USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 368 MET CE :methyl -179:sc= -10.6! (180deg=-5.16!) USER MOD Set 1.2: B 369 ASN : amide:sc= -5.47! C(o=-16!,f=-13!) USER MOD Single : B 371 LYS NZ :NH3+ 135:sc= -0.372 (180deg=-1.33!) USER MOD Single : B 373 GLN : amide:sc= -13.3! C(o=-13!,f=-18!) USER MOD Single : B 375 TYR OH : rot 180:sc= 0 USER MOD Single : B 376 SER OG : rot 140:sc= -2.87! USER MOD Single : B 380 TYR OH : rot 180:sc= 0 USER MOD Single : B 382 SER OG : rot 180:sc= 0 USER MOD Single : B 386 HIS : no HE2:sc= -2.4 K(o=-2.4,f=-3.7!) USER MOD Single : B 387 TYR OH : rot -133:sc= -6.85! 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= -0.998 USER MOD Single : B 399 ASN : amide:sc= -3.45 K(o=-3.4,f=-9.5!) USER MOD Single : B 400 SER OG : rot 180:sc= 0 USER MOD Single : B 404 CYS SG : rot -158:sc= -2.24! USER MOD Single : B 410 THR OG1 : rot 92:sc= 0.681 USER MOD Single : B 414 THR OG1 : rot 61:sc= -0.565 USER MOD Single : B 419 ASN : amide:sc= -8.14! C(o=-8.1!,f=-10!) USER MOD Single : B 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -3.34! C(o=-3.3!,f=-7.2!) USER MOD Single : B 435 LYS NZ :NH3+ -143:sc= -0.472 (180deg=-0.864) USER MOD Single : B 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 437 MET CE :methyl -166:sc= -2.53 (180deg=-2.62!) 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 Single : B 444 GLN : amide:sc= -5.07! C(o=-5.1!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1069 N ASP B 367 -4.975 4.106 -15.905 1.00 0.00 N ATOM 1070 CA ASP B 367 -3.733 3.898 -15.165 1.00 0.00 C ATOM 1071 C ASP B 367 -2.561 4.381 -16.008 1.00 0.00 C ATOM 1072 O ASP B 367 -1.918 5.390 -15.692 1.00 0.00 O ATOM 1073 CB ASP B 367 -3.559 2.417 -14.812 1.00 0.00 C ATOM 1074 CG ASP B 367 -4.141 1.498 -15.869 1.00 0.00 C ATOM 1075 OD1 ASP B 367 -3.710 1.591 -17.038 1.00 0.00 O ATOM 1076 OD2 ASP B 367 -5.025 0.685 -15.528 1.00 0.00 O ATOM 0 HA ASP B 367 -3.770 4.466 -14.235 1.00 0.00 H new ATOM 0 HB2 ASP B 367 -2.498 2.198 -14.688 1.00 0.00 H new ATOM 0 HB3 ASP B 367 -4.040 2.216 -13.855 1.00 0.00 H new ATOM 1081 N MET B 368 -2.301 3.651 -17.089 1.00 0.00 N ATOM 1082 CA MET B 368 -1.229 3.986 -18.017 1.00 0.00 C ATOM 1083 C MET B 368 -1.055 5.499 -18.093 1.00 0.00 C ATOM 1084 O MET B 368 0.034 6.021 -17.853 1.00 0.00 O ATOM 1085 CB MET B 368 -1.549 3.399 -19.400 1.00 0.00 C ATOM 1086 CG MET B 368 -0.964 4.167 -20.582 1.00 0.00 C ATOM 1087 SD MET B 368 -2.203 4.540 -21.842 1.00 0.00 S ATOM 1088 CE MET B 368 -3.266 5.683 -20.959 1.00 0.00 C ATOM 0 H MET B 368 -2.826 2.814 -17.344 1.00 0.00 H new ATOM 0 HA MET B 368 -0.292 3.557 -17.663 1.00 0.00 H new ATOM 0 HB2 MET B 368 -1.182 2.373 -19.436 1.00 0.00 H new ATOM 0 HB3 MET B 368 -2.632 3.354 -19.516 1.00 0.00 H new ATOM 0 HG2 MET B 368 -0.522 5.097 -20.225 1.00 0.00 H new ATOM 0 HG3 MET B 368 -0.160 3.583 -21.029 1.00 0.00 H new ATOM 0 HE1 MET B 368 -4.089 5.987 -21.605 1.00 0.00 H new ATOM 0 HE2 MET B 368 -3.664 5.196 -20.069 1.00 0.00 H new ATOM 0 HE3 MET B 368 -2.691 6.561 -20.665 1.00 0.00 H new ATOM 1098 N ASN B 369 -2.136 6.198 -18.425 1.00 0.00 N ATOM 1099 CA ASN B 369 -2.100 7.649 -18.525 1.00 0.00 C ATOM 1100 C ASN B 369 -1.524 8.254 -17.252 1.00 0.00 C ATOM 1101 O ASN B 369 -0.538 8.990 -17.296 1.00 0.00 O ATOM 1102 CB ASN B 369 -3.502 8.200 -18.788 1.00 0.00 C ATOM 1103 CG ASN B 369 -3.672 8.673 -20.218 1.00 0.00 C ATOM 1104 OD1 ASN B 369 -2.950 9.554 -20.684 1.00 0.00 O ATOM 1105 ND2 ASN B 369 -4.629 8.083 -20.923 1.00 0.00 N ATOM 0 H ASN B 369 -3.045 5.782 -18.629 1.00 0.00 H new ATOM 0 HA ASN B 369 -1.457 7.923 -19.362 1.00 0.00 H new ATOM 0 HB2 ASN B 369 -4.240 7.428 -18.572 1.00 0.00 H new ATOM 0 HB3 ASN B 369 -3.699 9.028 -18.107 1.00 0.00 H new ATOM 0 HD21 ASN B 369 -4.790 8.356 -21.893 1.00 0.00 H new ATOM 0 HD22 ASN B 369 -5.204 7.357 -20.495 1.00 0.00 H new ATOM 1112 N ALA B 370 -2.132 7.930 -16.115 1.00 0.00 N ATOM 1113 CA ALA B 370 -1.656 8.439 -14.836 1.00 0.00 C ATOM 1114 C ALA B 370 -0.138 8.354 -14.775 1.00 0.00 C ATOM 1115 O ALA B 370 0.555 9.366 -14.915 1.00 0.00 O ATOM 1116 CB ALA B 370 -2.278 7.678 -13.674 1.00 0.00 C ATOM 0 H ALA B 370 -2.949 7.322 -16.054 1.00 0.00 H new ATOM 0 HA ALA B 370 -1.958 9.483 -14.750 1.00 0.00 H new ATOM 0 HB1 ALA B 370 -1.903 8.081 -12.733 1.00 0.00 H new ATOM 0 HB2 ALA B 370 -3.362 7.784 -13.708 1.00 0.00 H new ATOM 0 HB3 ALA B 370 -2.015 6.623 -13.747 1.00 0.00 H new ATOM 1122 N LYS B 371 0.379 7.144 -14.565 1.00 0.00 N ATOM 1123 CA LYS B 371 1.821 6.936 -14.490 1.00 0.00 C ATOM 1124 C LYS B 371 2.540 7.858 -15.463 1.00 0.00 C ATOM 1125 O LYS B 371 3.609 8.394 -15.164 1.00 0.00 O ATOM 1126 CB LYS B 371 2.169 5.480 -14.804 1.00 0.00 C ATOM 1127 CG LYS B 371 1.208 4.476 -14.192 1.00 0.00 C ATOM 1128 CD LYS B 371 0.332 3.828 -15.250 1.00 0.00 C ATOM 1129 CE LYS B 371 0.894 2.486 -15.693 1.00 0.00 C ATOM 1130 NZ LYS B 371 1.133 1.576 -14.540 1.00 0.00 N ATOM 0 H LYS B 371 -0.178 6.298 -14.445 1.00 0.00 H new ATOM 0 HA LYS B 371 2.147 7.166 -13.476 1.00 0.00 H new ATOM 0 HB2 LYS B 371 2.182 5.344 -15.885 1.00 0.00 H new ATOM 0 HB3 LYS B 371 3.176 5.271 -14.444 1.00 0.00 H new ATOM 0 HG2 LYS B 371 1.771 3.707 -13.664 1.00 0.00 H new ATOM 0 HG3 LYS B 371 0.580 4.975 -13.454 1.00 0.00 H new ATOM 0 HD2 LYS B 371 -0.675 3.690 -14.856 1.00 0.00 H new ATOM 0 HD3 LYS B 371 0.249 4.491 -16.111 1.00 0.00 H new ATOM 0 HE2 LYS B 371 0.201 2.015 -16.390 1.00 0.00 H new ATOM 0 HE3 LYS B 371 1.829 2.644 -16.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 0.776 0.626 -14.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 2.153 1.525 -14.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 0.637 1.940 -13.702 1.00 0.00 H new ATOM 1144 N ARG B 372 1.933 8.042 -16.629 1.00 0.00 N ATOM 1145 CA ARG B 372 2.490 8.904 -17.657 1.00 0.00 C ATOM 1146 C ARG B 372 2.641 10.328 -17.130 1.00 0.00 C ATOM 1147 O ARG B 372 3.729 10.895 -17.145 1.00 0.00 O ATOM 1148 CB ARG B 372 1.587 8.892 -18.891 1.00 0.00 C ATOM 1149 CG ARG B 372 2.326 9.132 -20.198 1.00 0.00 C ATOM 1150 CD ARG B 372 2.360 10.611 -20.548 1.00 0.00 C ATOM 1151 NE ARG B 372 3.230 10.885 -21.687 1.00 0.00 N ATOM 1152 CZ ARG B 372 3.817 12.058 -21.900 1.00 0.00 C ATOM 1153 NH1 ARG B 372 3.639 13.057 -21.046 1.00 0.00 N ATOM 1154 NH2 ARG B 372 4.584 12.233 -22.967 1.00 0.00 N ATOM 0 H ARG B 372 1.049 7.601 -16.885 1.00 0.00 H new ATOM 0 HA ARG B 372 3.476 8.530 -17.934 1.00 0.00 H new ATOM 0 HB2 ARG B 372 1.076 7.931 -18.945 1.00 0.00 H new ATOM 0 HB3 ARG B 372 0.818 9.656 -18.774 1.00 0.00 H new ATOM 0 HG2 ARG B 372 3.344 8.751 -20.118 1.00 0.00 H new ATOM 0 HG3 ARG B 372 1.840 8.577 -21.001 1.00 0.00 H new ATOM 0 HD2 ARG B 372 1.350 10.953 -20.773 1.00 0.00 H new ATOM 0 HD3 ARG B 372 2.704 11.180 -19.684 1.00 0.00 H new ATOM 0 HE ARG B 372 3.397 10.134 -22.357 1.00 0.00 H new ATOM 0 HH11 ARG B 372 3.050 12.926 -20.223 1.00 0.00 H new ATOM 0 HH12 ARG B 372 4.091 13.956 -21.212 1.00 0.00 H new ATOM 0 HH21 ARG B 372 4.724 11.467 -23.626 1.00 0.00 H new ATOM 0 HH22 ARG B 372 5.034 13.134 -23.129 1.00 0.00 H new ATOM 1168 N GLN B 373 1.540 10.896 -16.652 1.00 0.00 N ATOM 1169 CA GLN B 373 1.553 12.249 -16.112 1.00 0.00 C ATOM 1170 C GLN B 373 2.673 12.412 -15.092 1.00 0.00 C ATOM 1171 O GLN B 373 3.241 13.494 -14.940 1.00 0.00 O ATOM 1172 CB GLN B 373 0.204 12.573 -15.458 1.00 0.00 C ATOM 1173 CG GLN B 373 -0.144 14.054 -15.474 1.00 0.00 C ATOM 1174 CD GLN B 373 0.835 14.900 -14.681 1.00 0.00 C ATOM 1175 OE1 GLN B 373 1.121 16.041 -15.044 1.00 0.00 O ATOM 1176 NE2 GLN B 373 1.356 14.348 -13.589 1.00 0.00 N ATOM 0 H GLN B 373 0.628 10.440 -16.628 1.00 0.00 H new ATOM 0 HA GLN B 373 1.727 12.942 -16.935 1.00 0.00 H new ATOM 0 HB2 GLN B 373 -0.581 12.019 -15.972 1.00 0.00 H new ATOM 0 HB3 GLN B 373 0.217 12.223 -14.426 1.00 0.00 H new ATOM 0 HG2 GLN B 373 -0.167 14.405 -16.506 1.00 0.00 H new ATOM 0 HG3 GLN B 373 -1.146 14.191 -15.068 1.00 0.00 H new ATOM 0 HE21 GLN B 373 1.093 13.399 -13.322 1.00 0.00 H new ATOM 0 HE22 GLN B 373 2.018 14.873 -13.018 1.00 0.00 H new ATOM 1185 N LEU B 374 2.972 11.330 -14.386 1.00 0.00 N ATOM 1186 CA LEU B 374 4.007 11.339 -13.357 1.00 0.00 C ATOM 1187 C LEU B 374 5.417 11.434 -13.939 1.00 0.00 C ATOM 1188 O LEU B 374 6.036 12.497 -13.911 1.00 0.00 O ATOM 1189 CB LEU B 374 3.884 10.086 -12.492 1.00 0.00 C ATOM 1190 CG LEU B 374 2.630 10.021 -11.615 1.00 0.00 C ATOM 1191 CD1 LEU B 374 2.961 10.422 -10.189 1.00 0.00 C ATOM 1192 CD2 LEU B 374 1.528 10.912 -12.173 1.00 0.00 C ATOM 0 H LEU B 374 2.510 10.429 -14.507 1.00 0.00 H new ATOM 0 HA LEU B 374 3.852 12.231 -12.750 1.00 0.00 H new ATOM 0 HB2 LEU B 374 3.899 9.212 -13.143 1.00 0.00 H new ATOM 0 HB3 LEU B 374 4.762 10.020 -11.849 1.00 0.00 H new ATOM 0 HG LEU B 374 2.269 8.993 -11.616 1.00 0.00 H new ATOM 0 HD11 LEU B 374 2.060 10.371 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU B 374 3.712 9.743 -9.785 1.00 0.00 H new ATOM 0 HD13 LEU B 374 3.349 11.440 -10.178 1.00 0.00 H new ATOM 0 HD21 LEU B 374 0.649 10.848 -11.532 1.00 0.00 H new ATOM 0 HD22 LEU B 374 1.877 11.944 -12.208 1.00 0.00 H new ATOM 0 HD23 LEU B 374 1.268 10.583 -13.179 1.00 0.00 H new ATOM 1204 N TYR B 375 5.934 10.314 -14.435 1.00 0.00 N ATOM 1205 CA TYR B 375 7.290 10.275 -14.985 1.00 0.00 C ATOM 1206 C TYR B 375 7.365 10.835 -16.405 1.00 0.00 C ATOM 1207 O TYR B 375 8.370 10.657 -17.094 1.00 0.00 O ATOM 1208 CB TYR B 375 7.823 8.843 -14.969 1.00 0.00 C ATOM 1209 CG TYR B 375 8.389 8.426 -13.631 1.00 0.00 C ATOM 1210 CD1 TYR B 375 7.846 8.906 -12.445 1.00 0.00 C ATOM 1211 CD2 TYR B 375 9.468 7.555 -13.553 1.00 0.00 C ATOM 1212 CE1 TYR B 375 8.361 8.528 -11.220 1.00 0.00 C ATOM 1213 CE2 TYR B 375 9.989 7.173 -12.331 1.00 0.00 C ATOM 1214 CZ TYR B 375 9.432 7.662 -11.168 1.00 0.00 C ATOM 1215 OH TYR B 375 9.949 7.281 -9.951 1.00 0.00 O ATOM 0 H TYR B 375 5.439 9.423 -14.469 1.00 0.00 H new ATOM 0 HA TYR B 375 7.908 10.911 -14.351 1.00 0.00 H new ATOM 0 HB2 TYR B 375 7.018 8.161 -15.243 1.00 0.00 H new ATOM 0 HB3 TYR B 375 8.598 8.743 -15.729 1.00 0.00 H new ATOM 0 HD1 TYR B 375 7.008 9.586 -12.482 1.00 0.00 H new ATOM 0 HD2 TYR B 375 9.907 7.170 -14.462 1.00 0.00 H new ATOM 0 HE1 TYR B 375 7.927 8.909 -10.308 1.00 0.00 H new ATOM 0 HE2 TYR B 375 10.828 6.495 -12.287 1.00 0.00 H new ATOM 0 HH TYR B 375 10.700 6.667 -10.092 1.00 0.00 H new ATOM 1225 N SER B 376 6.308 11.503 -16.846 1.00 0.00 N ATOM 1226 CA SER B 376 6.289 12.067 -18.191 1.00 0.00 C ATOM 1227 C SER B 376 5.914 13.545 -18.185 1.00 0.00 C ATOM 1228 O SER B 376 6.324 14.295 -19.071 1.00 0.00 O ATOM 1229 CB SER B 376 5.328 11.289 -19.088 1.00 0.00 C ATOM 1230 OG SER B 376 5.789 11.259 -20.427 1.00 0.00 O ATOM 0 H SER B 376 5.462 11.667 -16.301 1.00 0.00 H new ATOM 0 HA SER B 376 7.300 11.981 -18.589 1.00 0.00 H new ATOM 0 HB2 SER B 376 5.221 10.271 -18.714 1.00 0.00 H new ATOM 0 HB3 SER B 376 4.340 11.747 -19.051 1.00 0.00 H new ATOM 0 HG SER B 376 5.629 10.371 -20.808 1.00 0.00 H new ATOM 1236 N LEU B 377 5.132 13.968 -17.197 1.00 0.00 N ATOM 1237 CA LEU B 377 4.719 15.363 -17.119 1.00 0.00 C ATOM 1238 C LEU B 377 5.384 16.085 -15.952 1.00 0.00 C ATOM 1239 O LEU B 377 5.401 17.315 -15.910 1.00 0.00 O ATOM 1240 CB LEU B 377 3.198 15.469 -17.002 1.00 0.00 C ATOM 1241 CG LEU B 377 2.520 16.217 -18.151 1.00 0.00 C ATOM 1242 CD1 LEU B 377 2.401 15.322 -19.374 1.00 0.00 C ATOM 1243 CD2 LEU B 377 1.152 16.728 -17.725 1.00 0.00 C ATOM 0 H LEU B 377 4.776 13.373 -16.449 1.00 0.00 H new ATOM 0 HA LEU B 377 5.041 15.848 -18.041 1.00 0.00 H new ATOM 0 HB2 LEU B 377 2.781 14.464 -16.944 1.00 0.00 H new ATOM 0 HB3 LEU B 377 2.953 15.970 -16.065 1.00 0.00 H new ATOM 0 HG LEU B 377 3.138 17.075 -18.413 1.00 0.00 H new ATOM 0 HD11 LEU B 377 1.916 15.871 -20.181 1.00 0.00 H new ATOM 0 HD12 LEU B 377 3.395 15.009 -19.694 1.00 0.00 H new ATOM 0 HD13 LEU B 377 1.806 14.443 -19.125 1.00 0.00 H new ATOM 0 HD21 LEU B 377 0.686 17.257 -18.556 1.00 0.00 H new ATOM 0 HD22 LEU B 377 0.524 15.886 -17.433 1.00 0.00 H new ATOM 0 HD23 LEU B 377 1.264 17.407 -16.880 1.00 0.00 H new ATOM 1255 N ILE B 378 5.929 15.329 -15.003 1.00 0.00 N ATOM 1256 CA ILE B 378 6.586 15.922 -13.851 1.00 0.00 C ATOM 1257 C ILE B 378 7.935 15.259 -13.622 1.00 0.00 C ATOM 1258 O ILE B 378 8.977 15.911 -13.666 1.00 0.00 O ATOM 1259 CB ILE B 378 5.724 15.778 -12.580 1.00 0.00 C ATOM 1260 CG1 ILE B 378 4.277 16.181 -12.871 1.00 0.00 C ATOM 1261 CG2 ILE B 378 6.299 16.619 -11.451 1.00 0.00 C ATOM 1262 CD1 ILE B 378 4.151 17.504 -13.595 1.00 0.00 C ATOM 0 H ILE B 378 5.927 14.309 -15.012 1.00 0.00 H new ATOM 0 HA ILE B 378 6.726 16.983 -14.057 1.00 0.00 H new ATOM 0 HB ILE B 378 5.734 14.734 -12.268 1.00 0.00 H new ATOM 0 HG12 ILE B 378 3.805 15.402 -13.470 1.00 0.00 H new ATOM 0 HG13 ILE B 378 3.728 16.237 -11.931 1.00 0.00 H new ATOM 0 HG21 ILE B 378 5.679 16.506 -10.561 1.00 0.00 H new ATOM 0 HG22 ILE B 378 7.314 16.287 -11.231 1.00 0.00 H new ATOM 0 HG23 ILE B 378 6.317 17.667 -11.751 1.00 0.00 H new ATOM 0 HD11 ILE B 378 3.098 17.725 -13.768 1.00 0.00 H new ATOM 0 HD12 ILE B 378 4.593 18.294 -12.988 1.00 0.00 H new ATOM 0 HD13 ILE B 378 4.671 17.447 -14.551 1.00 0.00 H new ATOM 1274 N GLY B 379 7.904 13.953 -13.390 1.00 0.00 N ATOM 1275 CA GLY B 379 9.123 13.209 -13.172 1.00 0.00 C ATOM 1276 C GLY B 379 10.129 13.425 -14.281 1.00 0.00 C ATOM 1277 O GLY B 379 9.767 13.546 -15.452 1.00 0.00 O ATOM 0 H GLY B 379 7.050 13.396 -13.349 1.00 0.00 H new ATOM 0 HA2 GLY B 379 9.564 13.507 -12.221 1.00 0.00 H new ATOM 0 HA3 GLY B 379 8.890 12.147 -13.097 1.00 0.00 H new ATOM 1281 N TYR B 380 11.393 13.467 -13.903 1.00 0.00 N ATOM 1282 CA TYR B 380 12.477 13.665 -14.860 1.00 0.00 C ATOM 1283 C TYR B 380 13.717 12.860 -14.477 1.00 0.00 C ATOM 1284 O TYR B 380 14.292 12.158 -15.309 1.00 0.00 O ATOM 1285 CB TYR B 380 12.829 15.149 -14.971 1.00 0.00 C ATOM 1286 CG TYR B 380 13.045 15.828 -13.638 1.00 0.00 C ATOM 1287 CD1 TYR B 380 12.018 15.920 -12.708 1.00 0.00 C ATOM 1288 CD2 TYR B 380 14.277 16.382 -13.312 1.00 0.00 C ATOM 1289 CE1 TYR B 380 12.211 16.544 -11.491 1.00 0.00 C ATOM 1290 CE2 TYR B 380 14.479 17.008 -12.096 1.00 0.00 C ATOM 1291 CZ TYR B 380 13.443 17.087 -11.190 1.00 0.00 C ATOM 1292 OH TYR B 380 13.638 17.709 -9.978 1.00 0.00 O ATOM 0 H TYR B 380 11.700 13.367 -12.936 1.00 0.00 H new ATOM 0 HA TYR B 380 12.129 13.307 -15.829 1.00 0.00 H new ATOM 0 HB2 TYR B 380 13.732 15.254 -15.572 1.00 0.00 H new ATOM 0 HB3 TYR B 380 12.030 15.663 -15.504 1.00 0.00 H new ATOM 0 HD1 TYR B 380 11.052 15.496 -12.940 1.00 0.00 H new ATOM 0 HD2 TYR B 380 15.090 16.323 -14.020 1.00 0.00 H new ATOM 0 HE1 TYR B 380 11.402 16.607 -10.779 1.00 0.00 H new ATOM 0 HE2 TYR B 380 15.443 17.433 -11.857 1.00 0.00 H new ATOM 0 HH TYR B 380 14.560 18.036 -9.923 1.00 0.00 H new ATOM 1302 N ALA B 381 14.126 12.964 -13.215 1.00 0.00 N ATOM 1303 CA ALA B 381 15.302 12.241 -12.733 1.00 0.00 C ATOM 1304 C ALA B 381 15.685 12.676 -11.321 1.00 0.00 C ATOM 1305 O ALA B 381 16.293 11.910 -10.573 1.00 0.00 O ATOM 1306 CB ALA B 381 16.481 12.429 -13.675 1.00 0.00 C ATOM 0 H ALA B 381 13.664 13.539 -12.510 1.00 0.00 H new ATOM 0 HA ALA B 381 15.042 11.183 -12.705 1.00 0.00 H new ATOM 0 HB1 ALA B 381 17.343 11.881 -13.293 1.00 0.00 H new ATOM 0 HB2 ALA B 381 16.220 12.052 -14.664 1.00 0.00 H new ATOM 0 HB3 ALA B 381 16.726 13.489 -13.744 1.00 0.00 H new ATOM 1312 N SER B 382 15.326 13.904 -10.959 1.00 0.00 N ATOM 1313 CA SER B 382 15.633 14.429 -9.634 1.00 0.00 C ATOM 1314 C SER B 382 14.363 14.598 -8.808 1.00 0.00 C ATOM 1315 O SER B 382 14.421 14.918 -7.621 1.00 0.00 O ATOM 1316 CB SER B 382 16.364 15.768 -9.744 1.00 0.00 C ATOM 1317 OG SER B 382 17.753 15.615 -9.503 1.00 0.00 O ATOM 0 H SER B 382 14.823 14.553 -11.564 1.00 0.00 H new ATOM 0 HA SER B 382 16.281 13.711 -9.131 1.00 0.00 H new ATOM 0 HB2 SER B 382 16.209 16.190 -10.737 1.00 0.00 H new ATOM 0 HB3 SER B 382 15.944 16.475 -9.028 1.00 0.00 H new ATOM 0 HG SER B 382 18.196 16.485 -9.581 1.00 0.00 H new ATOM 1323 N LEU B 383 13.213 14.383 -9.442 1.00 0.00 N ATOM 1324 CA LEU B 383 11.934 14.514 -8.760 1.00 0.00 C ATOM 1325 C LEU B 383 11.948 13.771 -7.430 1.00 0.00 C ATOM 1326 O LEU B 383 11.601 14.331 -6.391 1.00 0.00 O ATOM 1327 CB LEU B 383 10.798 13.982 -9.637 1.00 0.00 C ATOM 1328 CG LEU B 383 9.576 14.896 -9.738 1.00 0.00 C ATOM 1329 CD1 LEU B 383 8.317 14.082 -10.004 1.00 0.00 C ATOM 1330 CD2 LEU B 383 9.419 15.720 -8.469 1.00 0.00 C ATOM 0 H LEU B 383 13.143 14.118 -10.425 1.00 0.00 H new ATOM 0 HA LEU B 383 11.767 15.574 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU B 383 11.186 13.807 -10.641 1.00 0.00 H new ATOM 0 HB3 LEU B 383 10.479 13.016 -9.245 1.00 0.00 H new ATOM 0 HG LEU B 383 9.727 15.577 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU B 383 7.459 14.751 -10.072 1.00 0.00 H new ATOM 0 HD12 LEU B 383 8.428 13.537 -10.941 1.00 0.00 H new ATOM 0 HD13 LEU B 383 8.162 13.375 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU B 383 8.544 16.364 -8.559 1.00 0.00 H new ATOM 0 HD22 LEU B 383 9.292 15.054 -7.616 1.00 0.00 H new ATOM 0 HD23 LEU B 383 10.308 16.333 -8.321 1.00 0.00 H new ATOM 1342 N ARG B 384 12.346 12.503 -7.469 1.00 0.00 N ATOM 1343 CA ARG B 384 12.396 11.687 -6.264 1.00 0.00 C ATOM 1344 C ARG B 384 10.996 11.218 -5.874 1.00 0.00 C ATOM 1345 O ARG B 384 10.805 10.611 -4.821 1.00 0.00 O ATOM 1346 CB ARG B 384 13.023 12.484 -5.118 1.00 0.00 C ATOM 1347 CG ARG B 384 13.518 11.622 -3.968 1.00 0.00 C ATOM 1348 CD ARG B 384 14.571 10.625 -4.428 1.00 0.00 C ATOM 1349 NE ARG B 384 15.667 10.506 -3.469 1.00 0.00 N ATOM 1350 CZ ARG B 384 16.906 10.155 -3.803 1.00 0.00 C ATOM 1351 NH1 ARG B 384 17.212 9.907 -5.069 1.00 0.00 N ATOM 1352 NH2 ARG B 384 17.843 10.057 -2.869 1.00 0.00 N ATOM 0 H ARG B 384 12.637 12.021 -8.319 1.00 0.00 H new ATOM 0 HA ARG B 384 13.010 10.809 -6.464 1.00 0.00 H new ATOM 0 HB2 ARG B 384 13.857 13.067 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG B 384 12.288 13.194 -4.737 1.00 0.00 H new ATOM 0 HG2 ARG B 384 13.936 12.259 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG B 384 12.678 11.087 -3.526 1.00 0.00 H new ATOM 0 HD2 ARG B 384 14.108 9.649 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG B 384 14.967 10.936 -5.395 1.00 0.00 H new ATOM 0 HE ARG B 384 15.471 10.703 -2.488 1.00 0.00 H new ATOM 0 HH11 ARG B 384 16.496 9.985 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG B 384 18.163 9.638 -5.321 1.00 0.00 H new ATOM 0 HH21 ARG B 384 17.614 10.251 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG B 384 18.793 9.788 -3.126 1.00 0.00 H new ATOM 1366 N LEU B 385 10.020 11.503 -6.736 1.00 0.00 N ATOM 1367 CA LEU B 385 8.640 11.110 -6.490 1.00 0.00 C ATOM 1368 C LEU B 385 8.557 9.641 -6.110 1.00 0.00 C ATOM 1369 O LEU B 385 9.196 8.789 -6.728 1.00 0.00 O ATOM 1370 CB LEU B 385 7.783 11.388 -7.728 1.00 0.00 C ATOM 1371 CG LEU B 385 6.285 11.535 -7.463 1.00 0.00 C ATOM 1372 CD1 LEU B 385 5.656 12.493 -8.462 1.00 0.00 C ATOM 1373 CD2 LEU B 385 5.604 10.177 -7.521 1.00 0.00 C ATOM 0 H LEU B 385 10.164 12.006 -7.612 1.00 0.00 H new ATOM 0 HA LEU B 385 8.258 11.700 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU B 385 8.143 12.301 -8.202 1.00 0.00 H new ATOM 0 HB3 LEU B 385 7.932 10.578 -8.442 1.00 0.00 H new ATOM 0 HG LEU B 385 6.149 11.948 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU B 385 4.589 12.584 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU B 385 6.127 13.472 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU B 385 5.800 12.111 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU B 385 4.537 10.296 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU B 385 5.749 9.739 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU B 385 6.036 9.521 -6.766 1.00 0.00 H new ATOM 1385 N HIS B 386 7.770 9.350 -5.083 1.00 0.00 N ATOM 1386 CA HIS B 386 7.616 7.973 -4.621 1.00 0.00 C ATOM 1387 C HIS B 386 6.275 7.738 -3.934 1.00 0.00 C ATOM 1388 O HIS B 386 5.842 8.531 -3.095 1.00 0.00 O ATOM 1389 CB HIS B 386 8.759 7.602 -3.674 1.00 0.00 C ATOM 1390 CG HIS B 386 8.709 8.318 -2.359 1.00 0.00 C ATOM 1391 ND1 HIS B 386 9.609 9.305 -2.008 1.00 0.00 N ATOM 1392 CD2 HIS B 386 7.869 8.185 -1.306 1.00 0.00 C ATOM 1393 CE1 HIS B 386 9.322 9.745 -0.795 1.00 0.00 C ATOM 1394 NE2 HIS B 386 8.271 9.083 -0.348 1.00 0.00 N ATOM 0 H HIS B 386 7.233 10.039 -4.557 1.00 0.00 H new ATOM 0 HA HIS B 386 7.647 7.333 -5.503 1.00 0.00 H new ATOM 0 HB2 HIS B 386 8.735 6.527 -3.493 1.00 0.00 H new ATOM 0 HB3 HIS B 386 9.709 7.822 -4.161 1.00 0.00 H new ATOM 0 HD1 HIS B 386 10.374 9.641 -2.592 1.00 0.00 H new ATOM 0 HD2 HIS B 386 7.037 7.500 -1.233 1.00 0.00 H new ATOM 0 HE1 HIS B 386 9.857 10.516 -0.260 1.00 0.00 H new ATOM 1403 N TYR B 387 5.629 6.632 -4.296 1.00 0.00 N ATOM 1404 CA TYR B 387 4.345 6.264 -3.717 1.00 0.00 C ATOM 1405 C TYR B 387 4.536 5.354 -2.515 1.00 0.00 C ATOM 1406 O TYR B 387 5.399 4.474 -2.518 1.00 0.00 O ATOM 1407 CB TYR B 387 3.471 5.554 -4.751 1.00 0.00 C ATOM 1408 CG TYR B 387 2.890 6.484 -5.781 1.00 0.00 C ATOM 1409 CD1 TYR B 387 3.716 7.262 -6.573 1.00 0.00 C ATOM 1410 CD2 TYR B 387 1.517 6.587 -5.959 1.00 0.00 C ATOM 1411 CE1 TYR B 387 3.196 8.119 -7.516 1.00 0.00 C ATOM 1412 CE2 TYR B 387 0.984 7.442 -6.902 1.00 0.00 C ATOM 1413 CZ TYR B 387 1.828 8.208 -7.679 1.00 0.00 C ATOM 1414 OH TYR B 387 1.305 9.064 -8.620 1.00 0.00 O ATOM 0 H TYR B 387 5.979 5.973 -4.992 1.00 0.00 H new ATOM 0 HA TYR B 387 3.851 7.181 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR B 387 4.064 4.791 -5.255 1.00 0.00 H new ATOM 0 HB3 TYR B 387 2.659 5.039 -4.238 1.00 0.00 H new ATOM 0 HD1 TYR B 387 4.787 7.196 -6.449 1.00 0.00 H new ATOM 0 HD2 TYR B 387 0.856 5.989 -5.350 1.00 0.00 H new ATOM 0 HE1 TYR B 387 3.855 8.719 -8.126 1.00 0.00 H new ATOM 0 HE2 TYR B 387 -0.086 7.511 -7.031 1.00 0.00 H new ATOM 0 HH TYR B 387 0.575 9.582 -8.221 1.00 0.00 H new ATOM 1424 N VAL B 388 3.724 5.565 -1.491 1.00 0.00 N ATOM 1425 CA VAL B 388 3.794 4.760 -0.284 1.00 0.00 C ATOM 1426 C VAL B 388 2.441 4.155 0.045 1.00 0.00 C ATOM 1427 O VAL B 388 1.445 4.867 0.181 1.00 0.00 O ATOM 1428 CB VAL B 388 4.282 5.577 0.926 1.00 0.00 C ATOM 1429 CG1 VAL B 388 5.661 5.104 1.350 1.00 0.00 C ATOM 1430 CG2 VAL B 388 4.291 7.065 0.608 1.00 0.00 C ATOM 0 H VAL B 388 3.007 6.290 -1.473 1.00 0.00 H new ATOM 0 HA VAL B 388 4.514 3.966 -0.483 1.00 0.00 H new ATOM 0 HB VAL B 388 3.591 5.420 1.754 1.00 0.00 H new ATOM 0 HG11 VAL B 388 5.998 5.688 2.207 1.00 0.00 H new ATOM 0 HG12 VAL B 388 5.616 4.050 1.624 1.00 0.00 H new ATOM 0 HG13 VAL B 388 6.360 5.234 0.524 1.00 0.00 H new ATOM 0 HG21 VAL B 388 4.639 7.621 1.478 1.00 0.00 H new ATOM 0 HG22 VAL B 388 4.958 7.253 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL B 388 3.282 7.388 0.351 1.00 0.00 H new ATOM 1440 N THR B 389 2.411 2.837 0.178 1.00 0.00 N ATOM 1441 CA THR B 389 1.178 2.137 0.500 1.00 0.00 C ATOM 1442 C THR B 389 0.920 2.184 1.996 1.00 0.00 C ATOM 1443 O THR B 389 1.805 1.884 2.798 1.00 0.00 O ATOM 1444 CB THR B 389 1.217 0.668 0.038 1.00 0.00 C ATOM 1445 OG1 THR B 389 1.072 0.565 -1.384 1.00 0.00 O ATOM 1446 CG2 THR B 389 0.105 -0.143 0.694 1.00 0.00 C ATOM 0 H THR B 389 3.225 2.232 0.068 1.00 0.00 H new ATOM 0 HA THR B 389 0.372 2.643 -0.031 1.00 0.00 H new ATOM 0 HB THR B 389 2.188 0.271 0.335 1.00 0.00 H new ATOM 0 HG1 THR B 389 1.102 -0.378 -1.648 1.00 0.00 H new ATOM 0 HG21 THR B 389 0.156 -1.176 0.350 1.00 0.00 H new ATOM 0 HG22 THR B 389 0.225 -0.115 1.777 1.00 0.00 H new ATOM 0 HG23 THR B 389 -0.862 0.281 0.425 1.00 0.00 H new ATOM 1454 N VAL B 390 -0.291 2.559 2.365 1.00 0.00 N ATOM 1455 CA VAL B 390 -0.659 2.642 3.766 1.00 0.00 C ATOM 1456 C VAL B 390 -2.027 2.020 4.008 1.00 0.00 C ATOM 1457 O VAL B 390 -2.828 1.851 3.082 1.00 0.00 O ATOM 1458 CB VAL B 390 -0.660 4.099 4.259 1.00 0.00 C ATOM 1459 CG1 VAL B 390 0.752 4.663 4.264 1.00 0.00 C ATOM 1460 CG2 VAL B 390 -1.575 4.949 3.396 1.00 0.00 C ATOM 0 H VAL B 390 -1.036 2.811 1.715 1.00 0.00 H new ATOM 0 HA VAL B 390 0.089 2.084 4.329 1.00 0.00 H new ATOM 0 HB VAL B 390 -1.037 4.118 5.282 1.00 0.00 H new ATOM 0 HG11 VAL B 390 0.731 5.694 4.616 1.00 0.00 H new ATOM 0 HG12 VAL B 390 1.380 4.067 4.926 1.00 0.00 H new ATOM 0 HG13 VAL B 390 1.159 4.633 3.253 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -1.565 5.977 3.758 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -1.228 4.924 2.363 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.591 4.557 3.447 1.00 0.00 H new ATOM 1470 N LYS B 391 -2.284 1.670 5.258 1.00 0.00 N ATOM 1471 CA LYS B 391 -3.547 1.058 5.630 1.00 0.00 C ATOM 1472 C LYS B 391 -3.602 -0.388 5.151 1.00 0.00 C ATOM 1473 O LYS B 391 -4.537 -0.782 4.454 1.00 0.00 O ATOM 1474 CB LYS B 391 -4.712 1.859 5.039 1.00 0.00 C ATOM 1475 CG LYS B 391 -6.074 1.558 5.661 1.00 0.00 C ATOM 1476 CD LYS B 391 -5.976 0.609 6.848 1.00 0.00 C ATOM 1477 CE LYS B 391 -7.349 0.264 7.399 1.00 0.00 C ATOM 1478 NZ LYS B 391 -7.287 -0.162 8.824 1.00 0.00 N ATOM 0 H LYS B 391 -1.633 1.800 6.032 1.00 0.00 H new ATOM 0 HA LYS B 391 -3.631 1.063 6.717 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -4.501 2.922 5.157 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -4.765 1.661 3.968 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -6.537 2.491 5.983 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -6.727 1.123 4.905 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -5.465 -0.304 6.544 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -5.372 1.066 7.632 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -8.004 1.130 7.308 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -7.790 -0.534 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -8.245 -0.388 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -6.682 -1.004 8.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -6.891 0.608 9.400 1.00 0.00 H new ATOM 1492 N LYS B 392 -2.583 -1.164 5.528 1.00 0.00 N ATOM 1493 CA LYS B 392 -2.485 -2.574 5.145 1.00 0.00 C ATOM 1494 C LYS B 392 -3.859 -3.171 4.862 1.00 0.00 C ATOM 1495 O LYS B 392 -4.812 -2.931 5.605 1.00 0.00 O ATOM 1496 CB LYS B 392 -1.791 -3.371 6.252 1.00 0.00 C ATOM 1497 CG LYS B 392 -0.433 -2.813 6.649 1.00 0.00 C ATOM 1498 CD LYS B 392 0.521 -2.767 5.465 1.00 0.00 C ATOM 1499 CE LYS B 392 1.946 -3.092 5.886 1.00 0.00 C ATOM 1500 NZ LYS B 392 2.422 -4.371 5.292 1.00 0.00 N ATOM 0 H LYS B 392 -1.808 -0.835 6.103 1.00 0.00 H new ATOM 0 HA LYS B 392 -1.896 -2.632 4.230 1.00 0.00 H new ATOM 0 HB2 LYS B 392 -2.436 -3.393 7.131 1.00 0.00 H new ATOM 0 HB3 LYS B 392 -1.668 -4.402 5.922 1.00 0.00 H new ATOM 0 HG2 LYS B 392 -0.556 -1.810 7.057 1.00 0.00 H new ATOM 0 HG3 LYS B 392 -0.003 -3.428 7.440 1.00 0.00 H new ATOM 0 HD2 LYS B 392 0.194 -3.477 4.705 1.00 0.00 H new ATOM 0 HD3 LYS B 392 0.491 -1.777 5.010 1.00 0.00 H new ATOM 0 HE2 LYS B 392 2.608 -2.282 5.582 1.00 0.00 H new ATOM 0 HE3 LYS B 392 1.998 -3.155 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 392 3.397 -4.557 5.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 392 1.805 -5.149 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 392 2.397 -4.303 4.255 1.00 0.00 H new ATOM 1514 N PRO B 393 -3.987 -3.953 3.778 1.00 0.00 N ATOM 1515 CA PRO B 393 -5.258 -4.571 3.408 1.00 0.00 C ATOM 1516 C PRO B 393 -5.691 -5.651 4.390 1.00 0.00 C ATOM 1517 O PRO B 393 -4.889 -6.172 5.164 1.00 0.00 O ATOM 1518 CB PRO B 393 -5.002 -5.188 2.031 1.00 0.00 C ATOM 1519 CG PRO B 393 -3.668 -4.678 1.589 1.00 0.00 C ATOM 1520 CD PRO B 393 -2.916 -4.291 2.833 1.00 0.00 C ATOM 0 HA PRO B 393 -6.062 -3.835 3.410 1.00 0.00 H new ATOM 0 HB2 PRO B 393 -5.004 -6.277 2.085 1.00 0.00 H new ATOM 0 HB3 PRO B 393 -5.782 -4.902 1.325 1.00 0.00 H new ATOM 0 HG2 PRO B 393 -3.127 -5.443 1.033 1.00 0.00 H new ATOM 0 HG3 PRO B 393 -3.782 -3.822 0.924 1.00 0.00 H new ATOM 0 HD2 PRO B 393 -2.297 -5.109 3.201 1.00 0.00 H new ATOM 0 HD3 PRO B 393 -2.253 -3.444 2.656 1.00 0.00 H new ATOM 1528 N THR B 394 -6.975 -5.962 4.351 1.00 0.00 N ATOM 1529 CA THR B 394 -7.552 -6.965 5.238 1.00 0.00 C ATOM 1530 C THR B 394 -8.335 -8.020 4.467 1.00 0.00 C ATOM 1531 O THR B 394 -8.779 -7.783 3.343 1.00 0.00 O ATOM 1532 CB THR B 394 -8.491 -6.314 6.271 1.00 0.00 C ATOM 1533 OG1 THR B 394 -9.218 -5.220 5.695 1.00 0.00 O ATOM 1534 CG2 THR B 394 -7.710 -5.794 7.466 1.00 0.00 C ATOM 0 H THR B 394 -7.644 -5.533 3.711 1.00 0.00 H new ATOM 0 HA THR B 394 -6.716 -7.445 5.748 1.00 0.00 H new ATOM 0 HB THR B 394 -9.189 -7.086 6.594 1.00 0.00 H new ATOM 0 HG1 THR B 394 -9.807 -4.826 6.372 1.00 0.00 H new ATOM 0 HG21 THR B 394 -8.397 -5.339 8.180 1.00 0.00 H new ATOM 0 HG22 THR B 394 -7.184 -6.620 7.944 1.00 0.00 H new ATOM 0 HG23 THR B 394 -6.988 -5.049 7.132 1.00 0.00 H new ATOM 1542 N ALA B 395 -8.522 -9.181 5.092 1.00 0.00 N ATOM 1543 CA ALA B 395 -9.276 -10.266 4.478 1.00 0.00 C ATOM 1544 C ALA B 395 -10.763 -10.111 4.777 1.00 0.00 C ATOM 1545 O ALA B 395 -11.555 -11.032 4.571 1.00 0.00 O ATOM 1546 CB ALA B 395 -8.779 -11.620 4.953 1.00 0.00 C ATOM 0 H ALA B 395 -8.161 -9.392 6.022 1.00 0.00 H new ATOM 0 HA ALA B 395 -9.125 -10.214 3.400 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -9.361 -12.409 4.477 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -7.728 -11.735 4.688 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -8.890 -11.689 6.035 1.00 0.00 H new ATOM 1552 N VAL B 396 -11.128 -8.924 5.240 1.00 0.00 N ATOM 1553 CA VAL B 396 -12.509 -8.590 5.548 1.00 0.00 C ATOM 1554 C VAL B 396 -12.785 -7.148 5.130 1.00 0.00 C ATOM 1555 O VAL B 396 -13.782 -6.543 5.522 1.00 0.00 O ATOM 1556 CB VAL B 396 -12.812 -8.757 7.047 1.00 0.00 C ATOM 1557 CG1 VAL B 396 -12.701 -10.219 7.455 1.00 0.00 C ATOM 1558 CG2 VAL B 396 -11.875 -7.892 7.874 1.00 0.00 C ATOM 0 H VAL B 396 -10.471 -8.163 5.413 1.00 0.00 H new ATOM 0 HA VAL B 396 -13.154 -9.274 4.997 1.00 0.00 H new ATOM 0 HB VAL B 396 -13.835 -8.430 7.234 1.00 0.00 H new ATOM 0 HG11 VAL B 396 -12.919 -10.317 8.518 1.00 0.00 H new ATOM 0 HG12 VAL B 396 -13.414 -10.812 6.882 1.00 0.00 H new ATOM 0 HG13 VAL B 396 -11.690 -10.576 7.257 1.00 0.00 H new ATOM 0 HG21 VAL B 396 -12.101 -8.020 8.933 1.00 0.00 H new ATOM 0 HG22 VAL B 396 -10.843 -8.189 7.684 1.00 0.00 H new ATOM 0 HG23 VAL B 396 -12.008 -6.846 7.599 1.00 0.00 H new ATOM 1568 N ASP B 397 -11.866 -6.616 4.328 1.00 0.00 N ATOM 1569 CA ASP B 397 -11.944 -5.252 3.824 1.00 0.00 C ATOM 1570 C ASP B 397 -10.614 -4.878 3.173 1.00 0.00 C ATOM 1571 O ASP B 397 -9.931 -3.953 3.614 1.00 0.00 O ATOM 1572 CB ASP B 397 -12.271 -4.277 4.956 1.00 0.00 C ATOM 1573 CG ASP B 397 -13.687 -3.741 4.869 1.00 0.00 C ATOM 1574 OD1 ASP B 397 -14.581 -4.494 4.426 1.00 0.00 O ATOM 1575 OD2 ASP B 397 -13.904 -2.570 5.243 1.00 0.00 O ATOM 0 H ASP B 397 -11.042 -7.125 4.009 1.00 0.00 H new ATOM 0 HA ASP B 397 -12.741 -5.191 3.083 1.00 0.00 H new ATOM 0 HB2 ASP B 397 -12.134 -4.778 5.914 1.00 0.00 H new ATOM 0 HB3 ASP B 397 -11.568 -3.444 4.928 1.00 0.00 H new ATOM 1580 N PRO B 398 -10.227 -5.615 2.119 1.00 0.00 N ATOM 1581 CA PRO B 398 -8.969 -5.393 1.399 1.00 0.00 C ATOM 1582 C PRO B 398 -8.657 -3.918 1.172 1.00 0.00 C ATOM 1583 O PRO B 398 -7.492 -3.523 1.120 1.00 0.00 O ATOM 1584 CB PRO B 398 -9.217 -6.099 0.069 1.00 0.00 C ATOM 1585 CG PRO B 398 -10.125 -7.229 0.415 1.00 0.00 C ATOM 1586 CD PRO B 398 -10.993 -6.743 1.547 1.00 0.00 C ATOM 0 HA PRO B 398 -8.110 -5.765 1.957 1.00 0.00 H new ATOM 0 HB2 PRO B 398 -9.676 -5.428 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO B 398 -8.286 -6.457 -0.371 1.00 0.00 H new ATOM 0 HG2 PRO B 398 -10.731 -7.517 -0.444 1.00 0.00 H new ATOM 0 HG3 PRO B 398 -9.555 -8.109 0.713 1.00 0.00 H new ATOM 0 HD2 PRO B 398 -11.972 -6.422 1.191 1.00 0.00 H new ATOM 0 HD3 PRO B 398 -11.163 -7.526 2.286 1.00 0.00 H new ATOM 1594 N ASN B 399 -9.705 -3.115 1.028 1.00 0.00 N ATOM 1595 CA ASN B 399 -9.566 -1.681 0.795 1.00 0.00 C ATOM 1596 C ASN B 399 -8.279 -1.130 1.403 1.00 0.00 C ATOM 1597 O ASN B 399 -8.069 -1.202 2.615 1.00 0.00 O ATOM 1598 CB ASN B 399 -10.772 -0.935 1.364 1.00 0.00 C ATOM 1599 CG ASN B 399 -11.022 -1.274 2.818 1.00 0.00 C ATOM 1600 OD1 ASN B 399 -11.772 -2.197 3.133 1.00 0.00 O ATOM 1601 ND2 ASN B 399 -10.390 -0.526 3.714 1.00 0.00 N ATOM 0 H ASN B 399 -10.672 -3.437 1.069 1.00 0.00 H new ATOM 0 HA ASN B 399 -9.518 -1.527 -0.283 1.00 0.00 H new ATOM 0 HB2 ASN B 399 -10.612 0.139 1.266 1.00 0.00 H new ATOM 0 HB3 ASN B 399 -11.658 -1.180 0.778 1.00 0.00 H new ATOM 0 HD21 ASN B 399 -10.517 -0.707 4.710 1.00 0.00 H new ATOM 0 HD22 ASN B 399 -9.777 0.229 3.407 1.00 0.00 H new ATOM 1608 N SER B 400 -7.422 -0.579 0.550 1.00 0.00 N ATOM 1609 CA SER B 400 -6.152 -0.007 0.989 1.00 0.00 C ATOM 1610 C SER B 400 -5.955 1.382 0.392 1.00 0.00 C ATOM 1611 O SER B 400 -6.446 1.672 -0.699 1.00 0.00 O ATOM 1612 CB SER B 400 -4.991 -0.919 0.587 1.00 0.00 C ATOM 1613 OG SER B 400 -3.942 -0.176 -0.009 1.00 0.00 O ATOM 0 H SER B 400 -7.584 -0.516 -0.455 1.00 0.00 H new ATOM 0 HA SER B 400 -6.173 0.080 2.075 1.00 0.00 H new ATOM 0 HB2 SER B 400 -4.616 -1.444 1.466 1.00 0.00 H new ATOM 0 HB3 SER B 400 -5.345 -1.678 -0.111 1.00 0.00 H new ATOM 0 HG SER B 400 -3.212 -0.781 -0.256 1.00 0.00 H new ATOM 1619 N ILE B 401 -5.235 2.239 1.111 1.00 0.00 N ATOM 1620 CA ILE B 401 -4.980 3.592 0.649 1.00 0.00 C ATOM 1621 C ILE B 401 -3.525 3.735 0.204 1.00 0.00 C ATOM 1622 O ILE B 401 -2.641 3.050 0.717 1.00 0.00 O ATOM 1623 CB ILE B 401 -5.325 4.611 1.756 1.00 0.00 C ATOM 1624 CG1 ILE B 401 -4.798 6.010 1.428 1.00 0.00 C ATOM 1625 CG2 ILE B 401 -4.784 4.142 3.091 1.00 0.00 C ATOM 1626 CD1 ILE B 401 -5.870 7.075 1.447 1.00 0.00 C ATOM 0 H ILE B 401 -4.820 2.016 2.016 1.00 0.00 H new ATOM 0 HA ILE B 401 -5.619 3.797 -0.210 1.00 0.00 H new ATOM 0 HB ILE B 401 -6.411 4.676 1.815 1.00 0.00 H new ATOM 0 HG12 ILE B 401 -4.021 6.275 2.145 1.00 0.00 H new ATOM 0 HG13 ILE B 401 -4.331 5.993 0.443 1.00 0.00 H new ATOM 0 HG21 ILE B 401 -5.035 4.871 3.862 1.00 0.00 H new ATOM 0 HG22 ILE B 401 -5.226 3.179 3.345 1.00 0.00 H new ATOM 0 HG23 ILE B 401 -3.701 4.039 3.029 1.00 0.00 H new ATOM 0 HD11 ILE B 401 -5.427 8.041 1.206 1.00 0.00 H new ATOM 0 HD12 ILE B 401 -6.636 6.833 0.710 1.00 0.00 H new ATOM 0 HD13 ILE B 401 -6.321 7.120 2.438 1.00 0.00 H new ATOM 1638 N VAL B 402 -3.285 4.624 -0.753 1.00 0.00 N ATOM 1639 CA VAL B 402 -1.945 4.861 -1.276 1.00 0.00 C ATOM 1640 C VAL B 402 -1.557 6.322 -1.095 1.00 0.00 C ATOM 1641 O VAL B 402 -2.423 7.196 -1.061 1.00 0.00 O ATOM 1642 CB VAL B 402 -1.860 4.514 -2.778 1.00 0.00 C ATOM 1643 CG1 VAL B 402 -0.576 3.771 -3.096 1.00 0.00 C ATOM 1644 CG2 VAL B 402 -3.071 3.701 -3.215 1.00 0.00 C ATOM 0 H VAL B 402 -4.009 5.198 -1.186 1.00 0.00 H new ATOM 0 HA VAL B 402 -1.261 4.219 -0.720 1.00 0.00 H new ATOM 0 HB VAL B 402 -1.855 5.450 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL B 402 -0.544 3.540 -4.161 1.00 0.00 H new ATOM 0 HG12 VAL B 402 0.279 4.394 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL B 402 -0.540 2.845 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL B 402 -2.989 3.468 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL B 402 -3.113 2.774 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL B 402 -3.979 4.278 -3.039 1.00 0.00 H new ATOM 1654 N GLU B 403 -0.258 6.595 -0.997 1.00 0.00 N ATOM 1655 CA GLU B 403 0.219 7.962 -0.840 1.00 0.00 C ATOM 1656 C GLU B 403 1.204 8.305 -1.949 1.00 0.00 C ATOM 1657 O GLU B 403 2.123 7.540 -2.235 1.00 0.00 O ATOM 1658 CB GLU B 403 0.885 8.141 0.527 1.00 0.00 C ATOM 1659 CG GLU B 403 -0.029 8.765 1.567 1.00 0.00 C ATOM 1660 CD GLU B 403 0.715 9.189 2.818 1.00 0.00 C ATOM 1661 OE1 GLU B 403 1.571 10.094 2.722 1.00 0.00 O ATOM 1662 OE2 GLU B 403 0.442 8.617 3.894 1.00 0.00 O ATOM 0 H GLU B 403 0.478 5.890 -1.024 1.00 0.00 H new ATOM 0 HA GLU B 403 -0.635 8.637 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU B 403 1.224 7.170 0.888 1.00 0.00 H new ATOM 0 HB3 GLU B 403 1.771 8.765 0.412 1.00 0.00 H new ATOM 0 HG2 GLU B 403 -0.527 9.632 1.134 1.00 0.00 H new ATOM 0 HG3 GLU B 403 -0.808 8.051 1.836 1.00 0.00 H new ATOM 1669 N CYS B 404 1.015 9.462 -2.562 1.00 0.00 N ATOM 1670 CA CYS B 404 1.894 9.911 -3.630 1.00 0.00 C ATOM 1671 C CYS B 404 2.621 11.172 -3.198 1.00 0.00 C ATOM 1672 O CYS B 404 1.992 12.204 -2.968 1.00 0.00 O ATOM 1673 CB CYS B 404 1.099 10.172 -4.913 1.00 0.00 C ATOM 1674 SG CYS B 404 -0.687 10.316 -4.664 1.00 0.00 S ATOM 0 H CYS B 404 0.259 10.109 -2.338 1.00 0.00 H new ATOM 0 HA CYS B 404 2.624 9.128 -3.835 1.00 0.00 H new ATOM 0 HB2 CYS B 404 1.465 11.090 -5.373 1.00 0.00 H new ATOM 0 HB3 CYS B 404 1.292 9.363 -5.617 1.00 0.00 H new ATOM 0 HG CYS B 404 -1.302 10.071 -5.783 1.00 0.00 H new ATOM 1680 N ARG B 405 3.942 11.085 -3.070 1.00 0.00 N ATOM 1681 CA ARG B 405 4.726 12.232 -2.645 1.00 0.00 C ATOM 1682 C ARG B 405 6.073 12.280 -3.353 1.00 0.00 C ATOM 1683 O ARG B 405 6.283 11.617 -4.368 1.00 0.00 O ATOM 1684 CB ARG B 405 4.930 12.203 -1.127 1.00 0.00 C ATOM 1685 CG ARG B 405 6.155 11.417 -0.686 1.00 0.00 C ATOM 1686 CD ARG B 405 6.064 11.019 0.780 1.00 0.00 C ATOM 1687 NE ARG B 405 7.025 11.746 1.606 1.00 0.00 N ATOM 1688 CZ ARG B 405 7.236 11.485 2.893 1.00 0.00 C ATOM 1689 NH1 ARG B 405 6.564 10.515 3.496 1.00 0.00 N ATOM 1690 NH2 ARG B 405 8.121 12.196 3.578 1.00 0.00 N ATOM 0 H ARG B 405 4.484 10.240 -3.253 1.00 0.00 H new ATOM 0 HA ARG B 405 4.172 13.131 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG B 405 5.016 13.226 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG B 405 4.045 11.771 -0.659 1.00 0.00 H new ATOM 0 HG2 ARG B 405 6.256 10.523 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG B 405 7.051 12.017 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG B 405 5.055 11.210 1.145 1.00 0.00 H new ATOM 0 HD3 ARG B 405 6.241 9.948 0.876 1.00 0.00 H new ATOM 0 HE ARG B 405 7.564 12.495 1.172 1.00 0.00 H new ATOM 0 HH11 ARG B 405 5.882 9.966 2.973 1.00 0.00 H new ATOM 0 HH12 ARG B 405 6.729 10.318 4.483 1.00 0.00 H new ATOM 0 HH21 ARG B 405 8.640 12.944 3.118 1.00 0.00 H new ATOM 0 HH22 ARG B 405 8.282 11.995 4.565 1.00 0.00 H new ATOM 1704 N VAL B 406 6.977 13.082 -2.807 1.00 0.00 N ATOM 1705 CA VAL B 406 8.304 13.241 -3.379 1.00 0.00 C ATOM 1706 C VAL B 406 9.354 13.444 -2.293 1.00 0.00 C ATOM 1707 O VAL B 406 9.085 14.079 -1.271 1.00 0.00 O ATOM 1708 CB VAL B 406 8.338 14.434 -4.347 1.00 0.00 C ATOM 1709 CG1 VAL B 406 8.048 13.979 -5.765 1.00 0.00 C ATOM 1710 CG2 VAL B 406 7.332 15.481 -3.912 1.00 0.00 C ATOM 0 H VAL B 406 6.813 13.634 -1.965 1.00 0.00 H new ATOM 0 HA VAL B 406 8.535 12.326 -3.924 1.00 0.00 H new ATOM 0 HB VAL B 406 9.336 14.873 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL B 406 8.076 14.838 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL B 406 8.799 13.252 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL B 406 7.060 13.520 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL B 406 7.362 16.324 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL B 406 6.332 15.047 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL B 406 7.578 15.826 -2.908 1.00 0.00 H new ATOM 1720 N GLY B 407 10.543 12.893 -2.528 1.00 0.00 N ATOM 1721 CA GLY B 407 11.636 13.002 -1.577 1.00 0.00 C ATOM 1722 C GLY B 407 11.679 14.339 -0.863 1.00 0.00 C ATOM 1723 O GLY B 407 12.127 14.423 0.281 1.00 0.00 O ATOM 0 H GLY B 407 10.770 12.367 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY B 407 11.546 12.206 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY B 407 12.580 12.846 -2.100 1.00 0.00 H new ATOM 1727 N ASP B 408 11.216 15.386 -1.534 1.00 0.00 N ATOM 1728 CA ASP B 408 11.207 16.723 -0.951 1.00 0.00 C ATOM 1729 C ASP B 408 10.248 16.794 0.232 1.00 0.00 C ATOM 1730 O ASP B 408 10.203 17.795 0.947 1.00 0.00 O ATOM 1731 CB ASP B 408 10.808 17.756 -2.006 1.00 0.00 C ATOM 1732 CG ASP B 408 10.450 19.094 -1.395 1.00 0.00 C ATOM 1733 OD1 ASP B 408 9.273 19.279 -1.020 1.00 0.00 O ATOM 1734 OD2 ASP B 408 11.346 19.959 -1.289 1.00 0.00 O ATOM 0 H ASP B 408 10.842 15.336 -2.482 1.00 0.00 H new ATOM 0 HA ASP B 408 12.213 16.945 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP B 408 11.630 17.889 -2.710 1.00 0.00 H new ATOM 0 HB3 ASP B 408 9.958 17.380 -2.576 1.00 0.00 H new ATOM 1739 N GLY B 409 9.477 15.729 0.426 1.00 0.00 N ATOM 1740 CA GLY B 409 8.522 15.692 1.511 1.00 0.00 C ATOM 1741 C GLY B 409 7.202 16.307 1.107 1.00 0.00 C ATOM 1742 O GLY B 409 6.581 17.031 1.886 1.00 0.00 O ATOM 0 H GLY B 409 9.499 14.889 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY B 409 8.364 14.660 1.823 1.00 0.00 H new ATOM 0 HA3 GLY B 409 8.926 16.226 2.371 1.00 0.00 H new ATOM 1746 N THR B 410 6.780 16.033 -0.124 1.00 0.00 N ATOM 1747 CA THR B 410 5.530 16.587 -0.633 1.00 0.00 C ATOM 1748 C THR B 410 4.624 15.516 -1.228 1.00 0.00 C ATOM 1749 O THR B 410 4.961 14.892 -2.231 1.00 0.00 O ATOM 1750 CB THR B 410 5.790 17.660 -1.708 1.00 0.00 C ATOM 1751 OG1 THR B 410 6.464 18.798 -1.158 1.00 0.00 O ATOM 1752 CG2 THR B 410 4.485 18.129 -2.334 1.00 0.00 C ATOM 0 H THR B 410 7.280 15.436 -0.782 1.00 0.00 H new ATOM 0 HA THR B 410 5.030 17.035 0.225 1.00 0.00 H new ATOM 0 HB THR B 410 6.421 17.199 -2.468 1.00 0.00 H new ATOM 0 HG1 THR B 410 7.433 18.681 -1.251 1.00 0.00 H new ATOM 0 HG21 THR B 410 4.695 18.886 -3.089 1.00 0.00 H new ATOM 0 HG22 THR B 410 3.980 17.283 -2.799 1.00 0.00 H new ATOM 0 HG23 THR B 410 3.844 18.555 -1.562 1.00 0.00 H new ATOM 1760 N VAL B 411 3.459 15.333 -0.611 1.00 0.00 N ATOM 1761 CA VAL B 411 2.475 14.365 -1.081 1.00 0.00 C ATOM 1762 C VAL B 411 1.588 15.002 -2.145 1.00 0.00 C ATOM 1763 O VAL B 411 0.783 15.883 -1.843 1.00 0.00 O ATOM 1764 CB VAL B 411 1.590 13.858 0.073 1.00 0.00 C ATOM 1765 CG1 VAL B 411 0.397 13.081 -0.466 1.00 0.00 C ATOM 1766 CG2 VAL B 411 2.403 13.004 1.033 1.00 0.00 C ATOM 0 H VAL B 411 3.173 15.848 0.222 1.00 0.00 H new ATOM 0 HA VAL B 411 3.017 13.518 -1.502 1.00 0.00 H new ATOM 0 HB VAL B 411 1.212 14.721 0.621 1.00 0.00 H new ATOM 0 HG11 VAL B 411 -0.215 12.732 0.365 1.00 0.00 H new ATOM 0 HG12 VAL B 411 -0.199 13.729 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL B 411 0.750 12.225 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL B 411 1.761 12.655 1.842 1.00 0.00 H new ATOM 0 HG22 VAL B 411 2.813 12.147 0.499 1.00 0.00 H new ATOM 0 HG23 VAL B 411 3.218 13.598 1.447 1.00 0.00 H new ATOM 1776 N LEU B 412 1.731 14.553 -3.387 1.00 0.00 N ATOM 1777 CA LEU B 412 0.930 15.088 -4.479 1.00 0.00 C ATOM 1778 C LEU B 412 -0.540 14.766 -4.262 1.00 0.00 C ATOM 1779 O LEU B 412 -1.417 15.558 -4.606 1.00 0.00 O ATOM 1780 CB LEU B 412 1.395 14.525 -5.827 1.00 0.00 C ATOM 1781 CG LEU B 412 2.905 14.601 -6.098 1.00 0.00 C ATOM 1782 CD1 LEU B 412 3.518 15.850 -5.482 1.00 0.00 C ATOM 1783 CD2 LEU B 412 3.606 13.361 -5.569 1.00 0.00 C ATOM 0 H LEU B 412 2.390 13.824 -3.661 1.00 0.00 H new ATOM 0 HA LEU B 412 1.060 16.170 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU B 412 1.086 13.482 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU B 412 0.875 15.060 -6.622 1.00 0.00 H new ATOM 0 HG LEU B 412 3.043 14.653 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU B 412 4.587 15.872 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU B 412 3.046 16.735 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU B 412 3.361 15.838 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU B 412 4.675 13.433 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU B 412 3.444 13.282 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU B 412 3.203 12.477 -6.063 1.00 0.00 H new ATOM 1795 N GLY B 413 -0.807 13.599 -3.685 1.00 0.00 N ATOM 1796 CA GLY B 413 -2.179 13.203 -3.431 1.00 0.00 C ATOM 1797 C GLY B 413 -2.279 11.885 -2.691 1.00 0.00 C ATOM 1798 O GLY B 413 -1.356 11.490 -1.979 1.00 0.00 O ATOM 0 H GLY B 413 -0.102 12.924 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY B 413 -2.676 13.980 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY B 413 -2.712 13.124 -4.379 1.00 0.00 H new ATOM 1802 N THR B 414 -3.406 11.203 -2.863 1.00 0.00 N ATOM 1803 CA THR B 414 -3.636 9.921 -2.209 1.00 0.00 C ATOM 1804 C THR B 414 -4.934 9.291 -2.698 1.00 0.00 C ATOM 1805 O THR B 414 -5.730 9.939 -3.377 1.00 0.00 O ATOM 1806 CB THR B 414 -3.694 10.070 -0.678 1.00 0.00 C ATOM 1807 OG1 THR B 414 -3.782 8.794 -0.033 1.00 0.00 O ATOM 1808 CG2 THR B 414 -4.895 10.907 -0.261 1.00 0.00 C ATOM 0 H THR B 414 -4.177 11.518 -3.452 1.00 0.00 H new ATOM 0 HA THR B 414 -2.797 9.275 -2.467 1.00 0.00 H new ATOM 0 HB THR B 414 -2.773 10.566 -0.372 1.00 0.00 H new ATOM 0 HG1 THR B 414 -2.990 8.261 -0.254 1.00 0.00 H new ATOM 0 HG21 THR B 414 -4.915 10.999 0.825 1.00 0.00 H new ATOM 0 HG22 THR B 414 -4.820 11.899 -0.707 1.00 0.00 H new ATOM 0 HG23 THR B 414 -5.811 10.424 -0.601 1.00 0.00 H new ATOM 1816 N GLY B 415 -5.147 8.025 -2.353 1.00 0.00 N ATOM 1817 CA GLY B 415 -6.357 7.342 -2.775 1.00 0.00 C ATOM 1818 C GLY B 415 -6.580 6.028 -2.051 1.00 0.00 C ATOM 1819 O GLY B 415 -5.687 5.519 -1.379 1.00 0.00 O ATOM 0 H GLY B 415 -4.508 7.462 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY B 415 -7.214 7.994 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY B 415 -6.307 7.155 -3.848 1.00 0.00 H new ATOM 1823 N VAL B 416 -7.783 5.481 -2.194 1.00 0.00 N ATOM 1824 CA VAL B 416 -8.144 4.217 -1.562 1.00 0.00 C ATOM 1825 C VAL B 416 -9.027 3.390 -2.493 1.00 0.00 C ATOM 1826 O VAL B 416 -9.764 3.943 -3.310 1.00 0.00 O ATOM 1827 CB VAL B 416 -8.880 4.449 -0.227 1.00 0.00 C ATOM 1828 CG1 VAL B 416 -10.360 4.725 -0.461 1.00 0.00 C ATOM 1829 CG2 VAL B 416 -8.691 3.258 0.704 1.00 0.00 C ATOM 0 H VAL B 416 -8.531 5.898 -2.748 1.00 0.00 H new ATOM 0 HA VAL B 416 -7.221 3.674 -1.359 1.00 0.00 H new ATOM 0 HB VAL B 416 -8.447 5.328 0.251 1.00 0.00 H new ATOM 0 HG11 VAL B 416 -10.856 4.885 0.496 1.00 0.00 H new ATOM 0 HG12 VAL B 416 -10.471 5.615 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL B 416 -10.814 3.873 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL B 416 -9.218 3.441 1.641 1.00 0.00 H new ATOM 0 HG22 VAL B 416 -9.091 2.360 0.232 1.00 0.00 H new ATOM 0 HG23 VAL B 416 -7.629 3.119 0.906 1.00 0.00 H new ATOM 1839 N GLY B 417 -8.954 2.070 -2.372 1.00 0.00 N ATOM 1840 CA GLY B 417 -9.759 1.210 -3.222 1.00 0.00 C ATOM 1841 C GLY B 417 -9.924 -0.189 -2.660 1.00 0.00 C ATOM 1842 O GLY B 417 -9.001 -0.735 -2.059 1.00 0.00 O ATOM 0 H GLY B 417 -8.356 1.581 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -10.743 1.660 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -9.298 1.148 -4.208 1.00 0.00 H new ATOM 1846 N ARG B 418 -11.110 -0.762 -2.861 1.00 0.00 N ATOM 1847 CA ARG B 418 -11.427 -2.105 -2.371 1.00 0.00 C ATOM 1848 C ARG B 418 -10.437 -3.153 -2.876 1.00 0.00 C ATOM 1849 O ARG B 418 -9.930 -3.960 -2.100 1.00 0.00 O ATOM 1850 CB ARG B 418 -12.846 -2.491 -2.789 1.00 0.00 C ATOM 1851 CG ARG B 418 -13.048 -2.518 -4.295 1.00 0.00 C ATOM 1852 CD ARG B 418 -14.497 -2.248 -4.667 1.00 0.00 C ATOM 1853 NE ARG B 418 -14.639 -1.862 -6.067 1.00 0.00 N ATOM 1854 CZ ARG B 418 -15.812 -1.700 -6.670 1.00 0.00 C ATOM 1855 NH1 ARG B 418 -16.938 -1.877 -5.992 1.00 0.00 N ATOM 1856 NH2 ARG B 418 -15.860 -1.357 -7.950 1.00 0.00 N ATOM 0 H ARG B 418 -11.875 -0.313 -3.365 1.00 0.00 H new ATOM 0 HA ARG B 418 -11.353 -2.080 -1.284 1.00 0.00 H new ATOM 0 HB2 ARG B 418 -13.082 -3.474 -2.381 1.00 0.00 H new ATOM 0 HB3 ARG B 418 -13.551 -1.786 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG B 418 -12.406 -1.772 -4.763 1.00 0.00 H new ATOM 0 HG3 ARG B 418 -12.746 -3.489 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG B 418 -15.093 -3.140 -4.475 1.00 0.00 H new ATOM 0 HD3 ARG B 418 -14.893 -1.457 -4.031 1.00 0.00 H new ATOM 0 HE ARG B 418 -13.791 -1.708 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG B 418 -16.904 -2.138 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG B 418 -17.838 -1.752 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG B 418 -14.996 -1.217 -8.473 1.00 0.00 H new ATOM 0 HH22 ARG B 418 -16.761 -1.233 -8.411 1.00 0.00 H new ATOM 1870 N ASN B 419 -10.148 -3.123 -4.171 1.00 0.00 N ATOM 1871 CA ASN B 419 -9.200 -4.056 -4.764 1.00 0.00 C ATOM 1872 C ASN B 419 -7.860 -3.367 -4.928 1.00 0.00 C ATOM 1873 O ASN B 419 -7.117 -3.653 -5.861 1.00 0.00 O ATOM 1874 CB ASN B 419 -9.703 -4.552 -6.119 1.00 0.00 C ATOM 1875 CG ASN B 419 -10.571 -3.529 -6.825 1.00 0.00 C ATOM 1876 OD1 ASN B 419 -11.763 -3.407 -6.541 1.00 0.00 O ATOM 1877 ND2 ASN B 419 -9.976 -2.785 -7.750 1.00 0.00 N ATOM 0 H ASN B 419 -10.557 -2.462 -4.831 1.00 0.00 H new ATOM 0 HA ASN B 419 -9.093 -4.918 -4.106 1.00 0.00 H new ATOM 0 HB2 ASN B 419 -8.850 -4.799 -6.751 1.00 0.00 H new ATOM 0 HB3 ASN B 419 -10.272 -5.471 -5.978 1.00 0.00 H new ATOM 0 HD21 ASN B 419 -10.509 -2.079 -8.257 1.00 0.00 H new ATOM 0 HD22 ASN B 419 -8.986 -2.920 -7.953 1.00 0.00 H new ATOM 1884 N ILE B 420 -7.570 -2.490 -3.970 1.00 0.00 N ATOM 1885 CA ILE B 420 -6.323 -1.721 -3.893 1.00 0.00 C ATOM 1886 C ILE B 420 -5.870 -1.062 -5.205 1.00 0.00 C ATOM 1887 O ILE B 420 -5.481 0.103 -5.197 1.00 0.00 O ATOM 1888 CB ILE B 420 -5.173 -2.568 -3.327 1.00 0.00 C ATOM 1889 CG1 ILE B 420 -4.443 -3.334 -4.437 1.00 0.00 C ATOM 1890 CG2 ILE B 420 -5.705 -3.527 -2.269 1.00 0.00 C ATOM 1891 CD1 ILE B 420 -3.456 -2.487 -5.216 1.00 0.00 C ATOM 0 H ILE B 420 -8.211 -2.287 -3.203 1.00 0.00 H new ATOM 0 HA ILE B 420 -6.567 -0.904 -3.214 1.00 0.00 H new ATOM 0 HB ILE B 420 -4.450 -1.896 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE B 420 -3.914 -4.179 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE B 420 -5.180 -3.745 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE B 420 -4.883 -4.124 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE B 420 -6.163 -2.958 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE B 420 -6.449 -4.186 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE B 420 -2.979 -3.097 -5.983 1.00 0.00 H new ATOM 0 HD12 ILE B 420 -3.982 -1.657 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE B 420 -2.696 -2.097 -4.538 1.00 0.00 H new ATOM 1903 N LYS B 421 -5.890 -1.785 -6.322 1.00 0.00 N ATOM 1904 CA LYS B 421 -5.453 -1.210 -7.582 1.00 0.00 C ATOM 1905 C LYS B 421 -6.071 0.163 -7.740 1.00 0.00 C ATOM 1906 O LYS B 421 -5.379 1.137 -8.032 1.00 0.00 O ATOM 1907 CB LYS B 421 -5.815 -2.130 -8.753 1.00 0.00 C ATOM 1908 CG LYS B 421 -6.262 -1.405 -10.009 1.00 0.00 C ATOM 1909 CD LYS B 421 -7.690 -0.917 -9.876 1.00 0.00 C ATOM 1910 CE LYS B 421 -8.467 -1.100 -11.168 1.00 0.00 C ATOM 1911 NZ LYS B 421 -9.821 -0.487 -11.092 1.00 0.00 N ATOM 0 H LYS B 421 -6.200 -2.755 -6.377 1.00 0.00 H new ATOM 0 HA LYS B 421 -4.368 -1.107 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS B 421 -4.950 -2.748 -8.994 1.00 0.00 H new ATOM 0 HB3 LYS B 421 -6.610 -2.805 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS B 421 -5.601 -0.559 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS B 421 -6.181 -2.073 -10.867 1.00 0.00 H new ATOM 0 HD2 LYS B 421 -8.187 -1.460 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS B 421 -7.690 0.137 -9.597 1.00 0.00 H new ATOM 0 HE2 LYS B 421 -7.912 -0.653 -11.992 1.00 0.00 H new ATOM 0 HE3 LYS B 421 -8.562 -2.163 -11.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 421 -10.319 -0.633 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS B 421 -10.360 -0.931 -10.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 421 -9.731 0.533 -10.908 1.00 0.00 H new ATOM 1925 N ILE B 422 -7.374 0.244 -7.508 1.00 0.00 N ATOM 1926 CA ILE B 422 -8.057 1.524 -7.592 1.00 0.00 C ATOM 1927 C ILE B 422 -7.259 2.528 -6.802 1.00 0.00 C ATOM 1928 O ILE B 422 -7.079 3.662 -7.221 1.00 0.00 O ATOM 1929 CB ILE B 422 -9.494 1.498 -7.029 1.00 0.00 C ATOM 1930 CG1 ILE B 422 -10.009 0.070 -6.912 1.00 0.00 C ATOM 1931 CG2 ILE B 422 -10.418 2.336 -7.895 1.00 0.00 C ATOM 1932 CD1 ILE B 422 -9.497 -0.636 -5.679 1.00 0.00 C ATOM 0 H ILE B 422 -7.969 -0.548 -7.264 1.00 0.00 H new ATOM 0 HA ILE B 422 -8.134 1.782 -8.648 1.00 0.00 H new ATOM 0 HB ILE B 422 -9.476 1.929 -6.028 1.00 0.00 H new ATOM 0 HG12 ILE B 422 -11.099 0.082 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE B 422 -9.712 -0.492 -7.797 1.00 0.00 H new ATOM 0 HG21 ILE B 422 -11.427 2.307 -7.484 1.00 0.00 H new ATOM 0 HG22 ILE B 422 -10.063 3.367 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE B 422 -10.427 1.937 -8.909 1.00 0.00 H new ATOM 0 HD11 ILE B 422 -9.896 -1.650 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE B 422 -8.408 -0.676 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE B 422 -9.816 -0.093 -4.790 1.00 0.00 H new ATOM 1944 N ALA B 423 -6.753 2.080 -5.657 1.00 0.00 N ATOM 1945 CA ALA B 423 -5.939 2.921 -4.807 1.00 0.00 C ATOM 1946 C ALA B 423 -4.666 3.303 -5.546 1.00 0.00 C ATOM 1947 O ALA B 423 -4.254 4.463 -5.539 1.00 0.00 O ATOM 1948 CB ALA B 423 -5.624 2.211 -3.502 1.00 0.00 C ATOM 0 H ALA B 423 -6.897 1.135 -5.302 1.00 0.00 H new ATOM 0 HA ALA B 423 -6.488 3.830 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -5.011 2.858 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -6.553 1.976 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -5.082 1.289 -3.711 1.00 0.00 H new ATOM 1954 N GLY B 424 -4.056 2.317 -6.204 1.00 0.00 N ATOM 1955 CA GLY B 424 -2.848 2.576 -6.962 1.00 0.00 C ATOM 1956 C GLY B 424 -3.105 3.542 -8.102 1.00 0.00 C ATOM 1957 O GLY B 424 -2.594 4.667 -8.105 1.00 0.00 O ATOM 0 H GLY B 424 -4.377 1.349 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -2.083 2.986 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -2.458 1.639 -7.359 1.00 0.00 H new ATOM 1961 N ILE B 425 -3.917 3.112 -9.063 1.00 0.00 N ATOM 1962 CA ILE B 425 -4.258 3.956 -10.200 1.00 0.00 C ATOM 1963 C ILE B 425 -4.786 5.305 -9.721 1.00 0.00 C ATOM 1964 O ILE B 425 -4.530 6.341 -10.334 1.00 0.00 O ATOM 1965 CB ILE B 425 -5.320 3.291 -11.097 1.00 0.00 C ATOM 1966 CG1 ILE B 425 -4.882 1.879 -11.488 1.00 0.00 C ATOM 1967 CG2 ILE B 425 -5.572 4.137 -12.336 1.00 0.00 C ATOM 1968 CD1 ILE B 425 -3.388 1.740 -11.679 1.00 0.00 C ATOM 0 H ILE B 425 -4.349 2.188 -9.076 1.00 0.00 H new ATOM 0 HA ILE B 425 -3.348 4.100 -10.782 1.00 0.00 H new ATOM 0 HB ILE B 425 -6.251 3.217 -10.536 1.00 0.00 H new ATOM 0 HG12 ILE B 425 -5.208 1.180 -10.718 1.00 0.00 H new ATOM 0 HG13 ILE B 425 -5.386 1.594 -12.411 1.00 0.00 H new ATOM 0 HG21 ILE B 425 -6.324 3.654 -12.959 1.00 0.00 H new ATOM 0 HG22 ILE B 425 -5.927 5.123 -12.037 1.00 0.00 H new ATOM 0 HG23 ILE B 425 -4.645 4.241 -12.900 1.00 0.00 H new ATOM 0 HD11 ILE B 425 -3.151 0.713 -11.955 1.00 0.00 H new ATOM 0 HD12 ILE B 425 -3.058 2.414 -12.470 1.00 0.00 H new ATOM 0 HD13 ILE B 425 -2.877 1.993 -10.750 1.00 0.00 H new ATOM 1980 N ARG B 426 -5.521 5.278 -8.613 1.00 0.00 N ATOM 1981 CA ARG B 426 -6.087 6.491 -8.035 1.00 0.00 C ATOM 1982 C ARG B 426 -4.980 7.437 -7.589 1.00 0.00 C ATOM 1983 O ARG B 426 -4.996 8.624 -7.917 1.00 0.00 O ATOM 1984 CB ARG B 426 -6.991 6.147 -6.849 1.00 0.00 C ATOM 1985 CG ARG B 426 -7.494 7.359 -6.088 1.00 0.00 C ATOM 1986 CD ARG B 426 -8.638 8.031 -6.824 1.00 0.00 C ATOM 1987 NE ARG B 426 -9.712 8.439 -5.922 1.00 0.00 N ATOM 1988 CZ ARG B 426 -10.608 9.372 -6.222 1.00 0.00 C ATOM 1989 NH1 ARG B 426 -10.557 9.987 -7.396 1.00 0.00 N ATOM 1990 NH2 ARG B 426 -11.557 9.690 -5.353 1.00 0.00 N ATOM 0 H ARG B 426 -5.739 4.426 -8.097 1.00 0.00 H new ATOM 0 HA ARG B 426 -6.684 6.987 -8.800 1.00 0.00 H new ATOM 0 HB2 ARG B 426 -7.846 5.576 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG B 426 -6.444 5.501 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG B 426 -7.825 7.057 -5.094 1.00 0.00 H new ATOM 0 HG3 ARG B 426 -6.679 8.070 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG B 426 -8.262 8.905 -7.356 1.00 0.00 H new ATOM 0 HD3 ARG B 426 -9.036 7.348 -7.574 1.00 0.00 H new ATOM 0 HE ARG B 426 -9.777 7.982 -5.012 1.00 0.00 H new ATOM 0 HH11 ARG B 426 -9.830 9.743 -8.068 1.00 0.00 H new ATOM 0 HH12 ARG B 426 -11.245 10.704 -7.627 1.00 0.00 H new ATOM 0 HH21 ARG B 426 -11.601 9.218 -4.450 1.00 0.00 H new ATOM 0 HH22 ARG B 426 -12.243 10.407 -5.587 1.00 0.00 H new ATOM 2004 N ALA B 427 -4.011 6.906 -6.846 1.00 0.00 N ATOM 2005 CA ALA B 427 -2.900 7.713 -6.372 1.00 0.00 C ATOM 2006 C ALA B 427 -2.264 8.467 -7.530 1.00 0.00 C ATOM 2007 O ALA B 427 -1.926 9.645 -7.407 1.00 0.00 O ATOM 2008 CB ALA B 427 -1.867 6.852 -5.667 1.00 0.00 C ATOM 0 H ALA B 427 -3.977 5.927 -6.563 1.00 0.00 H new ATOM 0 HA ALA B 427 -3.285 8.436 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA B 427 -1.045 7.479 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA B 427 -2.329 6.356 -4.813 1.00 0.00 H new ATOM 0 HB3 ALA B 427 -1.485 6.102 -6.359 1.00 0.00 H new ATOM 2014 N ALA B 428 -2.113 7.784 -8.660 1.00 0.00 N ATOM 2015 CA ALA B 428 -1.530 8.400 -9.844 1.00 0.00 C ATOM 2016 C ALA B 428 -2.349 9.616 -10.266 1.00 0.00 C ATOM 2017 O ALA B 428 -1.856 10.750 -10.262 1.00 0.00 O ATOM 2018 CB ALA B 428 -1.436 7.401 -10.989 1.00 0.00 C ATOM 0 H ALA B 428 -2.385 6.808 -8.780 1.00 0.00 H new ATOM 0 HA ALA B 428 -0.520 8.725 -9.595 1.00 0.00 H new ATOM 0 HB1 ALA B 428 -0.997 7.887 -11.861 1.00 0.00 H new ATOM 0 HB2 ALA B 428 -0.810 6.561 -10.688 1.00 0.00 H new ATOM 0 HB3 ALA B 428 -2.433 7.039 -11.239 1.00 0.00 H new ATOM 2024 N GLU B 429 -3.609 9.376 -10.617 1.00 0.00 N ATOM 2025 CA GLU B 429 -4.508 10.448 -11.027 1.00 0.00 C ATOM 2026 C GLU B 429 -4.546 11.539 -9.965 1.00 0.00 C ATOM 2027 O GLU B 429 -4.923 12.679 -10.239 1.00 0.00 O ATOM 2028 CB GLU B 429 -5.920 9.904 -11.262 1.00 0.00 C ATOM 2029 CG GLU B 429 -6.514 10.299 -12.605 1.00 0.00 C ATOM 2030 CD GLU B 429 -8.030 10.251 -12.608 1.00 0.00 C ATOM 2031 OE1 GLU B 429 -8.628 10.287 -11.511 1.00 0.00 O ATOM 2032 OE2 GLU B 429 -8.620 10.178 -13.707 1.00 0.00 O ATOM 0 H GLU B 429 -4.030 8.447 -10.625 1.00 0.00 H new ATOM 0 HA GLU B 429 -4.135 10.871 -11.960 1.00 0.00 H new ATOM 0 HB2 GLU B 429 -5.897 8.817 -11.191 1.00 0.00 H new ATOM 0 HB3 GLU B 429 -6.574 10.261 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU B 429 -6.185 11.306 -12.862 1.00 0.00 H new ATOM 0 HG3 GLU B 429 -6.131 9.632 -13.378 1.00 0.00 H new ATOM 2039 N ASN B 430 -4.152 11.177 -8.748 1.00 0.00 N ATOM 2040 CA ASN B 430 -4.138 12.118 -7.636 1.00 0.00 C ATOM 2041 C ASN B 430 -2.950 13.068 -7.745 1.00 0.00 C ATOM 2042 O ASN B 430 -3.076 14.263 -7.476 1.00 0.00 O ATOM 2043 CB ASN B 430 -4.094 11.368 -6.303 1.00 0.00 C ATOM 2044 CG ASN B 430 -5.471 11.196 -5.695 1.00 0.00 C ATOM 2045 OD1 ASN B 430 -5.814 11.851 -4.710 1.00 0.00 O ATOM 2046 ND2 ASN B 430 -6.270 10.311 -6.280 1.00 0.00 N ATOM 0 H ASN B 430 -3.838 10.237 -8.508 1.00 0.00 H new ATOM 0 HA ASN B 430 -5.054 12.707 -7.678 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -3.641 10.388 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -3.456 11.910 -5.605 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -7.209 10.152 -5.915 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -5.945 9.790 -7.094 1.00 0.00 H new ATOM 2053 N ALA B 431 -1.798 12.538 -8.149 1.00 0.00 N ATOM 2054 CA ALA B 431 -0.607 13.358 -8.298 1.00 0.00 C ATOM 2055 C ALA B 431 -0.827 14.379 -9.399 1.00 0.00 C ATOM 2056 O ALA B 431 -0.422 15.537 -9.287 1.00 0.00 O ATOM 2057 CB ALA B 431 0.616 12.507 -8.599 1.00 0.00 C ATOM 0 H ALA B 431 -1.668 11.552 -8.376 1.00 0.00 H new ATOM 0 HA ALA B 431 -0.424 13.875 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA B 431 1.490 13.150 -8.705 1.00 0.00 H new ATOM 0 HB2 ALA B 431 0.780 11.804 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA B 431 0.457 11.956 -9.526 1.00 0.00 H new ATOM 2063 N LEU B 432 -1.494 13.939 -10.459 1.00 0.00 N ATOM 2064 CA LEU B 432 -1.798 14.811 -11.583 1.00 0.00 C ATOM 2065 C LEU B 432 -3.083 15.593 -11.322 1.00 0.00 C ATOM 2066 O LEU B 432 -3.602 16.272 -12.208 1.00 0.00 O ATOM 2067 CB LEU B 432 -1.928 13.994 -12.871 1.00 0.00 C ATOM 2068 CG LEU B 432 -2.630 12.641 -12.719 1.00 0.00 C ATOM 2069 CD1 LEU B 432 -3.739 12.493 -13.749 1.00 0.00 C ATOM 2070 CD2 LEU B 432 -1.625 11.507 -12.849 1.00 0.00 C ATOM 0 H LEU B 432 -1.834 12.983 -10.562 1.00 0.00 H new ATOM 0 HA LEU B 432 -0.978 15.520 -11.700 1.00 0.00 H new ATOM 0 HB2 LEU B 432 -2.473 14.587 -13.605 1.00 0.00 H new ATOM 0 HB3 LEU B 432 -0.931 13.824 -13.276 1.00 0.00 H new ATOM 0 HG LEU B 432 -3.079 12.595 -11.727 1.00 0.00 H new ATOM 0 HD11 LEU B 432 -4.225 11.525 -13.624 1.00 0.00 H new ATOM 0 HD12 LEU B 432 -4.472 13.288 -13.611 1.00 0.00 H new ATOM 0 HD13 LEU B 432 -3.316 12.560 -14.751 1.00 0.00 H new ATOM 0 HD21 LEU B 432 -2.138 10.552 -12.739 1.00 0.00 H new ATOM 0 HD22 LEU B 432 -1.150 11.553 -13.829 1.00 0.00 H new ATOM 0 HD23 LEU B 432 -0.866 11.603 -12.073 1.00 0.00 H new ATOM 2082 N ARG B 433 -3.595 15.485 -10.097 1.00 0.00 N ATOM 2083 CA ARG B 433 -4.822 16.175 -9.714 1.00 0.00 C ATOM 2084 C ARG B 433 -4.529 17.581 -9.200 1.00 0.00 C ATOM 2085 O ARG B 433 -5.443 18.330 -8.853 1.00 0.00 O ATOM 2086 CB ARG B 433 -5.556 15.374 -8.639 1.00 0.00 C ATOM 2087 CG ARG B 433 -7.066 15.411 -8.781 1.00 0.00 C ATOM 2088 CD ARG B 433 -7.648 14.011 -8.883 1.00 0.00 C ATOM 2089 NE ARG B 433 -9.059 14.028 -9.252 1.00 0.00 N ATOM 2090 CZ ARG B 433 -10.027 14.447 -8.443 1.00 0.00 C ATOM 2091 NH1 ARG B 433 -9.735 14.883 -7.225 1.00 0.00 N ATOM 2092 NH2 ARG B 433 -11.288 14.431 -8.853 1.00 0.00 N ATOM 0 H ARG B 433 -3.177 14.925 -9.353 1.00 0.00 H new ATOM 0 HA ARG B 433 -5.452 16.261 -10.600 1.00 0.00 H new ATOM 0 HB2 ARG B 433 -5.221 14.338 -8.677 1.00 0.00 H new ATOM 0 HB3 ARG B 433 -5.282 15.762 -7.658 1.00 0.00 H new ATOM 0 HG2 ARG B 433 -7.501 15.926 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG B 433 -7.336 15.984 -9.668 1.00 0.00 H new ATOM 0 HD2 ARG B 433 -7.087 13.439 -9.622 1.00 0.00 H new ATOM 0 HD3 ARG B 433 -7.530 13.499 -7.928 1.00 0.00 H new ATOM 0 HE ARG B 433 -9.317 13.700 -10.183 1.00 0.00 H new ATOM 0 HH11 ARG B 433 -8.766 14.897 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG B 433 -10.480 15.204 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG B 433 -11.516 14.097 -9.790 1.00 0.00 H new ATOM 0 HH22 ARG B 433 -12.030 14.753 -8.232 1.00 0.00 H new ATOM 2106 N ASP B 434 -3.249 17.932 -9.151 1.00 0.00 N ATOM 2107 CA ASP B 434 -2.834 19.246 -8.677 1.00 0.00 C ATOM 2108 C ASP B 434 -2.263 20.081 -9.818 1.00 0.00 C ATOM 2109 O ASP B 434 -1.049 20.140 -10.012 1.00 0.00 O ATOM 2110 CB ASP B 434 -1.795 19.102 -7.564 1.00 0.00 C ATOM 2111 CG ASP B 434 -2.305 18.275 -6.399 1.00 0.00 C ATOM 2112 OD1 ASP B 434 -3.384 17.662 -6.536 1.00 0.00 O ATOM 2113 OD2 ASP B 434 -1.625 18.241 -5.352 1.00 0.00 O ATOM 0 H ASP B 434 -2.480 17.324 -9.434 1.00 0.00 H new ATOM 0 HA ASP B 434 -3.712 19.758 -8.282 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -0.895 18.638 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -1.510 20.092 -7.206 1.00 0.00 H new ATOM 2118 N LYS B 435 -3.148 20.725 -10.571 1.00 0.00 N ATOM 2119 CA LYS B 435 -2.736 21.556 -11.696 1.00 0.00 C ATOM 2120 C LYS B 435 -1.652 22.546 -11.277 1.00 0.00 C ATOM 2121 O LYS B 435 -0.620 22.669 -11.938 1.00 0.00 O ATOM 2122 CB LYS B 435 -3.947 22.299 -12.274 1.00 0.00 C ATOM 2123 CG LYS B 435 -4.104 23.724 -11.767 1.00 0.00 C ATOM 2124 CD LYS B 435 -5.345 24.380 -12.344 1.00 0.00 C ATOM 2125 CE LYS B 435 -5.381 24.264 -13.860 1.00 0.00 C ATOM 2126 NZ LYS B 435 -4.073 24.621 -14.477 1.00 0.00 N ATOM 0 H LYS B 435 -4.156 20.687 -10.422 1.00 0.00 H new ATOM 0 HA LYS B 435 -2.319 20.908 -12.467 1.00 0.00 H new ATOM 0 HB2 LYS B 435 -3.862 22.319 -13.361 1.00 0.00 H new ATOM 0 HB3 LYS B 435 -4.851 21.739 -12.035 1.00 0.00 H new ATOM 0 HG2 LYS B 435 -4.164 23.721 -10.679 1.00 0.00 H new ATOM 0 HG3 LYS B 435 -3.223 24.307 -12.036 1.00 0.00 H new ATOM 0 HD2 LYS B 435 -6.235 23.914 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS B 435 -5.369 25.431 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS B 435 -5.648 23.245 -14.140 1.00 0.00 H new ATOM 0 HE3 LYS B 435 -6.159 24.917 -14.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 435 -4.237 25.127 -15.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 435 -3.537 25.231 -13.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 435 -3.530 23.754 -14.665 1.00 0.00 H new ATOM 2140 N LYS B 436 -1.897 23.251 -10.179 1.00 0.00 N ATOM 2141 CA LYS B 436 -0.949 24.237 -9.672 1.00 0.00 C ATOM 2142 C LYS B 436 0.382 23.585 -9.307 1.00 0.00 C ATOM 2143 O LYS B 436 1.449 24.100 -9.646 1.00 0.00 O ATOM 2144 CB LYS B 436 -1.539 24.959 -8.461 1.00 0.00 C ATOM 2145 CG LYS B 436 -2.751 25.814 -8.799 1.00 0.00 C ATOM 2146 CD LYS B 436 -2.352 27.248 -9.106 1.00 0.00 C ATOM 2147 CE LYS B 436 -3.378 27.934 -9.995 1.00 0.00 C ATOM 2148 NZ LYS B 436 -4.301 28.801 -9.212 1.00 0.00 N ATOM 0 H LYS B 436 -2.746 23.158 -9.621 1.00 0.00 H new ATOM 0 HA LYS B 436 -0.760 24.965 -10.461 1.00 0.00 H new ATOM 0 HB2 LYS B 436 -1.822 24.222 -7.710 1.00 0.00 H new ATOM 0 HB3 LYS B 436 -0.771 25.591 -8.014 1.00 0.00 H new ATOM 0 HG2 LYS B 436 -3.270 25.388 -9.657 1.00 0.00 H new ATOM 0 HG3 LYS B 436 -3.451 25.801 -7.964 1.00 0.00 H new ATOM 0 HD2 LYS B 436 -2.246 27.805 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS B 436 -1.379 27.259 -9.597 1.00 0.00 H new ATOM 0 HE2 LYS B 436 -2.864 28.535 -10.745 1.00 0.00 H new ATOM 0 HE3 LYS B 436 -3.955 27.181 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 436 -4.984 29.250 -9.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 436 -4.811 28.223 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 436 -3.754 29.536 -8.720 1.00 0.00 H new ATOM 2162 N MET B 437 0.316 22.451 -8.617 1.00 0.00 N ATOM 2163 CA MET B 437 1.521 21.733 -8.215 1.00 0.00 C ATOM 2164 C MET B 437 2.237 21.165 -9.437 1.00 0.00 C ATOM 2165 O MET B 437 3.434 21.382 -9.627 1.00 0.00 O ATOM 2166 CB MET B 437 1.166 20.608 -7.242 1.00 0.00 C ATOM 2167 CG MET B 437 2.303 19.629 -6.991 1.00 0.00 C ATOM 2168 SD MET B 437 1.718 17.943 -6.736 1.00 0.00 S ATOM 2169 CE MET B 437 2.011 17.229 -8.352 1.00 0.00 C ATOM 0 H MET B 437 -0.556 22.010 -8.325 1.00 0.00 H new ATOM 0 HA MET B 437 2.190 22.433 -7.715 1.00 0.00 H new ATOM 0 HB2 MET B 437 0.860 21.046 -6.292 1.00 0.00 H new ATOM 0 HB3 MET B 437 0.308 20.061 -7.632 1.00 0.00 H new ATOM 0 HG2 MET B 437 2.988 19.648 -7.838 1.00 0.00 H new ATOM 0 HG3 MET B 437 2.868 19.950 -6.116 1.00 0.00 H new ATOM 0 HE1 MET B 437 1.481 16.280 -8.432 1.00 0.00 H new ATOM 0 HE2 MET B 437 1.651 17.912 -9.122 1.00 0.00 H new ATOM 0 HE3 MET B 437 3.079 17.060 -8.487 1.00 0.00 H new ATOM 2179 N LEU B 438 1.492 20.448 -10.269 1.00 0.00 N ATOM 2180 CA LEU B 438 2.055 19.863 -11.478 1.00 0.00 C ATOM 2181 C LEU B 438 2.802 20.921 -12.275 1.00 0.00 C ATOM 2182 O LEU B 438 4.014 20.832 -12.472 1.00 0.00 O ATOM 2183 CB LEU B 438 0.946 19.263 -12.341 1.00 0.00 C ATOM 2184 CG LEU B 438 0.291 18.003 -11.782 1.00 0.00 C ATOM 2185 CD1 LEU B 438 -0.964 17.672 -12.570 1.00 0.00 C ATOM 2186 CD2 LEU B 438 1.271 16.838 -11.811 1.00 0.00 C ATOM 0 H LEU B 438 0.500 20.258 -10.129 1.00 0.00 H new ATOM 0 HA LEU B 438 2.750 19.075 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU B 438 0.174 20.019 -12.488 1.00 0.00 H new ATOM 0 HB3 LEU B 438 1.358 19.033 -13.324 1.00 0.00 H new ATOM 0 HG LEU B 438 0.009 18.184 -10.745 1.00 0.00 H new ATOM 0 HD11 LEU B 438 -1.423 16.771 -12.162 1.00 0.00 H new ATOM 0 HD12 LEU B 438 -1.668 18.502 -12.499 1.00 0.00 H new ATOM 0 HD13 LEU B 438 -0.704 17.505 -13.615 1.00 0.00 H new ATOM 0 HD21 LEU B 438 0.789 15.947 -11.409 1.00 0.00 H new ATOM 0 HD22 LEU B 438 1.582 16.650 -12.839 1.00 0.00 H new ATOM 0 HD23 LEU B 438 2.144 17.082 -11.206 1.00 0.00 H new ATOM 2198 N ASP B 439 2.062 21.928 -12.722 1.00 0.00 N ATOM 2199 CA ASP B 439 2.639 23.020 -13.492 1.00 0.00 C ATOM 2200 C ASP B 439 3.852 23.591 -12.772 1.00 0.00 C ATOM 2201 O ASP B 439 4.854 23.938 -13.398 1.00 0.00 O ATOM 2202 CB ASP B 439 1.598 24.118 -13.718 1.00 0.00 C ATOM 2203 CG ASP B 439 2.173 25.315 -14.451 1.00 0.00 C ATOM 2204 OD1 ASP B 439 3.329 25.227 -14.916 1.00 0.00 O ATOM 2205 OD2 ASP B 439 1.467 26.339 -14.560 1.00 0.00 O ATOM 0 H ASP B 439 1.058 22.010 -12.563 1.00 0.00 H new ATOM 0 HA ASP B 439 2.956 22.632 -14.460 1.00 0.00 H new ATOM 0 HB2 ASP B 439 0.763 23.712 -14.289 1.00 0.00 H new ATOM 0 HB3 ASP B 439 1.199 24.441 -12.756 1.00 0.00 H new ATOM 2210 N PHE B 440 3.759 23.680 -11.449 1.00 0.00 N ATOM 2211 CA PHE B 440 4.860 24.205 -10.652 1.00 0.00 C ATOM 2212 C PHE B 440 6.127 23.414 -10.951 1.00 0.00 C ATOM 2213 O PHE B 440 7.226 23.969 -11.009 1.00 0.00 O ATOM 2214 CB PHE B 440 4.522 24.151 -9.158 1.00 0.00 C ATOM 2215 CG PHE B 440 5.722 24.017 -8.265 1.00 0.00 C ATOM 2216 CD1 PHE B 440 6.233 22.768 -7.955 1.00 0.00 C ATOM 2217 CD2 PHE B 440 6.337 25.141 -7.739 1.00 0.00 C ATOM 2218 CE1 PHE B 440 7.339 22.642 -7.135 1.00 0.00 C ATOM 2219 CE2 PHE B 440 7.442 25.021 -6.918 1.00 0.00 C ATOM 2220 CZ PHE B 440 7.944 23.770 -6.616 1.00 0.00 C ATOM 0 H PHE B 440 2.940 23.398 -10.911 1.00 0.00 H new ATOM 0 HA PHE B 440 5.025 25.250 -10.916 1.00 0.00 H new ATOM 0 HB2 PHE B 440 3.979 25.056 -8.886 1.00 0.00 H new ATOM 0 HB3 PHE B 440 3.852 23.310 -8.978 1.00 0.00 H new ATOM 0 HD1 PHE B 440 5.763 21.883 -8.358 1.00 0.00 H new ATOM 0 HD2 PHE B 440 5.949 26.121 -7.973 1.00 0.00 H new ATOM 0 HE1 PHE B 440 7.729 21.663 -6.901 1.00 0.00 H new ATOM 0 HE2 PHE B 440 7.913 25.905 -6.513 1.00 0.00 H new ATOM 0 HZ PHE B 440 8.808 23.674 -5.975 1.00 0.00 H new ATOM 2230 N TYR B 441 5.957 22.115 -11.160 1.00 0.00 N ATOM 2231 CA TYR B 441 7.077 21.243 -11.476 1.00 0.00 C ATOM 2232 C TYR B 441 7.545 21.487 -12.901 1.00 0.00 C ATOM 2233 O TYR B 441 8.736 21.629 -13.158 1.00 0.00 O ATOM 2234 CB TYR B 441 6.676 19.784 -11.281 1.00 0.00 C ATOM 2235 CG TYR B 441 6.517 19.423 -9.829 1.00 0.00 C ATOM 2236 CD1 TYR B 441 7.547 19.649 -8.929 1.00 0.00 C ATOM 2237 CD2 TYR B 441 5.335 18.874 -9.353 1.00 0.00 C ATOM 2238 CE1 TYR B 441 7.408 19.337 -7.594 1.00 0.00 C ATOM 2239 CE2 TYR B 441 5.186 18.561 -8.017 1.00 0.00 C ATOM 2240 CZ TYR B 441 6.225 18.793 -7.141 1.00 0.00 C ATOM 2241 OH TYR B 441 6.080 18.483 -5.808 1.00 0.00 O ATOM 0 H TYR B 441 5.054 21.643 -11.116 1.00 0.00 H new ATOM 0 HA TYR B 441 7.903 21.466 -10.801 1.00 0.00 H new ATOM 0 HB2 TYR B 441 5.739 19.594 -11.805 1.00 0.00 H new ATOM 0 HB3 TYR B 441 7.430 19.139 -11.733 1.00 0.00 H new ATOM 0 HD1 TYR B 441 8.474 20.077 -9.280 1.00 0.00 H new ATOM 0 HD2 TYR B 441 4.520 18.689 -10.037 1.00 0.00 H new ATOM 0 HE1 TYR B 441 8.221 19.518 -6.907 1.00 0.00 H new ATOM 0 HE2 TYR B 441 4.260 18.136 -7.659 1.00 0.00 H new ATOM 0 HH TYR B 441 5.187 18.109 -5.654 1.00 0.00 H new ATOM 2251 N ALA B 442 6.598 21.560 -13.828 1.00 0.00 N ATOM 2252 CA ALA B 442 6.934 21.817 -15.221 1.00 0.00 C ATOM 2253 C ALA B 442 8.007 22.892 -15.294 1.00 0.00 C ATOM 2254 O ALA B 442 9.050 22.713 -15.929 1.00 0.00 O ATOM 2255 CB ALA B 442 5.703 22.238 -16.012 1.00 0.00 C ATOM 0 H ALA B 442 5.601 21.446 -13.643 1.00 0.00 H new ATOM 0 HA ALA B 442 7.314 20.897 -15.665 1.00 0.00 H new ATOM 0 HB1 ALA B 442 5.983 22.424 -17.049 1.00 0.00 H new ATOM 0 HB2 ALA B 442 4.957 21.444 -15.974 1.00 0.00 H new ATOM 0 HB3 ALA B 442 5.287 23.148 -15.580 1.00 0.00 H new ATOM 2261 N LYS B 443 7.757 24.002 -14.608 1.00 0.00 N ATOM 2262 CA LYS B 443 8.716 25.096 -14.566 1.00 0.00 C ATOM 2263 C LYS B 443 9.982 24.619 -13.874 1.00 0.00 C ATOM 2264 O LYS B 443 11.094 24.904 -14.318 1.00 0.00 O ATOM 2265 CB LYS B 443 8.141 26.311 -13.828 1.00 0.00 C ATOM 2266 CG LYS B 443 6.626 26.306 -13.710 1.00 0.00 C ATOM 2267 CD LYS B 443 6.104 27.634 -13.186 1.00 0.00 C ATOM 2268 CE LYS B 443 6.264 28.742 -14.214 1.00 0.00 C ATOM 2269 NZ LYS B 443 5.640 30.014 -13.761 1.00 0.00 N ATOM 0 H LYS B 443 6.902 24.166 -14.076 1.00 0.00 H new ATOM 0 HA LYS B 443 8.942 25.403 -15.587 1.00 0.00 H new ATOM 0 HB2 LYS B 443 8.572 26.353 -12.828 1.00 0.00 H new ATOM 0 HB3 LYS B 443 8.451 27.218 -14.347 1.00 0.00 H new ATOM 0 HG2 LYS B 443 6.185 26.100 -14.685 1.00 0.00 H new ATOM 0 HG3 LYS B 443 6.315 25.502 -13.043 1.00 0.00 H new ATOM 0 HD2 LYS B 443 5.052 27.533 -12.920 1.00 0.00 H new ATOM 0 HD3 LYS B 443 6.639 27.902 -12.275 1.00 0.00 H new ATOM 0 HE2 LYS B 443 7.324 28.907 -14.408 1.00 0.00 H new ATOM 0 HE3 LYS B 443 5.812 28.431 -15.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 443 5.771 30.744 -14.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 443 4.624 29.864 -13.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 443 6.089 30.325 -12.876 1.00 0.00 H new ATOM 2283 N GLN B 444 9.798 23.870 -12.789 1.00 0.00 N ATOM 2284 CA GLN B 444 10.920 23.325 -12.036 1.00 0.00 C ATOM 2285 C GLN B 444 11.847 22.548 -12.963 1.00 0.00 C ATOM 2286 O GLN B 444 13.070 22.667 -12.879 1.00 0.00 O ATOM 2287 CB GLN B 444 10.415 22.416 -10.912 1.00 0.00 C ATOM 2288 CG GLN B 444 9.912 23.174 -9.698 1.00 0.00 C ATOM 2289 CD GLN B 444 10.725 22.860 -8.462 1.00 0.00 C ATOM 2290 OE1 GLN B 444 10.196 22.787 -7.354 1.00 0.00 O ATOM 2291 NE2 GLN B 444 12.022 22.668 -8.652 1.00 0.00 N ATOM 0 H GLN B 444 8.881 23.628 -12.413 1.00 0.00 H new ATOM 0 HA GLN B 444 11.477 24.151 -11.593 1.00 0.00 H new ATOM 0 HB2 GLN B 444 9.611 21.789 -11.297 1.00 0.00 H new ATOM 0 HB3 GLN B 444 11.221 21.749 -10.605 1.00 0.00 H new ATOM 0 HG2 GLN B 444 9.952 24.245 -9.896 1.00 0.00 H new ATOM 0 HG3 GLN B 444 8.867 22.921 -9.519 1.00 0.00 H new ATOM 0 HE21 GLN B 444 12.416 22.739 -9.590 1.00 0.00 H new ATOM 0 HE22 GLN B 444 12.627 22.449 -7.860 1.00 0.00 H new ATOM 2300 N ARG B 445 11.254 21.762 -13.859 1.00 0.00 N ATOM 2301 CA ARG B 445 12.023 20.979 -14.816 1.00 0.00 C ATOM 2302 C ARG B 445 12.806 21.911 -15.726 1.00 0.00 C ATOM 2303 O ARG B 445 13.955 21.644 -16.068 1.00 0.00 O ATOM 2304 CB ARG B 445 11.101 20.081 -15.643 1.00 0.00 C ATOM 2305 CG ARG B 445 10.181 19.213 -14.802 1.00 0.00 C ATOM 2306 CD ARG B 445 10.967 18.312 -13.863 1.00 0.00 C ATOM 2307 NE ARG B 445 10.153 17.855 -12.738 1.00 0.00 N ATOM 2308 CZ ARG B 445 10.140 18.439 -11.542 1.00 0.00 C ATOM 2309 NH1 ARG B 445 10.886 19.511 -11.306 1.00 0.00 N ATOM 2310 NH2 ARG B 445 9.369 17.955 -10.578 1.00 0.00 N ATOM 0 H ARG B 445 10.243 21.652 -13.940 1.00 0.00 H new ATOM 0 HA ARG B 445 12.719 20.341 -14.271 1.00 0.00 H new ATOM 0 HB2 ARG B 445 10.496 20.704 -16.302 1.00 0.00 H new ATOM 0 HB3 ARG B 445 11.709 19.439 -16.281 1.00 0.00 H new ATOM 0 HG2 ARG B 445 9.510 19.847 -14.222 1.00 0.00 H new ATOM 0 HG3 ARG B 445 9.557 18.603 -15.455 1.00 0.00 H new ATOM 0 HD2 ARG B 445 11.340 17.449 -14.415 1.00 0.00 H new ATOM 0 HD3 ARG B 445 11.837 18.850 -13.487 1.00 0.00 H new ATOM 0 HE ARG B 445 9.558 17.038 -12.878 1.00 0.00 H new ATOM 0 HH11 ARG B 445 11.476 19.894 -12.044 1.00 0.00 H new ATOM 0 HH12 ARG B 445 10.869 19.952 -10.386 1.00 0.00 H new ATOM 0 HH21 ARG B 445 8.787 17.136 -10.753 1.00 0.00 H new ATOM 0 HH22 ARG B 445 9.358 18.402 -9.661 1.00 0.00 H new