GLY B 413 13.617 3.423 2.049 1.00 0.00 C ATOM 1797 C GLY B 413 13.282 2.149 1.299 1.00 0.00 C ATOM 1798 O GLY B 413 12.992 2.177 0.102 1.00 0.00 O ATOM 0 H GLY B 413 13.270 4.435 0.248 1.00 0.00 H new ATOM 0 HA2 GLY B 413 14.639 3.361 2.423 1.00 0.00 H new ATOM 0 HA3 GLY B 413 12.964 3.510 2.918 1.00 0.00 H new ATOM 1802 N THR B 414 13.332 1.031 2.010 1.00 0.00 N ATOM 1803 CA THR B 414 13.039 -0.271 1.425 1.00 0.00 C ATOM 1804 C THR B 414 12.371 -1.185 2.446 1.00 0.00 C ATOM 1805 O THR B 414 12.575 -1.028 3.650 1.00 0.00 O ATOM 1806 CB THR B 414 14.321 -0.945 0.902 1.00 0.00 C ATOM 1807 OG1 THR B 414 15.493 -0.236 1.325 1.00 0.00 O ATOM 1808 CG2 THR B 414 14.316 -1.008 -0.619 1.00 0.00 C ATOM 0 H THR B 414 13.575 1.000 3.000 1.00 0.00 H new ATOM 0 HA THR B 414 12.359 -0.107 0.589 1.00 0.00 H new ATOM 0 HB THR B 414 14.342 -1.954 1.315 1.00 0.00 H new ATOM 0 HG1 THR B 414 16.291 -0.688 0.980 1.00 0.00 H new ATOM 0 HG21 THR B 414 15.231 -1.488 -0.966 1.00 0.00 H new ATOM 0 HG22 THR B 414 13.454 -1.583 -0.956 1.00 0.00 H new ATOM 0 HG23 THR B 414 14.260 0.002 -1.025 1.00 0.00 H new ATOM 1816 N GLY B 415 11.566 -2.134 1.973 1.00 0.00 N ATOM 1817 CA GLY B 415 10.889 -3.030 2.894 1.00 0.00 C ATOM 1818 C GLY B 415 10.635 -4.413 2.322 1.00 0.00 C ATOM 1819 O GLY B 415 10.605 -4.603 1.110 1.00 0.00 O ATOM 0 H GLY B 415 11.373 -2.297 0.985 1.00 0.00 H new ATOM 0 HA2 GLY B 415 11.487 -3.125 3.800 1.00 0.00 H new ATOM 0 HA3 GLY B 415 9.937 -2.586 3.185 1.00 0.00 H new ATOM 1823 N VAL B 416 10.451 -5.378 3.217 1.00 0.00 N ATOM 1824 CA VAL B 416 10.191 -6.760 2.825 1.00 0.00 C ATOM 1825 C VAL B 416 9.161 -7.402 3.753 1.00 0.00 C ATOM 1826 O VAL B 416 9.050 -7.032 4.922 1.00 0.00 O ATOM 1827 CB VAL B 416 11.488 -7.600 2.833 1.00 0.00 C ATOM 1828 CG1 VAL B 416 11.787 -8.144 4.224 1.00 0.00 C ATOM 1829 CG2 VAL B 416 11.396 -8.733 1.819 1.00 0.00 C ATOM 0 H VAL B 416 10.477 -5.227 4.225 1.00 0.00 H new ATOM 0 HA VAL B 416 9.795 -6.740 1.810 1.00 0.00 H new ATOM 0 HB VAL B 416 12.313 -6.947 2.549 1.00 0.00 H new ATOM 0 HG11 VAL B 416 12.705 -8.730 4.196 1.00 0.00 H new ATOM 0 HG12 VAL B 416 11.907 -7.315 4.921 1.00 0.00 H new ATOM 0 HG13 VAL B 416 10.962 -8.777 4.552 1.00 0.00 H new ATOM 0 HG21 VAL B 416 12.318 -9.314 1.838 1.00 0.00 H new ATOM 0 HG22 VAL B 416 10.555 -9.379 2.070 1.00 0.00 H new ATOM 0 HG23 VAL B 416 11.249 -8.318 0.822 1.00 0.00 H new ATOM 1839 N GLY B 417 8.415 -8.364 3.224 1.00 0.00 N ATOM 1840 CA GLY B 417 7.405 -9.046 4.014 1.00 0.00 C ATOM 1841 C GLY B 417 6.935 -10.320 3.344 1.00 0.00 C ATOM 1842 O GLY B 417 6.825 -10.365 2.122 1.00 0.00 O ATOM 0 H GLY B 417 8.491 -8.686 2.259 1.00 0.00 H new ATOM 0 HA2 GLY B 417 7.810 -9.281 4.998 1.00 0.00 H new ATOM 0 HA3 GLY B 417 6.555 -8.382 4.169 1.00 0.00 H new ATOM 1846 N ARG B 418 6.669 -11.357 4.142 1.00 0.00 N ATOM 1847 CA ARG B 418 6.226 -12.652 3.613 1.00 0.00 C ATOM 1848 C ARG B 418 4.910 -12.548 2.844 1.00 0.00 C ATOM 1849 O ARG B 418 4.773 -13.116 1.761 1.00 0.00 O ATOM 1850 CB ARG B 418 6.085 -13.663 4.751 1.00 0.00 C ATOM 1851 CG ARG B 418 4.735 -13.611 5.445 1.00 0.00 C ATOM 1852 CD ARG B 418 4.653 -14.621 6.578 1.00 0.00 C ATOM 1853 NE ARG B 418 4.183 -15.924 6.118 1.00 0.00 N ATOM 1854 CZ ARG B 418 2.942 -16.155 5.701 1.00 0.00 C ATOM 1855 NH1 ARG B 418 2.057 -15.169 5.667 1.00 0.00 N ATOM 1856 NH2 ARG B 418 2.587 -17.372 5.316 1.00 0.00 N ATOM 0 H ARG B 418 6.752 -11.326 5.158 1.00 0.00 H new ATOM 0 HA ARG B 418 6.987 -12.990 2.910 1.00 0.00 H new ATOM 0 HB2 ARG B 418 6.243 -14.667 4.356 1.00 0.00 H new ATOM 0 HB3 ARG B 418 6.869 -13.482 5.486 1.00 0.00 H new ATOM 0 HG2 ARG B 418 4.564 -12.608 5.837 1.00 0.00 H new ATOM 0 HG3 ARG B 418 3.945 -13.809 4.721 1.00 0.00 H new ATOM 0 HD2 ARG B 418 5.636 -14.732 7.037 1.00 0.00 H new ATOM 0 HD3 ARG B 418 3.981 -14.246 7.350 1.00 0.00 H new ATOM 0 HE ARG B 418 4.844 -16.701 6.116 1.00 0.00 H new ATOM 0 HH11 ARG B 418 2.328 -14.231 5.961 1.00 0.00 H new ATOM 0 HH12 ARG B 418 1.105 -15.349 5.347 1.00 0.00 H new ATOM 0 HH21 ARG B 418 3.266 -18.133 5.339 1.00 0.00 H new ATOM 0 HH22 ARG B 418 1.635 -17.548 4.996 1.00 0.00 H new ATOM 1870 N ASN B 419 3.954 -11.808 3.389 1.00 0.00 N ATOM 1871 CA ASN B 419 2.669 -11.623 2.727 1.00 0.00 C ATOM 1872 C ASN B 419 2.653 -10.275 2.030 1.00 0.00 C ATOM 1873 O ASN B 419 1.616 -9.629 1.941 1.00 0.00 O ATOM 1874 CB ASN B 419 1.514 -11.710 3.727 1.00 0.00 C ATOM 1875 CG ASN B 419 1.955 -11.463 5.157 1.00 0.00 C ATOM 1876 OD1 ASN B 419 2.519 -12.344 5.806 1.00 0.00 O ATOM 1877 ND2 ASN B 419 1.695 -10.260 5.657 1.00 0.00 N ATOM 0 H ASN B 419 4.043 -11.328 4.284 1.00 0.00 H new ATOM 0 HA ASN B 419 2.537 -12.419 1.994 1.00 0.00 H new ATOM 0 HB2 ASN B 419 0.750 -10.982 3.456 1.00 0.00 H new ATOM 0 HB3 ASN B 419 1.054 -12.696 3.659 1.00 0.00 H new ATOM 0 HD21 ASN B 419 1.965 -10.037 6.615 1.00 0.00 H new ATOM 0 HD22 ASN B 419 1.225 -9.560 5.083 1.00 0.00 H new ATOM 1884 N ILE B 420 3.829 -9.897 1.530 1.00 0.00 N ATOM 1885 CA ILE B 420 4.063 -8.643 0.801 1.00 0.00 C ATOM 1886 C ILE B 420 3.559 -7.381 1.515 1.00 0.00 C ATOM 1887 O ILE B 420 4.279 -6.391 1.566 1.00 0.00 O ATOM 1888 CB ILE B 420 3.513 -8.694 -0.631 1.00 0.00 C ATOM 1889 CG1 ILE B 420 2.043 -8.271 -0.690 1.00 0.00 C ATOM 1890 CG2 ILE B 420 3.702 -10.089 -1.215 1.00 0.00 C ATOM 1891 CD1 ILE B 420 1.850 -6.772 -0.720 1.00 0.00 C ATOM 0 H ILE B 420 4.670 -10.467 1.621 1.00 0.00 H new ATOM 0 HA ILE B 420 5.149 -8.560 0.765 1.00 0.00 H new ATOM 0 HB ILE B 420 4.076 -7.981 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE B 420 1.583 -8.707 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE B 420 1.520 -8.680 0.175 1.00 0.00 H new ATOM 0 HG21 ILE B 420 3.308 -10.114 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE B 420 4.763 -10.336 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE B 420 3.169 -10.816 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE B 420 0.785 -6.543 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE B 420 2.281 -6.332 0.179 1.00 0.00 H new ATOM 0 HD13 ILE B 420 2.344 -6.359 -1.599 1.00 0.00 H new ATOM 1903 N LYS B 421 2.339 -7.388 2.042 1.00 0.00 N ATOM 1904 CA LYS B 421 1.818 -6.205 2.725 1.00 0.00 C ATOM 1905 C LYS B 421 2.888 -5.623 3.633 1.00 0.00 C ATOM 1906 O LYS B 421 3.309 -4.480 3.455 1.00 0.00 O ATOM 1907 CB LYS B 421 0.557 -6.526 3.508 1.00 0.00 C ATOM 1908 CG LYS B 421 -0.676 -5.967 2.835 1.00 0.00 C ATOM 1909 CD LYS B 421 -0.924 -6.654 1.504 1.00 0.00 C ATOM 1910 CE LYS B 421 -2.147 -7.553 1.561 1.00 0.00 C ATOM 1911 NZ LYS B 421 -1.924 -8.844 0.852 1.00 0.00 N ATOM 0 H LYS B 421 1.701 -8.183 2.012 1.00 0.00 H new ATOM 0 HA LYS B 421 1.550 -5.463 1.973 1.00 0.00 H new ATOM 0 HB2 LYS B 421 0.457 -7.607 3.611 1.00 0.00 H new ATOM 0 HB3 LYS B 421 0.639 -6.116 4.515 1.00 0.00 H new ATOM 0 HG2 LYS B 421 -1.541 -6.100 3.484 1.00 0.00 H new ATOM 0 HG3 LYS B 421 -0.556 -4.895 2.679 1.00 0.00 H new ATOM 0 HD2 LYS B 421 -1.059 -5.903 0.725 1.00 0.00 H new ATOM 0 HD3 LYS B 421 -0.050 -7.244 1.230 1.00 0.00 H new ATOM 0 HE2 LYS B 421 -2.404 -7.751 2.602 1.00 0.00 H new ATOM 0 HE3 LYS B 421 -2.997 -7.037 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 421 -2.783 -9.427 0.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 421 -1.704 -8.658 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 421 -1.129 -9.349 1.293 1.00 0.00 H new ATOM 1925 N ILE B 422 3.370 -6.430 4.578 1.00 0.00 N ATOM 1926 CA ILE B 422 4.448 -5.990 5.471 1.00 0.00 C ATOM 1927 C ILE B 422 5.529 -5.296 4.659 1.00 0.00 C ATOM 1928 O ILE B 422 6.304 -4.511 5.187 1.00 0.00 O ATOM 1929 CB ILE B 422 5.126 -7.146 6.235 1.00 0.00 C ATOM 1930 CG1 ILE B 422 4.308 -8.429 6.139 1.00 0.00 C ATOM 1931 CG2 ILE B 422 5.366 -6.754 7.682 1.00 0.00 C ATOM 1932 CD1 ILE B 422 4.443 -9.105 4.795 1.00 0.00 C ATOM 0 H ILE B 422 3.038 -7.380 4.746 1.00 0.00 H new ATOM 0 HA ILE B 422 3.981 -5.325 6.198 1.00 0.00 H new ATOM 0 HB ILE B 422 6.092 -7.342 5.769 1.00 0.00 H new ATOM 0 HG12 ILE B 422 4.626 -9.118 6.922 1.00 0.00 H new ATOM 0 HG13 ILE B 422 3.258 -8.201 6.323 1.00 0.00 H new ATOM 0 HG21 ILE B 422 5.845 -7.580 8.208 1.00 0.00 H new ATOM 0 HG22 ILE B 422 6.012 -5.877 7.719 1.00 0.00 H new ATOM 0 HG23 ILE B 422 4.414 -6.523 8.159 1.00 0.00 H new ATOM 0 HD11 ILE B 422 3.840 -10.013 4.782 1.00 0.00 H new ATOM 0 HD12 ILE B 422 4.099 -8.430 4.012 1.00 0.00 H new ATOM 0 HD13 ILE B 422 5.488 -9.361 4.620 1.00 0.00 H new ATOM 1944 N ALA B 423 5.531 -5.567 3.358 1.00 0.00 N ATOM 1945 CA ALA B 423 6.458 -4.952 2.442 1.00 0.00 C ATOM 1946 C ALA B 423 5.859 -3.641 1.942 1.00 0.00 C ATOM 1947 O ALA B 423 6.511 -2.599 1.986 1.00 0.00 O ATOM 1948 CB ALA B 423 6.785 -5.891 1.295 1.00 0.00 C ATOM 0 H ALA B 423 4.885 -6.222 2.918 1.00 0.00 H new ATOM 0 HA ALA B 423 7.396 -4.739 2.954 1.00 0.00 H new ATOM 0 HB1 ALA B 423 7.486 -5.406 0.616 1.00 0.00 H new ATOM 0 HB2 ALA B 423 7.233 -6.804 1.688 1.00 0.00 H new ATOM 0 HB3 ALA B 423 5.871 -6.139 0.756 1.00 0.00 H new ATOM 1954 N GLY B 424 4.599 -3.687 1.492 1.00 0.00 N ATOM 1955 CA GLY B 424 3.951 -2.474 1.030 1.00 0.00 C ATOM 1956 C GLY B 424 3.911 -1.434 2.130 1.00 0.00 C ATOM 1957 O GLY B 424 4.237 -0.263 1.919 1.00 0.00 O ATOM 0 H GLY B 424 4.029 -4.531 1.442 1.00 0.00 H new ATOM 0 HA2 GLY B 424 4.485 -2.077 0.167 1.00 0.00 H new ATOM 0 HA3 GLY B 424 2.937 -2.701 0.700 1.00 0.00 H new ATOM 1961 N ILE B 425 3.547 -1.887 3.324 1.00 0.00 N ATOM 1962 CA ILE B 425 3.503 -1.015 4.485 1.00 0.00 C ATOM 1963 C ILE B 425 4.922 -0.591 4.836 1.00 0.00 C ATOM 1964 O ILE B 425 5.279 0.583 4.733 1.00 0.00 O ATOM 1965 CB ILE B 425 2.850 -1.715 5.693 1.00 0.00 C ATOM 1966 CG1 ILE B 425 1.335 -1.800 5.499 1.00 0.00 C ATOM 1967 CG2 ILE B 425 3.182 -0.981 6.984 1.00 0.00 C ATOM 1968 CD1 ILE B 425 0.917 -2.835 4.477 1.00 0.00 C ATOM 0 H ILE B 425 3.279 -2.853 3.511 1.00 0.00 H new ATOM 0 HA ILE B 425 2.897 -0.142 4.243 1.00 0.00 H new ATOM 0 HB ILE B 425 3.250 -2.726 5.764 1.00 0.00 H new ATOM 0 HG12 ILE B 425 0.866 -2.034 6.455 1.00 0.00 H new ATOM 0 HG13 ILE B 425 0.960 -0.824 5.191 1.00 0.00 H new ATOM 0 HG21 ILE B 425 2.711 -1.492 7.824 1.00 0.00 H new ATOM 0 HG22 ILE B 425 4.262 -0.967 7.127 1.00 0.00 H new ATOM 0 HG23 ILE B 425 2.810 0.042 6.927 1.00 0.00 H new ATOM 0 HD11 ILE B 425 -0.169 -2.842 4.390 1.00 0.00 H new ATOM 0 HD12 ILE B 425 1.357 -2.590 3.510 1.00 0.00 H new ATOM 0 HD13 ILE B 425 1.262 -3.819 4.794 1.00 0.00 H new ATOM 1980 N ARG B 426 5.732 -1.569 5.230 1.00 0.00 N ATOM 1981 CA ARG B 426 7.123 -1.322 5.579 1.00 0.00 C ATOM 1982 C ARG B 426 7.755 -0.324 4.614 1.00 0.00 C ATOM 1983 O ARG B 426 8.693 0.387 4.971 1.00 0.00 O ATOM 1984 CB ARG B 426 7.905 -2.634 5.548 1.00 0.00 C ATOM 1985 CG ARG B 426 9.401 -2.456 5.705 1.00 0.00 C ATOM 1986 CD ARG B 426 9.795 -2.363 7.166 1.00 0.00 C ATOM 1987 NE ARG B 426 8.928 -1.452 7.912 1.00 0.00 N ATOM 1988 CZ ARG B 426 7.859 -1.841 8.604 1.00 0.00 C ATOM 1989 NH1 ARG B 426 7.509 -3.122 8.642 1.00 0.00 N ATOM 1990 NH2 ARG B 426 7.132 -0.944 9.257 1.00 0.00 N ATOM 0 H ARG B 426 5.445 -2.544 5.315 1.00 0.00 H new ATOM 0 HA ARG B 426 7.156 -0.901 6.584 1.00 0.00 H new ATOM 0 HB2 ARG B 426 7.540 -3.283 6.344 1.00 0.00 H new ATOM 0 HB3 ARG B 426 7.706 -3.143 4.605 1.00 0.00 H new ATOM 0 HG2 ARG B 426 9.920 -3.294 5.239 1.00 0.00 H new ATOM 0 HG3 ARG B 426 9.719 -1.554 5.182 1.00 0.00 H new ATOM 0 HD2 ARG B 426 9.752 -3.355 7.617 1.00 0.00 H new ATOM 0 HD3 ARG B 426 10.828 -2.023 7.242 1.00 0.00 H new ATOM 0 HE ARG B 426 9.156 -0.458 7.902 1.00 0.00 H new ATOM 0 HH11 ARG B 426 8.061 -3.817 8.139 1.00 0.00 H new ATOM 0 HH12 ARG B 426 6.689 -3.411 9.175 1.00 0.00 H new ATOM 0 HH21 ARG B 426 7.392 0.042 9.228 1.00 0.00 H new ATOM 0 HH22 ARG B 426 6.313 -1.240 9.788 1.00 0.00 H new ATOM 2004 N ALA B 427 7.226 -0.269 3.393 1.00 0.00 N ATOM 2005 CA ALA B 427 7.731 0.650 2.385 1.00 0.00 C ATOM 2006 C ALA B 427 7.299 2.078 2.699 1.00 0.00 C ATOM 2007 O ALA B 427 8.134 2.978 2.819 1.00 0.00 O ATOM 2008 CB ALA B 427 7.256 0.247 0.998 1.00 0.00 C ATOM 0 H ALA B 427 6.448 -0.851 3.082 1.00 0.00 H new ATOM 0 HA ALA B 427 8.820 0.604 2.400 1.00 0.00 H new ATOM 0 HB1 ALA B 427 7.646 0.949 0.261 1.00 0.00 H new ATOM 0 HB2 ALA B 427 7.614 -0.757 0.768 1.00 0.00 H new ATOM 0 HB3 ALA B 427 6.166 0.259 0.969 1.00 0.00 H new ATOM 2014 N ALA B 428 5.989 2.280 2.848 1.00 0.00 N ATOM 2015 CA ALA B 428 5.462 3.602 3.163 1.00 0.00 C ATOM 2016 C ALA B 428 6.201 4.192 4.356 1.00 0.00 C ATOM 2017 O ALA B 428 6.708 5.316 4.298 1.00 0.00 O ATOM 2018 CB ALA B 428 3.967 3.545 3.437 1.00 0.00 C ATOM 0 H ALA B 428 5.282 1.551 2.756 1.00 0.00 H new ATOM 0 HA ALA B 428 5.619 4.246 2.298 1.00 0.00 H new ATOM 0 HB1 ALA B 428 3.601 4.545 3.669 1.00 0.00 H new ATOM 0 HB2 ALA B 428 3.450 3.165 2.556 1.00 0.00 H new ATOM 0 HB3 ALA B 428 3.777 2.884 4.283 1.00 0.00 H new ATOM 2024 N GLU B 429 6.296 3.413 5.427 1.00 0.00 N ATOM 2025 CA GLU B 429 7.014 3.854 6.609 1.00 0.00 C ATOM 2026 C GLU B 429 8.449 4.160 6.217 1.00 0.00 C ATOM 2027 O GLU B 429 8.879 5.299 6.267 1.00 0.00 O ATOM 2028 CB GLU B 429 6.974 2.782 7.700 1.00 0.00 C ATOM 2029 CG GLU B 429 6.309 3.249 8.983 1.00 0.00 C ATOM 2030 CD GLU B 429 5.640 2.119 9.740 1.00 0.00 C ATOM 2031 OE1 GLU B 429 4.497 1.762 9.383 1.00 0.00 O ATOM 2032 OE2 GLU B 429 6.256 1.591 10.688 1.00 0.00 O ATOM 0 H GLU B 429 5.888 2.481 5.498 1.00 0.00 H new ATOM 0 HA GLU B 429 6.541 4.750 7.010 1.00 0.00 H new ATOM 0 HB2 GLU B 429 6.442 1.909 7.321 1.00 0.00 H new ATOM 0 HB3 GLU B 429 7.992 2.463 7.923 1.00 0.00 H new ATOM 0 HG2 GLU B 429 7.055 3.719 9.624 1.00 0.00 H new ATOM 0 HG3 GLU B 429 5.567 4.011 8.746 1.00 0.00 H new ATOM 2039 N ASN B 430 9.177 3.122 5.827 1.00 0.00 N ATOM 2040 CA ASN B 430 10.573 3.267 5.410 1.00 0.00 C ATOM 2041 C ASN B 430 10.858 4.687 4.904 1.00 0.00 C ATOM 2042 O ASN B 430 11.903 5.263 5.210 1.00 0.00 O ATOM 2043 CB ASN B 430 10.907 2.246 4.323 1.00 0.00 C ATOM 2044 CG ASN B 430 11.943 1.236 4.777 1.00 0.00 C ATOM 2045 OD1 ASN B 430 13.126 1.353 4.458 1.00 0.00 O ATOM 2046 ND2 ASN B 430 11.500 0.234 5.528 1.00 0.00 N ATOM 0 H ASN B 430 8.826 2.165 5.789 1.00 0.00 H new ATOM 0 HA ASN B 430 11.204 3.085 6.280 1.00 0.00 H new ATOM 0 HB2 ASN B 430 9.998 1.722 4.029 1.00 0.00 H new ATOM 0 HB3 ASN B 430 11.275 2.767 3.439 1.00 0.00 H new ATOM 0 HD21 ASN B 430 12.149 -0.477 5.864 1.00 0.00 H new ATOM 0 HD22 ASN B 430 10.511 0.176 5.769 1.00 0.00 H new ATOM 2053 N ALA B 431 9.929 5.245 4.115 1.00 0.00 N ATOM 2054 CA ALA B 431 10.103 6.590 3.562 1.00 0.00 C ATOM 2055 C ALA B 431 9.804 7.684 4.592 1.00 0.00 C ATOM 2056 O ALA B 431 10.495 8.703 4.644 1.00 0.00 O ATOM 2057 CB ALA B 431 9.240 6.784 2.325 1.00 0.00 C ATOM 0 H ALA B 431 9.057 4.788 3.849 1.00 0.00 H new ATOM 0 HA ALA B 431 11.152 6.681 3.281 1.00 0.00 H new ATOM 0 HB1 ALA B 431 9.387 7.790 1.933 1.00 0.00 H new ATOM 0 HB2 ALA B 431 9.522 6.054 1.566 1.00 0.00 H new ATOM 0 HB3 ALA B 431 8.191 6.647 2.588 1.00 0.00 H new ATOM 2063 N LEU B 432 8.777 7.467 5.407 1.00 0.00 N ATOM 2064 CA LEU B 432 8.384 8.429 6.441 1.00 0.00 C ATOM 2065 C LEU B 432 9.290 8.339 7.664 1.00 0.00 C ATOM 2066 O LEU B 432 9.023 8.947 8.700 1.00 0.00 O ATOM 2067 CB LEU B 432 6.928 8.170 6.842 1.00 0.00 C ATOM 2068 CG LEU B 432 6.677 7.610 8.257 1.00 0.00 C ATOM 2069 CD1 LEU B 432 5.243 7.161 8.364 1.00 0.00 C ATOM 2070 CD2 LEU B 432 7.587 6.437 8.602 1.00 0.00 C ATOM 0 H LEU B 432 8.196 6.629 5.374 1.00 0.00 H new ATOM 0 HA LEU B 432 8.484 9.435 6.033 1.00 0.00 H new ATOM 0 HB2 LEU B 432 6.379 9.107 6.747 1.00 0.00 H new ATOM 0 HB3 LEU B 432 6.498 7.474 6.122 1.00 0.00 H new ATOM 0 HG LEU B 432 6.896 8.412 8.962 1.00 0.00 H new ATOM 0 HD11 LEU B 432 5.060 6.764 9.362 1.00 0.00 H new ATOM 0 HD12 LEU B 432 4.582 8.009 8.183 1.00 0.00 H new ATOM 0 HD13 LEU B 432 5.049 6.385 7.624 1.00 0.00 H new ATOM 0 HD21 LEU B 432 7.363 6.087 9.610 1.00 0.00 H new ATOM 0 HD22 LEU B 432 7.422 5.627 7.891 1.00 0.00 H new ATOM 0 HD23 LEU B 432 8.628 6.757 8.552 1.00 0.00 H new ATOM 2082 N ARG B 433 10.350 7.567 7.532 1.00 0.00 N ATOM 2083 CA ARG B 433 11.302 7.370 8.614 1.00 0.00 C ATOM 2084 C ARG B 433 12.388 8.440 8.605 1.00 0.00 C ATOM 2085 O ARG B 433 13.228 8.489 9.503 1.00 0.00 O ATOM 2086 CB ARG B 433 11.936 5.987 8.503 1.00 0.00 C ATOM 2087 CG ARG B 433 11.963 5.234 9.818 1.00 0.00 C ATOM 2088 CD ARG B 433 11.913 3.731 9.600 1.00 0.00 C ATOM 2089 NE ARG B 433 11.987 2.995 10.860 1.00 0.00 N ATOM 2090 CZ ARG B 433 12.685 1.871 11.031 1.00 0.00 C ATOM 2091 NH1 ARG B 433 13.381 1.345 10.030 1.00 0.00 N ATOM 2092 NH2 ARG B 433 12.685 1.269 12.213 1.00 0.00 N ATOM 0 H ARG B 433 10.578 7.059 6.677 1.00 0.00 H new ATOM 0 HA ARG B 433 10.760 7.449 9.556 1.00 0.00 H new ATOM 0 HB2 ARG B 433 11.386 5.400 7.767 1.00 0.00 H new ATOM 0 HB3 ARG B 433 12.955 6.091 8.130 1.00 0.00 H new ATOM 0 HG2 ARG B 433 12.868 5.493 10.368 1.00 0.00 H new ATOM 0 HG3 ARG B 433 11.117 5.542 10.432 1.00 0.00 H new ATOM 0 HD2 ARG B 433 10.991 3.470 9.081 1.00 0.00 H new ATOM 0 HD3 ARG B 433 12.738 3.430 8.955 1.00 0.00 H new ATOM 0 HE ARG B 433 11.472 3.364 11.660 1.00 0.00 H new ATOM 0 HH11 ARG B 433 13.386 1.801 9.118 1.00 0.00 H new ATOM 0 HH12 ARG B 433 13.911 0.485 10.174 1.00 0.00 H new ATOM 0 HH21 ARG B 433 12.153 1.666 12.987 1.00 0.00 H new ATOM 0 HH22 ARG B 433 13.217 0.409 12.348 1.00 0.00 H new ATOM 2106 N ASP B 434 12.371 9.292 7.589 1.00 0.00 N ATOM 2107 CA ASP B 434 13.366 10.355 7.476 1.00 0.00 C ATOM 2108 C ASP B 434 12.759 11.716 7.790 1.00 0.00 C ATOM 2109 O ASP B 434 12.246 12.398 6.903 1.00 0.00 O ATOM 2110 CB ASP B 434 13.982 10.371 6.078 1.00 0.00 C ATOM 2111 CG ASP B 434 15.049 11.439 5.931 1.00 0.00 C ATOM 2112 OD1 ASP B 434 15.066 12.378 6.754 1.00 0.00 O ATOM 2113 OD2 ASP B 434 15.867 11.335 4.993 1.00 0.00 O ATOM 0 H ASP B 434 11.685 9.270 6.835 1.00 0.00 H new ATOM 0 HA ASP B 434 14.149 10.151 8.207 1.00 0.00 H new ATOM 0 HB2 ASP B 434 14.417 9.395 5.864 1.00 0.00 H new ATOM 0 HB3 ASP B 434 13.198 10.540 5.340 1.00 0.00 H new ATOM 2118 N LYS B 435 12.821 12.104 9.057 1.00 0.00 N ATOM 2119 CA LYS B 435 12.279 13.385 9.492 1.00 0.00 C ATOM 2120 C LYS B 435 12.811 14.526 8.629 1.00 0.00 C ATOM 2121 O LYS B 435 12.040 15.316 8.086 1.00 0.00 O ATOM 2122 CB LYS B 435 12.622 13.636 10.963 1.00 0.00 C ATOM 2123 CG LYS B 435 14.010 14.220 11.173 1.00 0.00 C ATOM 2124 CD LYS B 435 14.292 14.476 12.643 1.00 0.00 C ATOM 2125 CE LYS B 435 14.647 13.194 13.376 1.00 0.00 C ATOM 2126 NZ LYS B 435 13.771 12.966 14.557 1.00 0.00 N ATOM 0 H LYS B 435 13.242 11.549 9.803 1.00 0.00 H new ATOM 0 HA LYS B 435 11.195 13.348 9.381 1.00 0.00 H new ATOM 0 HB2 LYS B 435 11.883 14.315 11.389 1.00 0.00 H new ATOM 0 HB3 LYS B 435 12.545 12.697 11.511 1.00 0.00 H new ATOM 0 HG2 LYS B 435 14.758 13.536 10.772 1.00 0.00 H new ATOM 0 HG3 LYS B 435 14.101 15.153 10.617 1.00 0.00 H new ATOM 0 HD2 LYS B 435 15.111 15.189 12.738 1.00 0.00 H new ATOM 0 HD3 LYS B 435 13.418 14.931 13.108 1.00 0.00 H new ATOM 0 HE2 LYS B 435 14.561 12.350 12.692 1.00 0.00 H new ATOM 0 HE3 LYS B 435 15.687 13.237 13.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 435 14.047 12.081 15.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 435 13.872 13.759 15.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 435 12.781 12.899 14.247 1.00 0.00 H new ATOM 2140 N LYS B 436 14.134 14.610 8.511 1.00 0.00 N ATOM 2141 CA LYS B 436 14.766 15.658 7.718 1.00 0.00 C ATOM 2142 C LYS B 436 14.219 15.671 6.297 1.00 0.00 C ATOM 2143 O LYS B 436 13.934 16.732 5.741 1.00 0.00 O ATOM 2144 CB LYS B 436 16.282 15.464 7.688 1.00 0.00 C ATOM 2145 CG LYS B 436 16.933 15.533 9.060 1.00 0.00 C ATOM 2146 CD LYS B 436 18.025 16.589 9.108 1.00 0.00 C ATOM 2147 CE LYS B 436 17.464 17.955 9.466 1.00 0.00 C ATOM 2148 NZ LYS B 436 17.645 18.936 8.361 1.00 0.00 N ATOM 0 H LYS B 436 14.788 13.965 8.955 1.00 0.00 H new ATOM 0 HA LYS B 436 14.538 16.616 8.186 1.00 0.00 H new ATOM 0 HB2 LYS B 436 16.507 14.498 7.237 1.00 0.00 H new ATOM 0 HB3 LYS B 436 16.725 16.226 7.047 1.00 0.00 H new ATOM 0 HG2 LYS B 436 16.176 15.757 9.812 1.00 0.00 H new ATOM 0 HG3 LYS B 436 17.355 14.560 9.313 1.00 0.00 H new ATOM 0 HD2 LYS B 436 18.779 16.301 9.840 1.00 0.00 H new ATOM 0 HD3 LYS B 436 18.524 16.642 8.140 1.00 0.00 H new ATOM 0 HE2 LYS B 436 16.403 17.862 9.699 1.00 0.00 H new ATOM 0 HE3 LYS B 436 17.957 18.326 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 436 17.249 19.855 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 436 18.659 19.044 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 436 17.154 18.595 7.510 1.00 0.00 H new ATOM 2162 N MET B 437 14.076 14.487 5.712 1.00 0.00 N ATOM 2163 CA MET B 437 13.561 14.367 4.354 1.00 0.00 C ATOM 2164 C MET B 437 12.081 14.723 4.302 1.00 0.00 C ATOM 2165 O MET B 437 11.673 15.605 3.548 1.00 0.00 O ATOM 2166 CB MET B 437 13.778 12.950 3.819 1.00 0.00 C ATOM 2167 CG MET B 437 13.221 12.741 2.420 1.00 0.00 C ATOM 2168 SD MET B 437 11.432 12.517 2.416 1.00 0.00 S ATOM 2169 CE MET B 437 11.313 10.812 2.944 1.00 0.00 C ATOM 0 H MET B 437 14.309 13.599 6.156 1.00 0.00 H new ATOM 0 HA MET B 437 14.109 15.068 3.724 1.00 0.00 H new ATOM 0 HB2 MET B 437 14.846 12.731 3.813 1.00 0.00 H new ATOM 0 HB3 MET B 437 13.310 12.237 4.498 1.00 0.00 H new ATOM 0 HG2 MET B 437 13.478 13.599 1.798 1.00 0.00 H new ATOM 0 HG3 MET B 437 13.694 11.868 1.971 1.00 0.00 H new ATOM 0 HE1 MET B 437 10.395 10.374 2.554 1.00 0.00 H new ATOM 0 HE2 MET B 437 12.170 10.254 2.567 1.00 0.00 H new ATOM 0 HE3 MET B 437 11.302 10.768 4.033 1.00 0.00 H new ATOM 2179 N LEU B 438 11.280 14.045 5.117 1.00 0.00 N ATOM 2180 CA LEU B 438 9.846 14.305 5.165 1.00 0.00 C ATOM 2181 C LEU B 438 9.585 15.784 5.391 1.00 0.00 C ATOM 2182 O LEU B 438 9.017 16.470 4.541 1.00 0.00 O ATOM 2183 CB LEU B 438 9.203 13.504 6.290 1.00 0.00 C ATOM 2184 CG LEU B 438 9.276 11.986 6.137 1.00 0.00 C ATOM 2185 CD1 LEU B 438 8.899 11.311 7.445 1.00 0.00 C ATOM 2186 CD2 LEU B 438 8.371 11.520 5.007 1.00 0.00 C ATOM 0 H LEU B 438 11.599 13.313 5.752 1.00 0.00 H new ATOM 0 HA LEU B 438 9.411 14.004 4.212 1.00 0.00 H new ATOM 0 HB2 LEU B 438 9.681 13.781 7.230 1.00 0.00 H new ATOM 0 HB3 LEU B 438 8.155 13.795 6.367 1.00 0.00 H new ATOM 0 HG LEU B 438 10.299 11.707 5.887 1.00 0.00 H new ATOM 0 HD11 LEU B 438 8.954 10.229 7.325 1.00 0.00 H new ATOM 0 HD12 LEU B 438 9.589 11.625 8.228 1.00 0.00 H new ATOM 0 HD13 LEU B 438 7.883 11.594 7.721 1.00 0.00 H new ATOM 0 HD21 LEU B 438 8.436 10.436 4.912 1.00 0.00 H new ATOM 0 HD22 LEU B 438 7.341 11.804 5.225 1.00 0.00 H new ATOM 0 HD23 LEU B 438 8.686 11.985 4.073 1.00 0.00 H new ATOM 2198 N ASP B 439 10.034 16.268 6.540 1.00 0.00 N ATOM 2199 CA ASP B 439 9.880 17.673 6.877 1.00 0.00 C ATOM 2200 C ASP B 439 10.385 18.516 5.718 1.00 0.00 C ATOM 2201 O ASP B 439 9.724 19.457 5.277 1.00 0.00 O ATOM 2202 CB ASP B 439 10.654 18.013 8.155 1.00 0.00 C ATOM 2203 CG ASP B 439 10.289 19.379 8.705 1.00 0.00 C ATOM 2204 OD1 ASP B 439 10.296 20.354 7.926 1.00 0.00 O ATOM 2205 OD2 ASP B 439 9.996 19.471 9.915 1.00 0.00 O ATOM 0 H ASP B 439 10.506 15.710 7.251 1.00 0.00 H new ATOM 0 HA ASP B 439 8.826 17.886 7.056 1.00 0.00 H new ATOM 0 HB2 ASP B 439 10.453 17.254 8.911 1.00 0.00 H new ATOM 0 HB3 ASP B 439 11.724 17.981 7.948 1.00 0.00 H new ATOM 2210 N PHE B 440 11.567 18.157 5.225 1.00 0.00 N ATOM 2211 CA PHE B 440 12.171 18.865 4.110 1.00 0.00 C ATOM 2212 C PHE B 440 11.112 19.125 3.047 1.00 0.00 C ATOM 2213 O PHE B 440 11.054 20.205 2.458 1.00 0.00 O ATOM 2214 CB PHE B 440 13.351 18.056 3.555 1.00 0.00 C ATOM 2215 CG PHE B 440 13.551 18.167 2.071 1.00 0.00 C ATOM 2216 CD1 PHE B 440 14.270 19.221 1.531 1.00 0.00 C ATOM 2217 CD2 PHE B 440 13.037 17.206 1.217 1.00 0.00 C ATOM 2218 CE1 PHE B 440 14.469 19.316 0.167 1.00 0.00 C ATOM 2219 CE2 PHE B 440 13.233 17.294 -0.146 1.00 0.00 C ATOM 2220 CZ PHE B 440 13.949 18.351 -0.672 1.00 0.00 C ATOM 0 H PHE B 440 12.122 17.380 5.583 1.00 0.00 H new ATOM 0 HA PHE B 440 12.561 19.827 4.443 1.00 0.00 H new ATOM 0 HB2 PHE B 440 14.263 18.381 4.055 1.00 0.00 H new ATOM 0 HB3 PHE B 440 13.205 17.006 3.810 1.00 0.00 H new ATOM 0 HD1 PHE B 440 14.680 19.977 2.184 1.00 0.00 H new ATOM 0 HD2 PHE B 440 12.476 16.377 1.623 1.00 0.00 H new ATOM 0 HE1 PHE B 440 15.030 20.143 -0.242 1.00 0.00 H new ATOM 0 HE2 PHE B 440 12.827 16.537 -0.801 1.00 0.00 H new ATOM 0 HZ PHE B 440 14.102 18.423 -1.739 1.00 0.00 H new ATOM 2230 N TYR B 441 10.268 18.124 2.814 1.00 0.00 N ATOM 2231 CA TYR B 441 9.201 18.239 1.833 1.00 0.00 C ATOM 2232 C TYR B 441 8.074 19.120 2.340 1.00 0.00 C ATOM 2233 O TYR B 441 7.430 19.807 1.558 1.00 0.00 O ATOM 2234 CB TYR B 441 8.668 16.862 1.463 1.00 0.00 C ATOM 2235 CG TYR B 441 9.564 16.163 0.486 1.00 0.00 C ATOM 2236 CD1 TYR B 441 9.528 16.484 -0.860 1.00 0.00 C ATOM 2237 CD2 TYR B 441 10.473 15.214 0.916 1.00 0.00 C ATOM 2238 CE1 TYR B 441 10.372 15.873 -1.757 1.00 0.00 C ATOM 2239 CE2 TYR B 441 11.322 14.591 0.030 1.00 0.00 C ATOM 2240 CZ TYR B 441 11.270 14.922 -1.311 1.00 0.00 C ATOM 2241 OH TYR B 441 12.119 14.308 -2.203 1.00 0.00 O ATOM 0 H TYR B 441 10.305 17.224 3.293 1.00 0.00 H new ATOM 0 HA TYR B 441 9.619 18.708 0.942 1.00 0.00 H new ATOM 0 HB2 TYR B 441 8.570 16.256 2.364 1.00 0.00 H new ATOM 0 HB3 TYR B 441 7.670 16.961 1.035 1.00 0.00 H new ATOM 0 HD1 TYR B 441 8.826 17.226 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR B 441 10.517 14.957 1.964 1.00 0.00 H new ATOM 0 HE1 TYR B 441 10.333 16.135 -2.804 1.00 0.00 H new ATOM 0 HE2 TYR B 441 12.024 13.849 0.380 1.00 0.00 H new ATOM 0 HH TYR B 441 12.686 13.667 -1.726 1.00 0.00 H new ATOM 2251 N ALA B 442 7.839 19.119 3.648 1.00 0.00 N ATOM 2252 CA ALA B 442 6.792 19.955 4.211 1.00 0.00 C ATOM 2253 C ALA B 442 7.084 21.410 3.881 1.00 0.00 C ATOM 2254 O ALA B 442 6.320 22.066 3.171 1.00 0.00 O ATOM 2255 CB ALA B 442 6.677 19.761 5.715 1.00 0.00 C ATOM 0 H ALA B 442 8.352 18.557 4.327 1.00 0.00 H new ATOM 0 HA ALA B 442 5.837 19.665 3.772 1.00 0.00 H new ATOM 0 HB1 ALA B 442 5.885 20.401 6.105 1.00 0.00 H new ATOM 0 HB2 ALA B 442 6.441 18.719 5.930 1.00 0.00 H new ATOM 0 HB3 ALA B 442 7.622 20.024 6.189 1.00 0.00 H new ATOM 2261 N LYS B 443 8.216 21.898 4.377 1.00 0.00 N ATOM 2262 CA LYS B 443 8.626 23.269 4.103 1.00 0.00 C ATOM 2263 C LYS B 443 8.589 23.499 2.600 1.00 0.00 C ATOM 2264 O LYS B 443 8.111 24.530 2.126 1.00 0.00 O ATOM 2265 CB LYS B 443 10.035 23.551 4.645 1.00 0.00 C ATOM 2266 CG LYS B 443 10.512 22.553 5.687 1.00 0.00 C ATOM 2267 CD LYS B 443 11.692 23.089 6.479 1.00 0.00 C ATOM 2268 CE LYS B 443 11.310 23.377 7.922 1.00 0.00 C ATOM 2269 NZ LYS B 443 12.466 23.211 8.846 1.00 0.00 N ATOM 0 H LYS B 443 8.860 21.370 4.965 1.00 0.00 H new ATOM 0 HA LYS B 443 7.939 23.950 4.605 1.00 0.00 H new ATOM 0 HB2 LYS B 443 10.739 23.554 3.812 1.00 0.00 H new ATOM 0 HB3 LYS B 443 10.052 24.550 5.080 1.00 0.00 H new ATOM 0 HG2 LYS B 443 9.694 22.318 6.367 1.00 0.00 H new ATOM 0 HG3 LYS B 443 10.796 21.622 5.196 1.00 0.00 H new ATOM 0 HD2 LYS B 443 12.507 22.365 6.455 1.00 0.00 H new ATOM 0 HD3 LYS B 443 12.062 24.001 6.010 1.00 0.00 H new ATOM 0 HE2 LYS B 443 10.926 24.394 8.000 1.00 0.00 H new ATOM 0 HE3 LYS B 443 10.504 22.708 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 443 12.164 23.416 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 443 12.817 22.233 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 443 13.225 23.867 8.573 1.00 0.00 H new ATOM 2283 N GLN B 444 9.079 22.509 1.855 1.00 0.00 N ATOM 2284 CA GLN B 444 9.085 22.573 0.398 1.00 0.00 C ATOM 2285 C GLN B 444 7.671 22.846 -0.111 1.00 0.00 C ATOM 2286 O GLN B 444 7.429 23.813 -0.832 1.00 0.00 O ATOM 2287 CB GLN B 444 9.623 21.255 -0.187 1.00 0.00 C ATOM 2288 CG GLN B 444 11.140 21.166 -0.193 1.00 0.00 C ATOM 2289 CD GLN B 444 11.701 21.098 -1.596 1.00 0.00 C ATOM 2290 OE1 GLN B 444 11.038 21.778 -2.523 1.00 0.00 O flip ATOM 2291 NE2 GLN B 444 12.715 20.446 -1.845 1.00 0.00 N flip ATOM 0 H GLN B 444 9.477 21.652 2.239 1.00 0.00 H new ATOM 0 HA GLN B 444 9.738 23.385 0.077 1.00 0.00 H new ATOM 0 HB2 GLN B 444 9.221 20.421 0.388 1.00 0.00 H new ATOM 0 HB3 GLN B 444 9.257 21.144 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN B 444 11.555 22.033 0.321 1.00 0.00 H new ATOM 0 HG3 GLN B 444 11.453 20.284 0.365 1.00 0.00 H new ATOM 0 HE21 GLN B 444 13.191 19.939 -1.099 1.00 0.00 H new ATOM 0 HE22 GLN B 444 13.079 20.413 -2.797 1.00 0.00 H new ATOM 2300 N ARG B 445 6.744 21.981 0.282 1.00 0.00 N ATOM 2301 CA ARG B 445 5.344 22.101 -0.108 1.00 0.00 C ATOM 2302 C ARG B 445 4.849 23.532 0.070 1.00 0.00 C ATOM 2303 O ARG B 445 4.079 24.039 -0.744 1.00 0.00 O ATOM 2304 CB ARG B 445 4.483 21.146 0.724 1.00 0.00 C ATOM 2305 CG ARG B 445 3.987 19.935 -0.050 1.00 0.00 C ATOM 2306 CD ARG B 445 3.424 20.331 -1.404 1.00 0.00 C ATOM 2307 NE ARG B 445 2.133 19.698 -1.666 1.00 0.00 N ATOM 2308 CZ ARG B 445 1.300 20.092 -2.624 1.00 0.00 C ATOM 2309 NH1 ARG B 445 1.618 21.117 -3.404 1.00 0.00 N ATOM 2310 NH2 ARG B 445 0.146 19.464 -2.802 1.00 0.00 N ATOM 0 H ARG B 445 6.941 21.178 0.879 1.00 0.00 H new ATOM 0 HA ARG B 445 5.261 21.836 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG B 445 5.061 20.805 1.583 1.00 0.00 H new ATOM 0 HB3 ARG B 445 3.625 21.692 1.115 1.00 0.00 H new ATOM 0 HG2 ARG B 445 4.806 19.230 -0.188 1.00 0.00 H new ATOM 0 HG3 ARG B 445 3.219 19.422 0.529 1.00 0.00 H new ATOM 0 HD2 ARG B 445 3.312 21.414 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG B 445 4.130 20.052 -2.186 1.00 0.00 H new ATOM 0 HE ARG B 445 1.856 18.910 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG B 445 2.504 21.605 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG B 445 0.977 21.417 -4.138 1.00 0.00 H new ATOM 0 HH21 ARG B 445 -0.104 18.677 -2.203 1.00 0.00 H new ATOM 0 HH22 ARG B 445 -0.492 19.768 -3.538 1.00 0.00 H new ATOM 2324 N ALA B 446 5.299 24.180 1.139 1.00 0.00 N ATOM 2325 CA ALA B 446 4.901 25.555 1.416 1.00 0.00 C ATOM 2326 C ALA B 446 5.663 26.530 0.521 1.00 0.00 C ATOM 2327 O ALA B 446 5.100 27.506 0.028 1.00 0.00 O ATOM 2328 CB ALA B 446 5.117 25.898 2.882 1.00 0.00 C ATOM 0 H ALA B 446 5.937 23.777 1.825 1.00 0.00 H new ATOM 0 HA ALA B 446 3.837 25.647 1.197 1.00 0.00 H new ATOM 0 HB1 ALA B 446 4.813 26.929 3.063 1.00 0.00 H new ATOM 0 HB2 ALA B 446 4.522 25.229 3.504 1.00 0.00 H new ATOM 0 HB3 ALA B 446 6.172 25.782 3.131 1.00 0.00 H new ATOM 2334 N ALA B 447 6.949 26.256 0.323 1.00 0.00 N ATOM 2335 CA ALA B 447 7.795 27.107 -0.504 1.00 0.00 C ATOM 2336 C ALA B 447 7.293 27.138 -1.939 1.00 0.00 C ATOM 2337 O ALA B 447 6.956 28.198 -2.465 1.00 0.00 O ATOM 2338 CB ALA B 447 9.243 26.637 -0.469 1.00 0.00 C ATOM 0 H ALA B 447 7.428 25.450 0.725 1.00 0.00 H new ATOM 0 HA ALA B 447 7.748 28.116 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA B 447 9.852 27.289 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA B 447 9.611 26.669 0.556 1.00 0.00 H new ATOM 0 HB3 ALA B 447 9.303 25.615 -0.844 1.00 0.00 H new