USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=16 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 380 TYR OH : rot -18:sc= 0.694 USER MOD Set 1.2: B 444 GLN : amide:sc= -1.36 X(o=-0.67,f=-1.1!) USER MOD Set 2.1: B 387 TYR OH : rot -171:sc= -4.8! USER MOD Set 2.2: B 404 CYS SG : rot 83:sc= -5! USER MOD Set 3.1: B 368 MET CE :methyl 176:sc= -6.87! (180deg=-4.48!) USER MOD Set 3.2: B 369 ASN : amide:sc= -3.58 K(o=-10,f=-6) USER MOD Single : B 371 LYS NZ :NH3+ -157:sc= -0.564 (180deg=-2.11!) USER MOD Single : B 373 GLN : amide:sc= -11.4! C(o=-11!,f=-8!) USER MOD Single : B 375 TYR OH : rot 180:sc= 0 USER MOD Single : B 376 SER OG : rot 120:sc= -0.564 USER MOD Single : B 382 SER OG : rot 180:sc= 0 USER MOD Single : B 386 HIS : no HE2:sc= -5.92! C(o=-5.9!,f=-5.8!) 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 -150:sc= 0.695 USER MOD Single : B 399 ASN : amide:sc= -2.35! C(o=-2.4!,f=-3.2!) USER MOD Single : B 400 SER OG : rot 180:sc= 0 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= -4.66! C(o=-4.7!,f=-3.9!) USER MOD Single : B 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -5.68! C(o=-5.7!,f=-9.4!) 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 -145:sc= -12! (180deg=-18.2!) USER MOD Single : B 441 TYR OH : rot 165:sc= 0 USER MOD Single : B 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1069 N ASP B 367 -5.247 5.545 -16.761 1.00 0.00 N ATOM 1070 CA ASP B 367 -4.036 4.991 -16.138 1.00 0.00 C ATOM 1071 C ASP B 367 -2.784 5.324 -16.944 1.00 0.00 C ATOM 1072 O ASP B 367 -1.854 5.954 -16.435 1.00 0.00 O ATOM 1073 CB ASP B 367 -4.166 3.474 -15.987 1.00 0.00 C ATOM 1074 CG ASP B 367 -5.585 3.044 -15.677 1.00 0.00 C ATOM 1075 OD1 ASP B 367 -6.366 3.882 -15.180 1.00 0.00 O ATOM 1076 OD2 ASP B 367 -5.916 1.866 -15.931 1.00 0.00 O ATOM 0 HA ASP B 367 -3.934 5.448 -15.154 1.00 0.00 H new ATOM 0 HB2 ASP B 367 -3.835 2.990 -16.906 1.00 0.00 H new ATOM 0 HB3 ASP B 367 -3.504 3.133 -15.191 1.00 0.00 H new ATOM 1081 N MET B 368 -2.774 4.909 -18.206 1.00 0.00 N ATOM 1082 CA MET B 368 -1.643 5.179 -19.085 1.00 0.00 C ATOM 1083 C MET B 368 -1.190 6.625 -18.923 1.00 0.00 C ATOM 1084 O MET B 368 -0.067 6.889 -18.497 1.00 0.00 O ATOM 1085 CB MET B 368 -2.021 4.905 -20.542 1.00 0.00 C ATOM 1086 CG MET B 368 -3.512 5.014 -20.817 1.00 0.00 C ATOM 1087 SD MET B 368 -3.870 5.879 -22.358 1.00 0.00 S ATOM 1088 CE MET B 368 -3.127 7.473 -22.027 1.00 0.00 C ATOM 0 H MET B 368 -3.534 4.386 -18.642 1.00 0.00 H new ATOM 0 HA MET B 368 -0.822 4.517 -18.810 1.00 0.00 H new ATOM 0 HB2 MET B 368 -1.490 5.607 -21.184 1.00 0.00 H new ATOM 0 HB3 MET B 368 -1.682 3.905 -20.814 1.00 0.00 H new ATOM 0 HG2 MET B 368 -3.945 4.014 -20.857 1.00 0.00 H new ATOM 0 HG3 MET B 368 -3.993 5.537 -19.991 1.00 0.00 H new ATOM 0 HE1 MET B 368 -3.202 8.101 -22.915 1.00 0.00 H new ATOM 0 HE2 MET B 368 -3.648 7.952 -21.198 1.00 0.00 H new ATOM 0 HE3 MET B 368 -2.077 7.338 -21.766 1.00 0.00 H new ATOM 1098 N ASN B 369 -2.078 7.560 -19.250 1.00 0.00 N ATOM 1099 CA ASN B 369 -1.774 8.977 -19.122 1.00 0.00 C ATOM 1100 C ASN B 369 -1.288 9.290 -17.712 1.00 0.00 C ATOM 1101 O ASN B 369 -0.447 10.166 -17.514 1.00 0.00 O ATOM 1102 CB ASN B 369 -3.014 9.813 -19.442 1.00 0.00 C ATOM 1103 CG ASN B 369 -2.855 10.638 -20.704 1.00 0.00 C ATOM 1104 OD1 ASN B 369 -3.398 11.735 -20.813 1.00 0.00 O ATOM 1105 ND2 ASN B 369 -2.106 10.113 -21.667 1.00 0.00 N ATOM 0 H ASN B 369 -3.013 7.359 -19.605 1.00 0.00 H new ATOM 0 HA ASN B 369 -0.984 9.227 -19.830 1.00 0.00 H new ATOM 0 HB2 ASN B 369 -3.874 9.152 -19.551 1.00 0.00 H new ATOM 0 HB3 ASN B 369 -3.226 10.477 -18.604 1.00 0.00 H new ATOM 0 HD21 ASN B 369 -1.964 10.624 -22.538 1.00 0.00 H new ATOM 0 HD22 ASN B 369 -1.673 9.199 -21.535 1.00 0.00 H new ATOM 1112 N ALA B 370 -1.819 8.559 -16.735 1.00 0.00 N ATOM 1113 CA ALA B 370 -1.432 8.754 -15.343 1.00 0.00 C ATOM 1114 C ALA B 370 0.069 8.557 -15.175 1.00 0.00 C ATOM 1115 O ALA B 370 0.831 9.523 -15.148 1.00 0.00 O ATOM 1116 CB ALA B 370 -2.192 7.810 -14.422 1.00 0.00 C ATOM 0 H ALA B 370 -2.516 7.829 -16.882 1.00 0.00 H new ATOM 0 HA ALA B 370 -1.688 9.777 -15.066 1.00 0.00 H new ATOM 0 HB1 ALA B 370 -1.882 7.979 -13.391 1.00 0.00 H new ATOM 0 HB2 ALA B 370 -3.262 7.995 -14.514 1.00 0.00 H new ATOM 0 HB3 ALA B 370 -1.977 6.778 -14.701 1.00 0.00 H new ATOM 1122 N LYS B 371 0.490 7.300 -15.072 1.00 0.00 N ATOM 1123 CA LYS B 371 1.905 6.982 -14.918 1.00 0.00 C ATOM 1124 C LYS B 371 2.752 7.934 -15.755 1.00 0.00 C ATOM 1125 O LYS B 371 3.765 8.463 -15.290 1.00 0.00 O ATOM 1126 CB LYS B 371 2.168 5.536 -15.344 1.00 0.00 C ATOM 1127 CG LYS B 371 1.127 4.999 -16.312 1.00 0.00 C ATOM 1128 CD LYS B 371 1.711 3.933 -17.225 1.00 0.00 C ATOM 1129 CE LYS B 371 0.819 2.704 -17.299 1.00 0.00 C ATOM 1130 NZ LYS B 371 0.168 2.398 -15.994 1.00 0.00 N ATOM 0 H LYS B 371 -0.126 6.488 -15.092 1.00 0.00 H new ATOM 0 HA LYS B 371 2.178 7.097 -13.869 1.00 0.00 H new ATOM 0 HB2 LYS B 371 3.152 5.474 -15.808 1.00 0.00 H new ATOM 0 HB3 LYS B 371 2.192 4.902 -14.458 1.00 0.00 H new ATOM 0 HG2 LYS B 371 0.290 4.581 -15.753 1.00 0.00 H new ATOM 0 HG3 LYS B 371 0.732 5.818 -16.913 1.00 0.00 H new ATOM 0 HD2 LYS B 371 1.846 4.345 -18.225 1.00 0.00 H new ATOM 0 HD3 LYS B 371 2.698 3.645 -16.863 1.00 0.00 H new ATOM 0 HE2 LYS B 371 0.052 2.860 -18.057 1.00 0.00 H new ATOM 0 HE3 LYS B 371 1.412 1.846 -17.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 -0.097 1.393 -15.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 0.830 2.604 -15.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 -0.684 2.984 -15.886 1.00 0.00 H new ATOM 1144 N ARG B 372 2.315 8.151 -16.991 1.00 0.00 N ATOM 1145 CA ARG B 372 3.008 9.046 -17.906 1.00 0.00 C ATOM 1146 C ARG B 372 3.126 10.440 -17.301 1.00 0.00 C ATOM 1147 O ARG B 372 4.192 11.046 -17.314 1.00 0.00 O ATOM 1148 CB ARG B 372 2.254 9.116 -19.237 1.00 0.00 C ATOM 1149 CG ARG B 372 3.153 9.306 -20.448 1.00 0.00 C ATOM 1150 CD ARG B 372 3.256 10.774 -20.834 1.00 0.00 C ATOM 1151 NE ARG B 372 4.412 11.042 -21.683 1.00 0.00 N ATOM 1152 CZ ARG B 372 4.561 12.155 -22.393 1.00 0.00 C ATOM 1153 NH1 ARG B 372 3.628 13.097 -22.360 1.00 0.00 N ATOM 1154 NH2 ARG B 372 5.645 12.328 -23.139 1.00 0.00 N ATOM 0 H ARG B 372 1.479 7.716 -17.382 1.00 0.00 H new ATOM 0 HA ARG B 372 4.011 8.657 -18.082 1.00 0.00 H new ATOM 0 HB2 ARG B 372 1.678 8.199 -19.365 1.00 0.00 H new ATOM 0 HB3 ARG B 372 1.540 9.938 -19.195 1.00 0.00 H new ATOM 0 HG2 ARG B 372 4.147 8.914 -20.231 1.00 0.00 H new ATOM 0 HG3 ARG B 372 2.761 8.733 -21.288 1.00 0.00 H new ATOM 0 HD2 ARG B 372 2.347 11.075 -21.355 1.00 0.00 H new ATOM 0 HD3 ARG B 372 3.322 11.381 -19.931 1.00 0.00 H new ATOM 0 HE ARG B 372 5.146 10.336 -21.734 1.00 0.00 H new ATOM 0 HH11 ARG B 372 2.793 12.968 -21.788 1.00 0.00 H new ATOM 0 HH12 ARG B 372 3.745 13.950 -22.906 1.00 0.00 H new ATOM 0 HH21 ARG B 372 6.365 11.606 -23.168 1.00 0.00 H new ATOM 0 HH22 ARG B 372 5.758 13.183 -23.684 1.00 0.00 H new ATOM 1168 N GLN B 373 2.020 10.943 -16.770 1.00 0.00 N ATOM 1169 CA GLN B 373 2.000 12.267 -16.159 1.00 0.00 C ATOM 1170 C GLN B 373 3.019 12.367 -15.028 1.00 0.00 C ATOM 1171 O GLN B 373 3.729 13.364 -14.897 1.00 0.00 O ATOM 1172 CB GLN B 373 0.601 12.576 -15.617 1.00 0.00 C ATOM 1173 CG GLN B 373 0.050 13.914 -16.083 1.00 0.00 C ATOM 1174 CD GLN B 373 1.072 15.029 -15.988 1.00 0.00 C ATOM 1175 OE1 GLN B 373 1.139 15.901 -16.854 1.00 0.00 O ATOM 1176 NE2 GLN B 373 1.877 15.006 -14.933 1.00 0.00 N ATOM 0 H GLN B 373 1.124 10.455 -16.749 1.00 0.00 H new ATOM 0 HA GLN B 373 2.263 12.994 -16.927 1.00 0.00 H new ATOM 0 HB2 GLN B 373 -0.082 11.784 -15.925 1.00 0.00 H new ATOM 0 HB3 GLN B 373 0.632 12.565 -14.527 1.00 0.00 H new ATOM 0 HG2 GLN B 373 -0.289 13.824 -17.115 1.00 0.00 H new ATOM 0 HG3 GLN B 373 -0.822 14.173 -15.482 1.00 0.00 H new ATOM 0 HE21 GLN B 373 1.787 14.264 -14.239 1.00 0.00 H new ATOM 0 HE22 GLN B 373 2.586 15.730 -14.816 1.00 0.00 H new ATOM 1185 N LEU B 374 3.061 11.333 -14.199 1.00 0.00 N ATOM 1186 CA LEU B 374 3.958 11.298 -13.051 1.00 0.00 C ATOM 1187 C LEU B 374 5.433 11.423 -13.433 1.00 0.00 C ATOM 1188 O LEU B 374 6.073 12.423 -13.118 1.00 0.00 O ATOM 1189 CB LEU B 374 3.744 10.009 -12.258 1.00 0.00 C ATOM 1190 CG LEU B 374 2.319 9.457 -12.290 1.00 0.00 C ATOM 1191 CD1 LEU B 374 2.096 8.479 -11.145 1.00 0.00 C ATOM 1192 CD2 LEU B 374 1.308 10.592 -12.229 1.00 0.00 C ATOM 0 H LEU B 374 2.480 10.501 -14.301 1.00 0.00 H new ATOM 0 HA LEU B 374 3.712 12.166 -12.440 1.00 0.00 H new ATOM 0 HB2 LEU B 374 4.421 9.247 -12.644 1.00 0.00 H new ATOM 0 HB3 LEU B 374 4.024 10.189 -11.220 1.00 0.00 H new ATOM 0 HG LEU B 374 2.179 8.921 -13.229 1.00 0.00 H new ATOM 0 HD11 LEU B 374 1.076 8.098 -11.186 1.00 0.00 H new ATOM 0 HD12 LEU B 374 2.797 7.649 -11.233 1.00 0.00 H new ATOM 0 HD13 LEU B 374 2.255 8.989 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU B 374 0.298 10.182 -12.253 1.00 0.00 H new ATOM 0 HD22 LEU B 374 1.449 11.156 -11.307 1.00 0.00 H new ATOM 0 HD23 LEU B 374 1.451 11.253 -13.084 1.00 0.00 H new ATOM 1204 N TYR B 375 5.982 10.389 -14.061 1.00 0.00 N ATOM 1205 CA TYR B 375 7.402 10.384 -14.421 1.00 0.00 C ATOM 1206 C TYR B 375 7.692 11.111 -15.731 1.00 0.00 C ATOM 1207 O TYR B 375 8.766 11.690 -15.899 1.00 0.00 O ATOM 1208 CB TYR B 375 7.914 8.946 -14.501 1.00 0.00 C ATOM 1209 CG TYR B 375 8.416 8.414 -13.179 1.00 0.00 C ATOM 1210 CD1 TYR B 375 7.742 8.696 -11.997 1.00 0.00 C ATOM 1211 CD2 TYR B 375 9.567 7.640 -13.110 1.00 0.00 C ATOM 1212 CE1 TYR B 375 8.201 8.217 -10.784 1.00 0.00 C ATOM 1213 CE2 TYR B 375 10.032 7.159 -11.901 1.00 0.00 C ATOM 1214 CZ TYR B 375 9.345 7.451 -10.741 1.00 0.00 C ATOM 1215 OH TYR B 375 9.808 6.978 -9.534 1.00 0.00 O ATOM 0 H TYR B 375 5.473 9.548 -14.331 1.00 0.00 H new ATOM 0 HA TYR B 375 7.927 10.928 -13.636 1.00 0.00 H new ATOM 0 HB2 TYR B 375 7.112 8.302 -14.863 1.00 0.00 H new ATOM 0 HB3 TYR B 375 8.719 8.895 -15.234 1.00 0.00 H new ATOM 0 HD1 TYR B 375 6.846 9.298 -12.026 1.00 0.00 H new ATOM 0 HD2 TYR B 375 10.108 7.410 -14.016 1.00 0.00 H new ATOM 0 HE1 TYR B 375 7.665 8.442 -9.874 1.00 0.00 H new ATOM 0 HE2 TYR B 375 10.928 6.558 -11.864 1.00 0.00 H new ATOM 0 HH TYR B 375 10.624 6.455 -9.679 1.00 0.00 H new ATOM 1225 N SER B 376 6.754 11.066 -16.666 1.00 0.00 N ATOM 1226 CA SER B 376 6.948 11.711 -17.962 1.00 0.00 C ATOM 1227 C SER B 376 6.655 13.212 -17.915 1.00 0.00 C ATOM 1228 O SER B 376 7.170 13.969 -18.737 1.00 0.00 O ATOM 1229 CB SER B 376 6.074 11.043 -19.025 1.00 0.00 C ATOM 1230 OG SER B 376 6.718 11.036 -20.288 1.00 0.00 O ATOM 0 H SER B 376 5.857 10.594 -16.556 1.00 0.00 H new ATOM 0 HA SER B 376 7.999 11.590 -18.224 1.00 0.00 H new ATOM 0 HB2 SER B 376 5.848 10.020 -18.723 1.00 0.00 H new ATOM 0 HB3 SER B 376 5.123 11.570 -19.102 1.00 0.00 H new ATOM 0 HG SER B 376 6.834 10.111 -20.591 1.00 0.00 H new ATOM 1236 N LEU B 377 5.825 13.645 -16.968 1.00 0.00 N ATOM 1237 CA LEU B 377 5.485 15.062 -16.865 1.00 0.00 C ATOM 1238 C LEU B 377 5.945 15.670 -15.542 1.00 0.00 C ATOM 1239 O LEU B 377 6.057 16.890 -15.420 1.00 0.00 O ATOM 1240 CB LEU B 377 3.978 15.258 -17.031 1.00 0.00 C ATOM 1241 CG LEU B 377 3.525 15.584 -18.454 1.00 0.00 C ATOM 1242 CD1 LEU B 377 3.807 17.043 -18.782 1.00 0.00 C ATOM 1243 CD2 LEU B 377 4.216 14.670 -19.456 1.00 0.00 C ATOM 0 H LEU B 377 5.382 13.046 -16.271 1.00 0.00 H new ATOM 0 HA LEU B 377 6.012 15.579 -17.667 1.00 0.00 H new ATOM 0 HB2 LEU B 377 3.470 14.351 -16.702 1.00 0.00 H new ATOM 0 HB3 LEU B 377 3.656 16.062 -16.369 1.00 0.00 H new ATOM 0 HG LEU B 377 2.450 15.417 -18.520 1.00 0.00 H new ATOM 0 HD11 LEU B 377 3.478 17.257 -19.799 1.00 0.00 H new ATOM 0 HD12 LEU B 377 3.268 17.684 -18.084 1.00 0.00 H new ATOM 0 HD13 LEU B 377 4.877 17.234 -18.699 1.00 0.00 H new ATOM 0 HD21 LEU B 377 3.882 14.916 -20.464 1.00 0.00 H new ATOM 0 HD22 LEU B 377 5.295 14.806 -19.388 1.00 0.00 H new ATOM 0 HD23 LEU B 377 3.966 13.632 -19.234 1.00 0.00 H new ATOM 1255 N ILE B 378 6.207 14.825 -14.553 1.00 0.00 N ATOM 1256 CA ILE B 378 6.650 15.303 -13.248 1.00 0.00 C ATOM 1257 C ILE B 378 7.664 14.352 -12.624 1.00 0.00 C ATOM 1258 O ILE B 378 7.577 14.025 -11.441 1.00 0.00 O ATOM 1259 CB ILE B 378 5.461 15.478 -12.282 1.00 0.00 C ATOM 1260 CG1 ILE B 378 4.210 15.889 -13.056 1.00 0.00 C ATOM 1261 CG2 ILE B 378 5.787 16.513 -11.216 1.00 0.00 C ATOM 1262 CD1 ILE B 378 4.230 17.338 -13.496 1.00 0.00 C ATOM 0 H ILE B 378 6.121 13.811 -14.628 1.00 0.00 H new ATOM 0 HA ILE B 378 7.123 16.271 -13.411 1.00 0.00 H new ATOM 0 HB ILE B 378 5.271 14.525 -11.789 1.00 0.00 H new ATOM 0 HG12 ILE B 378 4.108 15.251 -13.934 1.00 0.00 H new ATOM 0 HG13 ILE B 378 3.332 15.717 -12.433 1.00 0.00 H new ATOM 0 HG21 ILE B 378 4.936 16.623 -10.544 1.00 0.00 H new ATOM 0 HG22 ILE B 378 6.659 16.188 -10.648 1.00 0.00 H new ATOM 0 HG23 ILE B 378 6.000 17.470 -11.691 1.00 0.00 H new ATOM 0 HD11 ILE B 378 3.313 17.566 -14.040 1.00 0.00 H new ATOM 0 HD12 ILE B 378 4.302 17.983 -12.620 1.00 0.00 H new ATOM 0 HD13 ILE B 378 5.089 17.510 -14.144 1.00 0.00 H new ATOM 1274 N GLY B 379 8.625 13.910 -13.427 1.00 0.00 N ATOM 1275 CA GLY B 379 9.639 12.998 -12.933 1.00 0.00 C ATOM 1276 C GLY B 379 10.827 12.884 -13.866 1.00 0.00 C ATOM 1277 O GLY B 379 11.131 11.799 -14.362 1.00 0.00 O ATOM 0 H GLY B 379 8.720 14.166 -14.410 1.00 0.00 H new ATOM 0 HA2 GLY B 379 9.981 13.337 -11.955 1.00 0.00 H new ATOM 0 HA3 GLY B 379 9.197 12.012 -12.792 1.00 0.00 H new ATOM 1281 N TYR B 380 11.504 14.002 -14.103 1.00 0.00 N ATOM 1282 CA TYR B 380 12.668 14.010 -14.981 1.00 0.00 C ATOM 1283 C TYR B 380 13.779 13.141 -14.403 1.00 0.00 C ATOM 1284 O TYR B 380 14.242 12.200 -15.047 1.00 0.00 O ATOM 1285 CB TYR B 380 13.171 15.438 -15.204 1.00 0.00 C ATOM 1286 CG TYR B 380 13.404 16.219 -13.930 1.00 0.00 C ATOM 1287 CD1 TYR B 380 12.347 16.830 -13.264 1.00 0.00 C ATOM 1288 CD2 TYR B 380 14.680 16.354 -13.397 1.00 0.00 C ATOM 1289 CE1 TYR B 380 12.556 17.551 -12.105 1.00 0.00 C ATOM 1290 CE2 TYR B 380 14.896 17.074 -12.237 1.00 0.00 C ATOM 1291 CZ TYR B 380 13.830 17.670 -11.594 1.00 0.00 C ATOM 1292 OH TYR B 380 14.041 18.389 -10.439 1.00 0.00 O ATOM 0 H TYR B 380 11.269 14.910 -13.702 1.00 0.00 H new ATOM 0 HA TYR B 380 12.369 13.598 -15.945 1.00 0.00 H new ATOM 0 HB2 TYR B 380 14.103 15.399 -15.769 1.00 0.00 H new ATOM 0 HB3 TYR B 380 12.448 15.974 -15.819 1.00 0.00 H new ATOM 0 HD1 TYR B 380 11.346 16.739 -13.660 1.00 0.00 H new ATOM 0 HD2 TYR B 380 15.517 15.889 -13.897 1.00 0.00 H new ATOM 0 HE1 TYR B 380 11.724 18.020 -11.601 1.00 0.00 H new ATOM 0 HE2 TYR B 380 15.894 17.170 -11.836 1.00 0.00 H new ATOM 0 HH TYR B 380 13.272 18.973 -10.272 1.00 0.00 H new ATOM 1302 N ALA B 381 14.197 13.453 -13.180 1.00 0.00 N ATOM 1303 CA ALA B 381 15.249 12.685 -12.520 1.00 0.00 C ATOM 1304 C ALA B 381 15.790 13.401 -11.284 1.00 0.00 C ATOM 1305 O ALA B 381 16.968 13.268 -10.951 1.00 0.00 O ATOM 1306 CB ALA B 381 16.385 12.383 -13.487 1.00 0.00 C ATOM 0 H ALA B 381 13.827 14.227 -12.628 1.00 0.00 H new ATOM 0 HA ALA B 381 14.801 11.747 -12.192 1.00 0.00 H new ATOM 0 HB1 ALA B 381 17.157 11.810 -12.974 1.00 0.00 H new ATOM 0 HB2 ALA B 381 16.003 11.804 -14.328 1.00 0.00 H new ATOM 0 HB3 ALA B 381 16.810 13.318 -13.853 1.00 0.00 H new ATOM 1312 N SER B 382 14.933 14.159 -10.603 1.00 0.00 N ATOM 1313 CA SER B 382 15.345 14.883 -9.405 1.00 0.00 C ATOM 1314 C SER B 382 14.138 15.466 -8.677 1.00 0.00 C ATOM 1315 O SER B 382 14.242 16.489 -8.002 1.00 0.00 O ATOM 1316 CB SER B 382 16.322 16.002 -9.772 1.00 0.00 C ATOM 1317 OG SER B 382 17.314 16.162 -8.772 1.00 0.00 O ATOM 0 H SER B 382 13.954 14.287 -10.859 1.00 0.00 H new ATOM 0 HA SER B 382 15.842 14.178 -8.739 1.00 0.00 H new ATOM 0 HB2 SER B 382 16.797 15.776 -10.727 1.00 0.00 H new ATOM 0 HB3 SER B 382 15.777 16.937 -9.901 1.00 0.00 H new ATOM 0 HG SER B 382 17.927 16.882 -9.031 1.00 0.00 H new ATOM 1323 N LEU B 383 12.993 14.806 -8.815 1.00 0.00 N ATOM 1324 CA LEU B 383 11.767 15.258 -8.166 1.00 0.00 C ATOM 1325 C LEU B 383 11.401 14.331 -7.016 1.00 0.00 C ATOM 1326 O LEU B 383 10.253 14.311 -6.571 1.00 0.00 O ATOM 1327 CB LEU B 383 10.617 15.298 -9.171 1.00 0.00 C ATOM 1328 CG LEU B 383 9.732 16.543 -9.094 1.00 0.00 C ATOM 1329 CD1 LEU B 383 9.308 16.985 -10.485 1.00 0.00 C ATOM 1330 CD2 LEU B 383 8.513 16.272 -8.225 1.00 0.00 C ATOM 0 H LEU B 383 12.888 13.957 -9.370 1.00 0.00 H new ATOM 0 HA LEU B 383 11.939 16.261 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU B 383 11.031 15.227 -10.177 1.00 0.00 H new ATOM 0 HB3 LEU B 383 9.993 14.417 -9.021 1.00 0.00 H new ATOM 0 HG LEU B 383 10.309 17.349 -8.641 1.00 0.00 H new ATOM 0 HD11 LEU B 383 8.679 17.872 -10.409 1.00 0.00 H new ATOM 0 HD12 LEU B 383 10.192 17.217 -11.078 1.00 0.00 H new ATOM 0 HD13 LEU B 383 8.748 16.183 -10.967 1.00 0.00 H new ATOM 0 HD21 LEU B 383 7.892 17.167 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU B 383 7.936 15.452 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU B 383 8.836 16.003 -7.219 1.00 0.00 H new ATOM 1342 N ARG B 384 12.395 13.586 -6.535 1.00 0.00 N ATOM 1343 CA ARG B 384 12.212 12.652 -5.427 1.00 0.00 C ATOM 1344 C ARG B 384 10.772 12.157 -5.339 1.00 0.00 C ATOM 1345 O ARG B 384 10.232 11.980 -4.246 1.00 0.00 O ATOM 1346 CB ARG B 384 12.618 13.309 -4.109 1.00 0.00 C ATOM 1347 CG ARG B 384 13.790 12.623 -3.427 1.00 0.00 C ATOM 1348 CD ARG B 384 13.498 11.153 -3.172 1.00 0.00 C ATOM 1349 NE ARG B 384 14.520 10.531 -2.335 1.00 0.00 N ATOM 1350 CZ ARG B 384 14.472 9.264 -1.937 1.00 0.00 C ATOM 1351 NH1 ARG B 384 13.450 8.495 -2.284 1.00 0.00 N ATOM 1352 NH2 ARG B 384 15.447 8.768 -1.188 1.00 0.00 N ATOM 0 H ARG B 384 13.347 13.613 -6.901 1.00 0.00 H new ATOM 0 HA ARG B 384 12.852 11.790 -5.614 1.00 0.00 H new ATOM 0 HB2 ARG B 384 12.876 14.351 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG B 384 11.763 13.308 -3.433 1.00 0.00 H new ATOM 0 HG2 ARG B 384 14.681 12.716 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG B 384 14.007 13.122 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG B 384 12.525 11.055 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG B 384 13.437 10.625 -4.124 1.00 0.00 H new ATOM 0 HE ARG B 384 15.314 11.100 -2.040 1.00 0.00 H new ATOM 0 HH11 ARG B 384 12.698 8.875 -2.858 1.00 0.00 H new ATOM 0 HH12 ARG B 384 13.416 7.523 -1.977 1.00 0.00 H new ATOM 0 HH21 ARG B 384 16.233 9.359 -0.918 1.00 0.00 H new ATOM 0 HH22 ARG B 384 15.411 7.796 -0.882 1.00 0.00 H new ATOM 1366 N LEU B 385 10.151 11.939 -6.494 1.00 0.00 N ATOM 1367 CA LEU B 385 8.775 11.470 -6.535 1.00 0.00 C ATOM 1368 C LEU B 385 8.678 10.059 -5.993 1.00 0.00 C ATOM 1369 O LEU B 385 9.447 9.179 -6.378 1.00 0.00 O ATOM 1370 CB LEU B 385 8.223 11.527 -7.957 1.00 0.00 C ATOM 1371 CG LEU B 385 6.745 11.900 -8.056 1.00 0.00 C ATOM 1372 CD1 LEU B 385 6.481 12.680 -9.331 1.00 0.00 C ATOM 1373 CD2 LEU B 385 5.871 10.655 -7.992 1.00 0.00 C ATOM 0 H LEU B 385 10.579 12.080 -7.409 1.00 0.00 H new ATOM 0 HA LEU B 385 8.175 12.129 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU B 385 8.805 12.250 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU B 385 8.370 10.555 -8.428 1.00 0.00 H new ATOM 0 HG LEU B 385 6.491 12.535 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU B 385 5.424 12.938 -9.387 1.00 0.00 H new ATOM 0 HD12 LEU B 385 7.078 13.592 -9.330 1.00 0.00 H new ATOM 0 HD13 LEU B 385 6.752 12.070 -10.193 1.00 0.00 H new ATOM 0 HD21 LEU B 385 4.822 10.943 -8.064 1.00 0.00 H new ATOM 0 HD22 LEU B 385 6.123 9.991 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU B 385 6.041 10.139 -7.047 1.00 0.00 H new ATOM 1385 N HIS B 386 7.736 9.849 -5.085 1.00 0.00 N ATOM 1386 CA HIS B 386 7.560 8.535 -4.487 1.00 0.00 C ATOM 1387 C HIS B 386 6.257 8.428 -3.707 1.00 0.00 C ATOM 1388 O HIS B 386 5.922 9.295 -2.897 1.00 0.00 O ATOM 1389 CB HIS B 386 8.738 8.220 -3.563 1.00 0.00 C ATOM 1390 CG HIS B 386 8.798 9.095 -2.349 1.00 0.00 C ATOM 1391 ND1 HIS B 386 9.833 9.975 -2.105 1.00 0.00 N ATOM 1392 CD2 HIS B 386 7.943 9.226 -1.307 1.00 0.00 C ATOM 1393 CE1 HIS B 386 9.612 10.607 -0.966 1.00 0.00 C ATOM 1394 NE2 HIS B 386 8.472 10.170 -0.464 1.00 0.00 N ATOM 0 H HIS B 386 7.089 10.563 -4.750 1.00 0.00 H new ATOM 0 HA HIS B 386 7.519 7.811 -5.301 1.00 0.00 H new ATOM 0 HB2 HIS B 386 8.673 7.179 -3.247 1.00 0.00 H new ATOM 0 HB3 HIS B 386 9.667 8.326 -4.123 1.00 0.00 H new ATOM 0 HD1 HIS B 386 10.642 10.115 -2.710 1.00 0.00 H new ATOM 0 HD2 HIS B 386 7.017 8.688 -1.166 1.00 0.00 H new ATOM 0 HE1 HIS B 386 10.254 11.353 -0.522 1.00 0.00 H new ATOM 1403 N TYR B 387 5.540 7.340 -3.942 1.00 0.00 N ATOM 1404 CA TYR B 387 4.293 7.090 -3.245 1.00 0.00 C ATOM 1405 C TYR B 387 4.593 6.404 -1.924 1.00 0.00 C ATOM 1406 O TYR B 387 5.755 6.165 -1.591 1.00 0.00 O ATOM 1407 CB TYR B 387 3.374 6.200 -4.083 1.00 0.00 C ATOM 1408 CG TYR B 387 2.755 6.904 -5.266 1.00 0.00 C ATOM 1409 CD1 TYR B 387 3.518 7.239 -6.376 1.00 0.00 C ATOM 1410 CD2 TYR B 387 1.405 7.230 -5.274 1.00 0.00 C ATOM 1411 CE1 TYR B 387 2.955 7.880 -7.461 1.00 0.00 C ATOM 1412 CE2 TYR B 387 0.833 7.869 -6.355 1.00 0.00 C ATOM 1413 CZ TYR B 387 1.612 8.193 -7.446 1.00 0.00 C ATOM 1414 OH TYR B 387 1.045 8.830 -8.527 1.00 0.00 O ATOM 0 H TYR B 387 5.803 6.617 -4.611 1.00 0.00 H new ATOM 0 HA TYR B 387 3.789 8.041 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR B 387 3.943 5.341 -4.440 1.00 0.00 H new ATOM 0 HB3 TYR B 387 2.579 5.813 -3.446 1.00 0.00 H new ATOM 0 HD1 TYR B 387 4.570 6.994 -6.391 1.00 0.00 H new ATOM 0 HD2 TYR B 387 0.793 6.979 -4.420 1.00 0.00 H new ATOM 0 HE1 TYR B 387 3.563 8.135 -8.317 1.00 0.00 H new ATOM 0 HE2 TYR B 387 -0.219 8.114 -6.347 1.00 0.00 H new ATOM 0 HH TYR B 387 0.132 9.105 -8.302 1.00 0.00 H new ATOM 1424 N VAL B 388 3.554 6.055 -1.189 1.00 0.00 N ATOM 1425 CA VAL B 388 3.734 5.359 0.076 1.00 0.00 C ATOM 1426 C VAL B 388 2.463 4.650 0.502 1.00 0.00 C ATOM 1427 O VAL B 388 1.462 5.281 0.843 1.00 0.00 O ATOM 1428 CB VAL B 388 4.207 6.289 1.203 1.00 0.00 C ATOM 1429 CG1 VAL B 388 5.600 5.880 1.647 1.00 0.00 C ATOM 1430 CG2 VAL B 388 4.180 7.743 0.763 1.00 0.00 C ATOM 0 H VAL B 388 2.583 6.239 -1.441 1.00 0.00 H new ATOM 0 HA VAL B 388 4.517 4.621 -0.098 1.00 0.00 H new ATOM 0 HB VAL B 388 3.524 6.194 2.047 1.00 0.00 H new ATOM 0 HG11 VAL B 388 5.935 6.540 2.447 1.00 0.00 H new ATOM 0 HG12 VAL B 388 5.579 4.852 2.010 1.00 0.00 H new ATOM 0 HG13 VAL B 388 6.287 5.953 0.804 1.00 0.00 H new ATOM 0 HG21 VAL B 388 4.520 8.377 1.582 1.00 0.00 H new ATOM 0 HG22 VAL B 388 4.838 7.875 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL B 388 3.163 8.021 0.487 1.00 0.00 H new ATOM 1440 N THR B 389 2.519 3.327 0.473 1.00 0.00 N ATOM 1441 CA THR B 389 1.380 2.502 0.847 1.00 0.00 C ATOM 1442 C THR B 389 1.186 2.494 2.357 1.00 0.00 C ATOM 1443 O THR B 389 2.036 2.008 3.103 1.00 0.00 O ATOM 1444 CB THR B 389 1.549 1.054 0.339 1.00 0.00 C ATOM 1445 OG1 THR B 389 1.193 0.945 -1.045 1.00 0.00 O ATOM 1446 CG2 THR B 389 0.685 0.081 1.133 1.00 0.00 C ATOM 0 H THR B 389 3.346 2.799 0.193 1.00 0.00 H new ATOM 0 HA THR B 389 0.497 2.937 0.378 1.00 0.00 H new ATOM 0 HB THR B 389 2.601 0.800 0.471 1.00 0.00 H new ATOM 0 HG1 THR B 389 1.311 0.018 -1.341 1.00 0.00 H new ATOM 0 HG21 THR B 389 0.828 -0.929 0.749 1.00 0.00 H new ATOM 0 HG22 THR B 389 0.972 0.114 2.184 1.00 0.00 H new ATOM 0 HG23 THR B 389 -0.364 0.361 1.034 1.00 0.00 H new ATOM 1454 N VAL B 390 0.054 3.026 2.798 1.00 0.00 N ATOM 1455 CA VAL B 390 -0.262 3.072 4.214 1.00 0.00 C ATOM 1456 C VAL B 390 -1.623 2.440 4.480 1.00 0.00 C ATOM 1457 O VAL B 390 -2.505 2.447 3.616 1.00 0.00 O ATOM 1458 CB VAL B 390 -0.251 4.516 4.748 1.00 0.00 C ATOM 1459 CG1 VAL B 390 1.102 5.166 4.502 1.00 0.00 C ATOM 1460 CG2 VAL B 390 -1.362 5.332 4.111 1.00 0.00 C ATOM 0 H VAL B 390 -0.660 3.431 2.193 1.00 0.00 H new ATOM 0 HA VAL B 390 0.508 2.505 4.737 1.00 0.00 H new ATOM 0 HB VAL B 390 -0.426 4.485 5.823 1.00 0.00 H new ATOM 0 HG11 VAL B 390 1.091 6.186 4.886 1.00 0.00 H new ATOM 0 HG12 VAL B 390 1.878 4.595 5.012 1.00 0.00 H new ATOM 0 HG13 VAL B 390 1.308 5.183 3.432 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -1.337 6.349 4.502 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -1.223 5.355 3.030 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.326 4.878 4.343 1.00 0.00 H new ATOM 1470 N LYS B 391 -1.786 1.884 5.674 1.00 0.00 N ATOM 1471 CA LYS B 391 -3.036 1.241 6.050 1.00 0.00 C ATOM 1472 C LYS B 391 -3.118 -0.158 5.449 1.00 0.00 C ATOM 1473 O LYS B 391 -4.121 -0.523 4.836 1.00 0.00 O ATOM 1474 CB LYS B 391 -4.216 2.090 5.583 1.00 0.00 C ATOM 1475 CG LYS B 391 -5.321 2.228 6.617 1.00 0.00 C ATOM 1476 CD LYS B 391 -5.628 0.899 7.286 1.00 0.00 C ATOM 1477 CE LYS B 391 -5.566 1.012 8.801 1.00 0.00 C ATOM 1478 NZ LYS B 391 -6.190 -0.161 9.473 1.00 0.00 N ATOM 0 H LYS B 391 -1.067 1.866 6.398 1.00 0.00 H new ATOM 0 HA LYS B 391 -3.073 1.150 7.136 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -3.854 3.083 5.317 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -4.632 1.649 4.677 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -5.025 2.957 7.372 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -6.222 2.612 6.139 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -6.619 0.559 6.985 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -4.916 0.146 6.947 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -4.526 1.100 9.116 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -6.073 1.924 9.118 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -6.127 -0.044 10.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -7.189 -0.230 9.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -5.691 -1.029 9.191 1.00 0.00 H new ATOM 1492 N LYS B 392 -2.049 -0.931 5.629 1.00 0.00 N ATOM 1493 CA LYS B 392 -1.979 -2.293 5.107 1.00 0.00 C ATOM 1494 C LYS B 392 -3.355 -2.948 5.096 1.00 0.00 C ATOM 1495 O LYS B 392 -4.049 -2.977 6.112 1.00 0.00 O ATOM 1496 CB LYS B 392 -1.010 -3.129 5.948 1.00 0.00 C ATOM 1497 CG LYS B 392 0.388 -2.537 6.033 1.00 0.00 C ATOM 1498 CD LYS B 392 1.357 -3.488 6.719 1.00 0.00 C ATOM 1499 CE LYS B 392 2.801 -3.113 6.434 1.00 0.00 C ATOM 1500 NZ LYS B 392 3.666 -4.314 6.266 1.00 0.00 N ATOM 0 H LYS B 392 -1.215 -0.634 6.136 1.00 0.00 H new ATOM 0 HA LYS B 392 -1.616 -2.244 4.080 1.00 0.00 H new ATOM 0 HB2 LYS B 392 -1.413 -3.234 6.955 1.00 0.00 H new ATOM 0 HB3 LYS B 392 -0.946 -4.131 5.525 1.00 0.00 H new ATOM 0 HG2 LYS B 392 0.749 -2.309 5.030 1.00 0.00 H new ATOM 0 HG3 LYS B 392 0.352 -1.595 6.580 1.00 0.00 H new ATOM 0 HD2 LYS B 392 1.182 -3.474 7.795 1.00 0.00 H new ATOM 0 HD3 LYS B 392 1.171 -4.507 6.379 1.00 0.00 H new ATOM 0 HE2 LYS B 392 2.846 -2.504 5.531 1.00 0.00 H new ATOM 0 HE3 LYS B 392 3.185 -2.501 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 392 4.643 -4.014 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 392 3.644 -4.882 7.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 392 3.316 -4.885 5.471 1.00 0.00 H new ATOM 1514 N PRO B 393 -3.770 -3.487 3.939 1.00 0.00 N ATOM 1515 CA PRO B 393 -5.069 -4.146 3.794 1.00 0.00 C ATOM 1516 C PRO B 393 -5.244 -5.287 4.783 1.00 0.00 C ATOM 1517 O PRO B 393 -4.434 -5.466 5.693 1.00 0.00 O ATOM 1518 CB PRO B 393 -5.060 -4.683 2.357 1.00 0.00 C ATOM 1519 CG PRO B 393 -3.634 -4.628 1.920 1.00 0.00 C ATOM 1520 CD PRO B 393 -3.006 -3.498 2.685 1.00 0.00 C ATOM 0 HA PRO B 393 -5.891 -3.459 3.992 1.00 0.00 H new ATOM 0 HB2 PRO B 393 -5.444 -5.702 2.317 1.00 0.00 H new ATOM 0 HB3 PRO B 393 -5.693 -4.078 1.708 1.00 0.00 H new ATOM 0 HG2 PRO B 393 -3.126 -5.570 2.129 1.00 0.00 H new ATOM 0 HG3 PRO B 393 -3.562 -4.458 0.846 1.00 0.00 H new ATOM 0 HD2 PRO B 393 -1.944 -3.670 2.860 1.00 0.00 H new ATOM 0 HD3 PRO B 393 -3.092 -2.552 2.151 1.00 0.00 H new ATOM 1528 N THR B 394 -6.308 -6.059 4.598 1.00 0.00 N ATOM 1529 CA THR B 394 -6.593 -7.186 5.477 1.00 0.00 C ATOM 1530 C THR B 394 -7.688 -8.071 4.893 1.00 0.00 C ATOM 1531 O THR B 394 -8.360 -7.693 3.935 1.00 0.00 O ATOM 1532 CB THR B 394 -7.022 -6.722 6.886 1.00 0.00 C ATOM 1533 OG1 THR B 394 -8.367 -7.126 7.181 1.00 0.00 O ATOM 1534 CG2 THR B 394 -6.931 -5.207 7.022 1.00 0.00 C ATOM 0 H THR B 394 -6.987 -5.925 3.848 1.00 0.00 H new ATOM 0 HA THR B 394 -5.668 -7.756 5.562 1.00 0.00 H new ATOM 0 HB THR B 394 -6.337 -7.193 7.591 1.00 0.00 H new ATOM 0 HG1 THR B 394 -8.777 -6.477 7.790 1.00 0.00 H new ATOM 0 HG21 THR B 394 -7.240 -4.913 8.025 1.00 0.00 H new ATOM 0 HG22 THR B 394 -5.903 -4.887 6.850 1.00 0.00 H new ATOM 0 HG23 THR B 394 -7.585 -4.736 6.288 1.00 0.00 H new ATOM 1542 N ALA B 395 -7.865 -9.251 5.480 1.00 0.00 N ATOM 1543 CA ALA B 395 -8.883 -10.184 5.016 1.00 0.00 C ATOM 1544 C ALA B 395 -10.282 -9.685 5.370 1.00 0.00 C ATOM 1545 O ALA B 395 -11.282 -10.218 4.890 1.00 0.00 O ATOM 1546 CB ALA B 395 -8.650 -11.576 5.585 1.00 0.00 C ATOM 0 H ALA B 395 -7.318 -9.582 6.275 1.00 0.00 H new ATOM 0 HA ALA B 395 -8.807 -10.246 3.930 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -9.425 -12.252 5.222 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -7.673 -11.940 5.267 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -8.685 -11.535 6.674 1.00 0.00 H new ATOM 1552 N VAL B 396 -10.344 -8.642 6.197 1.00 0.00 N ATOM 1553 CA VAL B 396 -11.614 -8.051 6.596 1.00 0.00 C ATOM 1554 C VAL B 396 -11.589 -6.549 6.359 1.00 0.00 C ATOM 1555 O VAL B 396 -12.458 -5.812 6.825 1.00 0.00 O ATOM 1556 CB VAL B 396 -11.942 -8.322 8.078 1.00 0.00 C ATOM 1557 CG1 VAL B 396 -12.041 -9.817 8.345 1.00 0.00 C ATOM 1558 CG2 VAL B 396 -10.903 -7.678 8.982 1.00 0.00 C ATOM 0 H VAL B 396 -9.525 -8.190 6.603 1.00 0.00 H new ATOM 0 HA VAL B 396 -12.389 -8.517 5.987 1.00 0.00 H new ATOM 0 HB VAL B 396 -12.911 -7.875 8.301 1.00 0.00 H new ATOM 0 HG11 VAL B 396 -12.273 -9.984 9.397 1.00 0.00 H new ATOM 0 HG12 VAL B 396 -12.830 -10.246 7.727 1.00 0.00 H new ATOM 0 HG13 VAL B 396 -11.091 -10.294 8.103 1.00 0.00 H new ATOM 0 HG21 VAL B 396 -11.152 -7.880 10.024 1.00 0.00 H new ATOM 0 HG22 VAL B 396 -9.919 -8.090 8.757 1.00 0.00 H new ATOM 0 HG23 VAL B 396 -10.892 -6.601 8.814 1.00 0.00 H new ATOM 1568 N ASP B 397 -10.581 -6.114 5.616 1.00 0.00 N ATOM 1569 CA ASP B 397 -10.410 -4.711 5.281 1.00 0.00 C ATOM 1570 C ASP B 397 -9.423 -4.569 4.125 1.00 0.00 C ATOM 1571 O ASP B 397 -8.402 -3.890 4.240 1.00 0.00 O ATOM 1572 CB ASP B 397 -9.920 -3.924 6.500 1.00 0.00 C ATOM 1573 CG ASP B 397 -10.815 -2.744 6.823 1.00 0.00 C ATOM 1574 OD1 ASP B 397 -11.912 -2.653 6.234 1.00 0.00 O ATOM 1575 OD2 ASP B 397 -10.420 -1.911 7.666 1.00 0.00 O ATOM 0 H ASP B 397 -9.861 -6.724 5.230 1.00 0.00 H new ATOM 0 HA ASP B 397 -11.374 -4.303 4.975 1.00 0.00 H new ATOM 0 HB2 ASP B 397 -9.873 -4.588 7.363 1.00 0.00 H new ATOM 0 HB3 ASP B 397 -8.906 -3.568 6.316 1.00 0.00 H new ATOM 1580 N PRO B 398 -9.718 -5.232 2.994 1.00 0.00 N ATOM 1581 CA PRO B 398 -8.859 -5.207 1.802 1.00 0.00 C ATOM 1582 C PRO B 398 -8.535 -3.796 1.326 1.00 0.00 C ATOM 1583 O PRO B 398 -7.575 -3.590 0.583 1.00 0.00 O ATOM 1584 CB PRO B 398 -9.691 -5.935 0.747 1.00 0.00 C ATOM 1585 CG PRO B 398 -10.615 -6.808 1.520 1.00 0.00 C ATOM 1586 CD PRO B 398 -10.913 -6.072 2.794 1.00 0.00 C ATOM 0 HA PRO B 398 -7.890 -5.664 2.004 1.00 0.00 H new ATOM 0 HB2 PRO B 398 -10.242 -5.231 0.124 1.00 0.00 H new ATOM 0 HB3 PRO B 398 -9.058 -6.522 0.081 1.00 0.00 H new ATOM 0 HG2 PRO B 398 -11.529 -7.002 0.959 1.00 0.00 H new ATOM 0 HG3 PRO B 398 -10.156 -7.775 1.726 1.00 0.00 H new ATOM 0 HD2 PRO B 398 -11.817 -5.469 2.707 1.00 0.00 H new ATOM 0 HD3 PRO B 398 -11.066 -6.758 3.627 1.00 0.00 H new ATOM 1594 N ASN B 399 -9.335 -2.828 1.751 1.00 0.00 N ATOM 1595 CA ASN B 399 -9.135 -1.448 1.366 1.00 0.00 C ATOM 1596 C ASN B 399 -7.827 -0.900 1.917 1.00 0.00 C ATOM 1597 O ASN B 399 -7.454 -1.164 3.060 1.00 0.00 O ATOM 1598 CB ASN B 399 -10.299 -0.589 1.859 1.00 0.00 C ATOM 1599 CG ASN B 399 -10.282 -0.402 3.361 1.00 0.00 C ATOM 1600 OD1 ASN B 399 -9.534 -1.071 4.075 1.00 0.00 O ATOM 1601 ND2 ASN B 399 -11.114 0.504 3.851 1.00 0.00 N ATOM 0 H ASN B 399 -10.133 -2.980 2.367 1.00 0.00 H new ATOM 0 HA ASN B 399 -9.089 -1.412 0.278 1.00 0.00 H new ATOM 0 HB2 ASN B 399 -10.259 0.386 1.374 1.00 0.00 H new ATOM 0 HB3 ASN B 399 -11.240 -1.053 1.564 1.00 0.00 H new ATOM 0 HD21 ASN B 399 -11.153 0.670 4.857 1.00 0.00 H new ATOM 0 HD22 ASN B 399 -11.716 1.036 3.223 1.00 0.00 H new ATOM 1608 N SER B 400 -7.144 -0.125 1.093 1.00 0.00 N ATOM 1609 CA SER B 400 -5.883 0.486 1.477 1.00 0.00 C ATOM 1610 C SER B 400 -5.843 1.928 0.997 1.00 0.00 C ATOM 1611 O SER B 400 -6.616 2.311 0.115 1.00 0.00 O ATOM 1612 CB SER B 400 -4.706 -0.297 0.893 1.00 0.00 C ATOM 1613 OG SER B 400 -3.475 0.157 1.429 1.00 0.00 O ATOM 0 H SER B 400 -7.445 0.098 0.144 1.00 0.00 H new ATOM 0 HA SER B 400 -5.802 0.468 2.564 1.00 0.00 H new ATOM 0 HB2 SER B 400 -4.830 -1.359 1.107 1.00 0.00 H new ATOM 0 HB3 SER B 400 -4.696 -0.189 -0.192 1.00 0.00 H new ATOM 0 HG SER B 400 -2.739 -0.360 1.041 1.00 0.00 H new ATOM 1619 N ILE B 401 -4.954 2.724 1.590 1.00 0.00 N ATOM 1620 CA ILE B 401 -4.823 4.124 1.229 1.00 0.00 C ATOM 1621 C ILE B 401 -3.369 4.484 0.926 1.00 0.00 C ATOM 1622 O ILE B 401 -2.511 4.468 1.809 1.00 0.00 O ATOM 1623 CB ILE B 401 -5.362 5.024 2.349 1.00 0.00 C ATOM 1624 CG1 ILE B 401 -5.225 6.500 1.975 1.00 0.00 C ATOM 1625 CG2 ILE B 401 -4.648 4.730 3.654 1.00 0.00 C ATOM 1626 CD1 ILE B 401 -5.820 6.840 0.627 1.00 0.00 C ATOM 0 H ILE B 401 -4.315 2.417 2.323 1.00 0.00 H new ATOM 0 HA ILE B 401 -5.412 4.289 0.327 1.00 0.00 H new ATOM 0 HB ILE B 401 -6.422 4.809 2.481 1.00 0.00 H new ATOM 0 HG12 ILE B 401 -5.709 7.107 2.740 1.00 0.00 H new ATOM 0 HG13 ILE B 401 -4.169 6.770 1.975 1.00 0.00 H new ATOM 0 HG21 ILE B 401 -5.042 5.377 4.438 1.00 0.00 H new ATOM 0 HG22 ILE B 401 -4.808 3.687 3.929 1.00 0.00 H new ATOM 0 HG23 ILE B 401 -3.580 4.914 3.534 1.00 0.00 H new ATOM 0 HD11 ILE B 401 -5.686 7.903 0.428 1.00 0.00 H new ATOM 0 HD12 ILE B 401 -5.319 6.260 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE B 401 -6.884 6.602 0.628 1.00 0.00 H new ATOM 1638 N VAL B 402 -3.111 4.802 -0.337 1.00 0.00 N ATOM 1639 CA VAL B 402 -1.779 5.166 -0.796 1.00 0.00 C ATOM 1640 C VAL B 402 -1.459 6.611 -0.439 1.00 0.00 C ATOM 1641 O VAL B 402 -2.356 7.392 -0.122 1.00 0.00 O ATOM 1642 CB VAL B 402 -1.662 4.991 -2.324 1.00 0.00 C ATOM 1643 CG1 VAL B 402 -0.219 4.767 -2.739 1.00 0.00 C ATOM 1644 CG2 VAL B 402 -2.542 3.845 -2.796 1.00 0.00 C ATOM 0 H VAL B 402 -3.820 4.814 -1.070 1.00 0.00 H new ATOM 0 HA VAL B 402 -1.069 4.505 -0.299 1.00 0.00 H new ATOM 0 HB VAL B 402 -2.007 5.910 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL B 402 -0.166 4.647 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL B 402 0.383 5.625 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL B 402 0.163 3.868 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL B 402 -2.448 3.735 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL B 402 -2.229 2.922 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL B 402 -3.581 4.056 -2.542 1.00 0.00 H new ATOM 1654 N GLU B 403 -0.180 6.966 -0.509 1.00 0.00 N ATOM 1655 CA GLU B 403 0.253 8.324 -0.205 1.00 0.00 C ATOM 1656 C GLU B 403 1.208 8.838 -1.271 1.00 0.00 C ATOM 1657 O GLU B 403 2.371 8.441 -1.329 1.00 0.00 O ATOM 1658 CB GLU B 403 0.914 8.385 1.172 1.00 0.00 C ATOM 1659 CG GLU B 403 -0.017 8.878 2.266 1.00 0.00 C ATOM 1660 CD GLU B 403 0.118 10.367 2.519 1.00 0.00 C ATOM 1661 OE1 GLU B 403 0.936 11.012 1.830 1.00 0.00 O ATOM 1662 OE2 GLU B 403 -0.594 10.887 3.402 1.00 0.00 O ATOM 0 H GLU B 403 0.574 6.332 -0.774 1.00 0.00 H new ATOM 0 HA GLU B 403 -0.629 8.964 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU B 403 1.279 7.393 1.436 1.00 0.00 H new ATOM 0 HB3 GLU B 403 1.783 9.041 1.121 1.00 0.00 H new ATOM 0 HG2 GLU B 403 -1.047 8.652 1.991 1.00 0.00 H new ATOM 0 HG3 GLU B 403 0.193 8.336 3.188 1.00 0.00 H new ATOM 1669 N CYS B 404 0.709 9.738 -2.101 1.00 0.00 N ATOM 1670 CA CYS B 404 1.513 10.331 -3.152 1.00 0.00 C ATOM 1671 C CYS B 404 2.261 11.518 -2.582 1.00 0.00 C ATOM 1672 O CYS B 404 1.655 12.551 -2.283 1.00 0.00 O ATOM 1673 CB CYS B 404 0.632 10.774 -4.316 1.00 0.00 C ATOM 1674 SG CYS B 404 1.466 10.744 -5.917 1.00 0.00 S ATOM 0 H CYS B 404 -0.253 10.074 -2.066 1.00 0.00 H new ATOM 0 HA CYS B 404 2.221 9.592 -3.527 1.00 0.00 H new ATOM 0 HB2 CYS B 404 -0.245 10.128 -4.362 1.00 0.00 H new ATOM 0 HB3 CYS B 404 0.273 11.785 -4.123 1.00 0.00 H new ATOM 0 HG CYS B 404 1.435 9.537 -6.400 1.00 0.00 H new ATOM 1680 N ARG B 405 3.571 11.370 -2.421 1.00 0.00 N ATOM 1681 CA ARG B 405 4.380 12.446 -1.868 1.00 0.00 C ATOM 1682 C ARG B 405 5.720 12.559 -2.586 1.00 0.00 C ATOM 1683 O ARG B 405 6.240 11.579 -3.118 1.00 0.00 O ATOM 1684 CB ARG B 405 4.579 12.225 -0.365 1.00 0.00 C ATOM 1685 CG ARG B 405 5.892 11.547 -0.002 1.00 0.00 C ATOM 1686 CD ARG B 405 5.838 10.914 1.382 1.00 0.00 C ATOM 1687 NE ARG B 405 4.582 11.193 2.073 1.00 0.00 N ATOM 1688 CZ ARG B 405 4.277 12.377 2.594 1.00 0.00 C ATOM 1689 NH1 ARG B 405 5.130 13.386 2.493 1.00 0.00 N ATOM 1690 NH2 ARG B 405 3.118 12.553 3.213 1.00 0.00 N ATOM 0 H ARG B 405 4.089 10.525 -2.663 1.00 0.00 H new ATOM 0 HA ARG B 405 3.853 13.388 -2.019 1.00 0.00 H new ATOM 0 HB2 ARG B 405 4.528 13.188 0.142 1.00 0.00 H new ATOM 0 HB3 ARG B 405 3.754 11.621 0.014 1.00 0.00 H new ATOM 0 HG2 ARG B 405 6.123 10.782 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG B 405 6.700 12.278 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG B 405 5.968 9.836 1.291 1.00 0.00 H new ATOM 0 HD3 ARG B 405 6.669 11.285 1.981 1.00 0.00 H new ATOM 0 HE ARG B 405 3.902 10.438 2.161 1.00 0.00 H new ATOM 0 HH11 ARG B 405 6.021 13.254 2.015 1.00 0.00 H new ATOM 0 HH12 ARG B 405 4.895 14.294 2.893 1.00 0.00 H new ATOM 0 HH21 ARG B 405 2.458 11.779 3.290 1.00 0.00 H new ATOM 0 HH22 ARG B 405 2.886 13.463 3.612 1.00 0.00 H new ATOM 1704 N VAL B 406 6.266 13.768 -2.606 1.00 0.00 N ATOM 1705 CA VAL B 406 7.535 14.024 -3.270 1.00 0.00 C ATOM 1706 C VAL B 406 8.552 14.628 -2.315 1.00 0.00 C ATOM 1707 O VAL B 406 8.274 15.626 -1.650 1.00 0.00 O ATOM 1708 CB VAL B 406 7.351 14.977 -4.460 1.00 0.00 C ATOM 1709 CG1 VAL B 406 7.226 14.191 -5.747 1.00 0.00 C ATOM 1710 CG2 VAL B 406 6.128 15.847 -4.251 1.00 0.00 C ATOM 0 H VAL B 406 5.847 14.589 -2.168 1.00 0.00 H new ATOM 0 HA VAL B 406 7.904 13.062 -3.624 1.00 0.00 H new ATOM 0 HB VAL B 406 8.227 15.621 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL B 406 7.096 14.879 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL B 406 8.128 13.599 -5.901 1.00 0.00 H new ATOM 0 HG13 VAL B 406 6.363 13.528 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL B 406 6.009 16.518 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL B 406 5.244 15.216 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL B 406 6.250 16.434 -3.341 1.00 0.00 H new ATOM 1720 N GLY B 407 9.723 13.999 -2.247 1.00 0.00 N ATOM 1721 CA GLY B 407 10.784 14.458 -1.365 1.00 0.00 C ATOM 1722 C GLY B 407 10.753 15.951 -1.097 1.00 0.00 C ATOM 1723 O GLY B 407 11.068 16.392 0.007 1.00 0.00 O ATOM 0 H GLY B 407 9.958 13.170 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY B 407 10.711 13.926 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY B 407 11.747 14.197 -1.804 1.00 0.00 H new ATOM 1727 N ASP B 408 10.373 16.732 -2.102 1.00 0.00 N ATOM 1728 CA ASP B 408 10.306 18.180 -1.952 1.00 0.00 C ATOM 1729 C ASP B 408 9.454 18.543 -0.745 1.00 0.00 C ATOM 1730 O ASP B 408 9.557 19.641 -0.198 1.00 0.00 O ATOM 1731 CB ASP B 408 9.726 18.824 -3.213 1.00 0.00 C ATOM 1732 CG ASP B 408 9.851 20.335 -3.200 1.00 0.00 C ATOM 1733 OD1 ASP B 408 10.322 20.883 -2.182 1.00 0.00 O ATOM 1734 OD2 ASP B 408 9.477 20.971 -4.208 1.00 0.00 O ATOM 0 H ASP B 408 10.108 16.388 -3.025 1.00 0.00 H new ATOM 0 HA ASP B 408 11.317 18.558 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP B 408 10.239 18.427 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP B 408 8.675 18.550 -3.307 1.00 0.00 H new ATOM 1739 N GLY B 409 8.610 17.603 -0.338 1.00 0.00 N ATOM 1740 CA GLY B 409 7.741 17.820 0.797 1.00 0.00 C ATOM 1741 C GLY B 409 6.325 18.147 0.375 1.00 0.00 C ATOM 1742 O GLY B 409 5.697 19.050 0.929 1.00 0.00 O ATOM 0 H GLY B 409 8.514 16.688 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY B 409 7.735 16.929 1.424 1.00 0.00 H new ATOM 0 HA3 GLY B 409 8.135 18.635 1.404 1.00 0.00 H new ATOM 1746 N THR B 410 5.823 17.419 -0.620 1.00 0.00 N ATOM 1747 CA THR B 410 4.474 17.652 -1.122 1.00 0.00 C ATOM 1748 C THR B 410 3.733 16.342 -1.385 1.00 0.00 C ATOM 1749 O THR B 410 4.269 15.427 -2.006 1.00 0.00 O ATOM 1750 CB THR B 410 4.503 18.487 -2.419 1.00 0.00 C ATOM 1751 OG1 THR B 410 4.837 19.853 -2.149 1.00 0.00 O ATOM 1752 CG2 THR B 410 3.157 18.450 -3.126 1.00 0.00 C ATOM 0 H THR B 410 6.327 16.668 -1.091 1.00 0.00 H new ATOM 0 HA THR B 410 3.942 18.204 -0.347 1.00 0.00 H new ATOM 0 HB THR B 410 5.265 18.045 -3.061 1.00 0.00 H new ATOM 0 HG1 THR B 410 4.850 20.359 -2.988 1.00 0.00 H new ATOM 0 HG21 THR B 410 3.208 19.047 -4.036 1.00 0.00 H new ATOM 0 HG22 THR B 410 2.908 17.420 -3.381 1.00 0.00 H new ATOM 0 HG23 THR B 410 2.389 18.856 -2.468 1.00 0.00 H new ATOM 1760 N VAL B 411 2.491 16.269 -0.917 1.00 0.00 N ATOM 1761 CA VAL B 411 1.661 15.084 -1.109 1.00 0.00 C ATOM 1762 C VAL B 411 0.779 15.241 -2.341 1.00 0.00 C ATOM 1763 O VAL B 411 -0.352 15.719 -2.249 1.00 0.00 O ATOM 1764 CB VAL B 411 0.765 14.821 0.116 1.00 0.00 C ATOM 1765 CG1 VAL B 411 -0.014 13.527 -0.062 1.00 0.00 C ATOM 1766 CG2 VAL B 411 1.597 14.785 1.389 1.00 0.00 C ATOM 0 H VAL B 411 2.035 17.020 -0.399 1.00 0.00 H new ATOM 0 HA VAL B 411 2.334 14.237 -1.243 1.00 0.00 H new ATOM 0 HB VAL B 411 0.049 15.638 0.204 1.00 0.00 H new ATOM 0 HG11 VAL B 411 -0.642 13.357 0.813 1.00 0.00 H new ATOM 0 HG12 VAL B 411 -0.641 13.599 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL B 411 0.682 12.696 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL B 411 0.947 14.598 2.244 1.00 0.00 H new ATOM 0 HG22 VAL B 411 2.339 13.989 1.317 1.00 0.00 H new ATOM 0 HG23 VAL B 411 2.103 15.742 1.520 1.00 0.00 H new ATOM 1776 N LEU B 412 1.304 14.849 -3.499 1.00 0.00 N ATOM 1777 CA LEU B 412 0.568 14.960 -4.756 1.00 0.00 C ATOM 1778 C LEU B 412 -0.823 14.338 -4.666 1.00 0.00 C ATOM 1779 O LEU B 412 -1.665 14.577 -5.531 1.00 0.00 O ATOM 1780 CB LEU B 412 1.353 14.305 -5.896 1.00 0.00 C ATOM 1781 CG LEU B 412 2.819 14.734 -6.026 1.00 0.00 C ATOM 1782 CD1 LEU B 412 3.082 16.029 -5.270 1.00 0.00 C ATOM 1783 CD2 LEU B 412 3.741 13.631 -5.528 1.00 0.00 C ATOM 0 H LEU B 412 2.238 14.451 -3.593 1.00 0.00 H new ATOM 0 HA LEU B 412 0.445 16.024 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU B 412 1.321 13.224 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU B 412 0.845 14.524 -6.835 1.00 0.00 H new ATOM 0 HG LEU B 412 3.025 14.913 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU B 412 4.130 16.308 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU B 412 2.451 16.821 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU B 412 2.854 15.886 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU B 412 4.778 13.951 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU B 412 3.525 13.421 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU B 412 3.582 12.729 -6.119 1.00 0.00 H new ATOM 1795 N GLY B 413 -1.082 13.559 -3.620 1.00 0.00 N ATOM 1796 CA GLY B 413 -2.397 12.963 -3.478 1.00 0.00 C ATOM 1797 C GLY B 413 -2.390 11.676 -2.686 1.00 0.00 C ATOM 1798 O GLY B 413 -1.415 11.355 -2.008 1.00 0.00 O ATOM 0 H GLY B 413 -0.417 13.333 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY B 413 -3.061 13.677 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY B 413 -2.809 12.769 -4.468 1.00 0.00 H new ATOM 1802 N THR B 414 -3.490 10.941 -2.773 1.00 0.00 N ATOM 1803 CA THR B 414 -3.630 9.680 -2.067 1.00 0.00 C ATOM 1804 C THR B 414 -4.381 8.668 -2.923 1.00 0.00 C ATOM 1805 O THR B 414 -4.877 8.999 -3.997 1.00 0.00 O ATOM 1806 CB THR B 414 -4.381 9.872 -0.737 1.00 0.00 C ATOM 1807 OG1 THR B 414 -5.042 11.143 -0.690 1.00 0.00 O ATOM 1808 CG2 THR B 414 -3.426 9.781 0.444 1.00 0.00 C ATOM 0 H THR B 414 -4.303 11.201 -3.331 1.00 0.00 H new ATOM 0 HA THR B 414 -2.627 9.307 -1.858 1.00 0.00 H new ATOM 0 HB THR B 414 -5.123 9.076 -0.675 1.00 0.00 H new ATOM 0 HG1 THR B 414 -5.512 11.236 0.165 1.00 0.00 H new ATOM 0 HG21 THR B 414 -3.981 9.920 1.372 1.00 0.00 H new ATOM 0 HG22 THR B 414 -2.948 8.802 0.450 1.00 0.00 H new ATOM 0 HG23 THR B 414 -2.665 10.556 0.357 1.00 0.00 H new ATOM 1816 N GLY B 415 -4.465 7.434 -2.445 1.00 0.00 N ATOM 1817 CA GLY B 415 -5.164 6.405 -3.192 1.00 0.00 C ATOM 1818 C GLY B 415 -5.856 5.402 -2.294 1.00 0.00 C ATOM 1819 O GLY B 415 -5.228 4.473 -1.800 1.00 0.00 O ATOM 0 H GLY B 415 -4.064 7.127 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY B 415 -5.902 6.873 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY B 415 -4.455 5.883 -3.835 1.00 0.00 H new ATOM 1823 N VAL B 416 -7.154 5.574 -2.092 1.00 0.00 N ATOM 1824 CA VAL B 416 -7.911 4.661 -1.257 1.00 0.00 C ATOM 1825 C VAL B 416 -8.773 3.756 -2.118 1.00 0.00 C ATOM 1826 O VAL B 416 -9.103 4.100 -3.253 1.00 0.00 O ATOM 1827 CB VAL B 416 -8.816 5.408 -0.261 1.00 0.00 C ATOM 1828 CG1 VAL B 416 -9.889 6.191 -1.000 1.00 0.00 C ATOM 1829 CG2 VAL B 416 -9.440 4.430 0.726 1.00 0.00 C ATOM 0 H VAL B 416 -7.701 6.335 -2.494 1.00 0.00 H new ATOM 0 HA VAL B 416 -7.189 4.071 -0.692 1.00 0.00 H new ATOM 0 HB VAL B 416 -8.206 6.116 0.300 1.00 0.00 H new ATOM 0 HG11 VAL B 416 -10.520 6.713 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL B 416 -9.418 6.917 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL B 416 -10.500 5.506 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL B 416 -10.077 4.974 1.424 1.00 0.00 H new ATOM 0 HG22 VAL B 416 -10.038 3.698 0.184 1.00 0.00 H new ATOM 0 HG23 VAL B 416 -8.652 3.918 1.278 1.00 0.00 H new ATOM 1839 N GLY B 417 -9.151 2.609 -1.580 1.00 0.00 N ATOM 1840 CA GLY B 417 -9.990 1.706 -2.344 1.00 0.00 C ATOM 1841 C GLY B 417 -10.080 0.317 -1.749 1.00 0.00 C ATOM 1842 O GLY B 417 -9.074 -0.236 -1.315 1.00 0.00 O ATOM 0 H GLY B 417 -8.899 2.288 -0.645 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -10.993 2.128 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -9.601 1.633 -3.360 1.00 0.00 H new ATOM 1846 N ARG B 418 -11.289 -0.254 -1.749 1.00 0.00 N ATOM 1847 CA ARG B 418 -11.507 -1.605 -1.212 1.00 0.00 C ATOM 1848 C ARG B 418 -10.447 -2.553 -1.747 1.00 0.00 C ATOM 1849 O ARG B 418 -9.560 -2.990 -1.015 1.00 0.00 O ATOM 1850 CB ARG B 418 -12.903 -2.113 -1.582 1.00 0.00 C ATOM 1851 CG ARG B 418 -13.474 -1.472 -2.837 1.00 0.00 C ATOM 1852 CD ARG B 418 -14.444 -2.403 -3.547 1.00 0.00 C ATOM 1853 NE ARG B 418 -15.750 -2.429 -2.896 1.00 0.00 N ATOM 1854 CZ ARG B 418 -16.847 -2.920 -3.462 1.00 0.00 C ATOM 1855 NH1 ARG B 418 -16.794 -3.427 -4.687 1.00 0.00 N ATOM 1856 NH2 ARG B 418 -17.997 -2.904 -2.805 1.00 0.00 N ATOM 0 H ARG B 418 -12.130 0.195 -2.113 1.00 0.00 H new ATOM 0 HA ARG B 418 -11.432 -1.563 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG B 418 -12.861 -3.193 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG B 418 -13.581 -1.926 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG B 418 -13.984 -0.546 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG B 418 -12.661 -1.207 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG B 418 -14.561 -2.084 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG B 418 -14.029 -3.411 -3.569 1.00 0.00 H new ATOM 0 HE ARG B 418 -15.825 -2.048 -1.953 1.00 0.00 H new ATOM 0 HH11 ARG B 418 -15.910 -3.440 -5.196 1.00 0.00 H new ATOM 0 HH12 ARG B 418 -17.637 -3.804 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG B 418 -18.041 -2.514 -1.863 1.00 0.00 H new ATOM 0 HH22 ARG B 418 -18.839 -3.281 -3.241 1.00 0.00 H new ATOM 1870 N ASN B 419 -10.504 -2.805 -3.047 1.00 0.00 N ATOM 1871 CA ASN B 419 -9.516 -3.620 -3.698 1.00 0.00 C ATOM 1872 C ASN B 419 -8.380 -2.686 -4.034 1.00 0.00 C ATOM 1873 O ASN B 419 -8.403 -2.030 -5.067 1.00 0.00 O ATOM 1874 CB ASN B 419 -10.078 -4.277 -4.963 1.00 0.00 C ATOM 1875 CG ASN B 419 -10.869 -3.310 -5.822 1.00 0.00 C ATOM 1876 OD1 ASN B 419 -12.066 -3.110 -5.613 1.00 0.00 O ATOM 1877 ND2 ASN B 419 -10.202 -2.704 -6.799 1.00 0.00 N ATOM 0 H ASN B 419 -11.233 -2.449 -3.666 1.00 0.00 H new ATOM 0 HA ASN B 419 -9.191 -4.438 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN B 419 -9.257 -4.689 -5.549 1.00 0.00 H new ATOM 0 HB3 ASN B 419 -10.718 -5.113 -4.680 1.00 0.00 H new ATOM 0 HD21 ASN B 419 -10.682 -2.044 -7.411 1.00 0.00 H new ATOM 0 HD22 ASN B 419 -9.210 -2.899 -6.937 1.00 0.00 H new ATOM 1884 N ILE B 420 -7.430 -2.599 -3.115 1.00 0.00 N ATOM 1885 CA ILE B 420 -6.277 -1.710 -3.228 1.00 0.00 C ATOM 1886 C ILE B 420 -6.009 -1.202 -4.648 1.00 0.00 C ATOM 1887 O ILE B 420 -5.531 -0.081 -4.817 1.00 0.00 O ATOM 1888 CB ILE B 420 -5.015 -2.384 -2.680 1.00 0.00 C ATOM 1889 CG1 ILE B 420 -4.400 -3.300 -3.737 1.00 0.00 C ATOM 1890 CG2 ILE B 420 -5.352 -3.161 -1.409 1.00 0.00 C ATOM 1891 CD1 ILE B 420 -3.521 -2.566 -4.727 1.00 0.00 C ATOM 0 H ILE B 420 -7.436 -3.150 -2.257 1.00 0.00 H new ATOM 0 HA ILE B 420 -6.532 -0.836 -2.628 1.00 0.00 H new ATOM 0 HB ILE B 420 -4.280 -1.619 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE B 420 -3.811 -4.071 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE B 420 -5.199 -3.807 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE B 420 -4.451 -3.638 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE B 420 -5.749 -2.477 -0.659 1.00 0.00 H new ATOM 0 HG23 ILE B 420 -6.097 -3.923 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE B 420 -3.116 -3.275 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE B 420 -4.111 -1.813 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE B 420 -2.702 -2.081 -4.196 1.00 0.00 H new ATOM 1903 N LYS B 421 -6.323 -1.992 -5.669 1.00 0.00 N ATOM 1904 CA LYS B 421 -6.105 -1.540 -7.036 1.00 0.00 C ATOM 1905 C LYS B 421 -6.590 -0.111 -7.189 1.00 0.00 C ATOM 1906 O LYS B 421 -5.823 0.778 -7.558 1.00 0.00 O ATOM 1907 CB LYS B 421 -6.817 -2.430 -8.044 1.00 0.00 C ATOM 1908 CG LYS B 421 -5.888 -2.933 -9.126 1.00 0.00 C ATOM 1909 CD LYS B 421 -4.743 -3.724 -8.527 1.00 0.00 C ATOM 1910 CE LYS B 421 -4.821 -5.195 -8.897 1.00 0.00 C ATOM 1911 NZ LYS B 421 -3.653 -5.961 -8.382 1.00 0.00 N ATOM 0 H LYS B 421 -6.720 -2.927 -5.580 1.00 0.00 H new ATOM 0 HA LYS B 421 -5.035 -1.593 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS B 421 -7.260 -3.280 -7.525 1.00 0.00 H new ATOM 0 HB3 LYS B 421 -7.636 -1.874 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS B 421 -6.442 -3.559 -9.825 1.00 0.00 H new ATOM 0 HG3 LYS B 421 -5.495 -2.090 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS B 421 -3.795 -3.312 -8.874 1.00 0.00 H new ATOM 0 HD3 LYS B 421 -4.758 -3.621 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS B 421 -5.740 -5.622 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS B 421 -4.870 -5.294 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 421 -3.745 -6.960 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 421 -2.777 -5.571 -8.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 421 -3.620 -5.888 -7.345 1.00 0.00 H new ATOM 1925 N ILE B 422 -7.864 0.118 -6.881 1.00 0.00 N ATOM 1926 CA ILE B 422 -8.414 1.468 -6.967 1.00 0.00 C ATOM 1927 C ILE B 422 -7.418 2.411 -6.335 1.00 0.00 C ATOM 1928 O ILE B 422 -7.179 3.512 -6.815 1.00 0.00 O ATOM 1929 CB ILE B 422 -9.760 1.648 -6.224 1.00 0.00 C ATOM 1930 CG1 ILE B 422 -10.471 0.324 -5.999 1.00 0.00 C ATOM 1931 CG2 ILE B 422 -10.670 2.604 -6.970 1.00 0.00 C ATOM 1932 CD1 ILE B 422 -10.173 -0.276 -4.648 1.00 0.00 C ATOM 0 H ILE B 422 -8.524 -0.598 -6.576 1.00 0.00 H new ATOM 0 HA ILE B 422 -8.598 1.671 -8.022 1.00 0.00 H new ATOM 0 HB ILE B 422 -9.525 2.071 -5.247 1.00 0.00 H new ATOM 0 HG12 ILE B 422 -11.546 0.473 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE B 422 -10.175 -0.379 -6.777 1.00 0.00 H new ATOM 0 HG21 ILE B 422 -11.608 2.712 -6.426 1.00 0.00 H new ATOM 0 HG22 ILE B 422 -10.185 3.577 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE B 422 -10.872 2.211 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE B 422 -10.708 -1.220 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE B 422 -9.101 -0.454 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE B 422 -10.494 0.412 -3.866 1.00 0.00 H new ATOM 1944 N ALA B 423 -6.837 1.932 -5.244 1.00 0.00 N ATOM 1945 CA ALA B 423 -5.849 2.678 -4.497 1.00 0.00 C ATOM 1946 C ALA B 423 -4.607 2.935 -5.346 1.00 0.00 C ATOM 1947 O ALA B 423 -4.014 4.011 -5.274 1.00 0.00 O ATOM 1948 CB ALA B 423 -5.504 1.926 -3.225 1.00 0.00 C ATOM 0 H ALA B 423 -7.042 1.012 -4.855 1.00 0.00 H new ATOM 0 HA ALA B 423 -6.262 3.650 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -4.759 2.487 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -6.402 1.804 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -5.103 0.945 -3.480 1.00 0.00 H new ATOM 1954 N GLY B 424 -4.224 1.954 -6.165 1.00 0.00 N ATOM 1955 CA GLY B 424 -3.064 2.128 -7.021 1.00 0.00 C ATOM 1956 C GLY B 424 -3.331 3.126 -8.133 1.00 0.00 C ATOM 1957 O GLY B 424 -2.734 4.209 -8.174 1.00 0.00 O ATOM 0 H GLY B 424 -4.692 1.052 -6.249 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -2.218 2.467 -6.423 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -2.784 1.168 -7.454 1.00 0.00 H new ATOM 1961 N ILE B 425 -4.247 2.770 -9.032 1.00 0.00 N ATOM 1962 CA ILE B 425 -4.603 3.649 -10.137 1.00 0.00 C ATOM 1963 C ILE B 425 -5.001 5.024 -9.610 1.00 0.00 C ATOM 1964 O ILE B 425 -4.716 6.048 -10.233 1.00 0.00 O ATOM 1965 CB ILE B 425 -5.761 3.067 -10.974 1.00 0.00 C ATOM 1966 CG1 ILE B 425 -5.271 1.877 -11.800 1.00 0.00 C ATOM 1967 CG2 ILE B 425 -6.361 4.132 -11.881 1.00 0.00 C ATOM 1968 CD1 ILE B 425 -5.152 0.596 -11.006 1.00 0.00 C ATOM 0 H ILE B 425 -4.752 1.884 -9.015 1.00 0.00 H new ATOM 0 HA ILE B 425 -3.727 3.740 -10.779 1.00 0.00 H new ATOM 0 HB ILE B 425 -6.539 2.724 -10.292 1.00 0.00 H new ATOM 0 HG12 ILE B 425 -5.957 1.716 -12.632 1.00 0.00 H new ATOM 0 HG13 ILE B 425 -4.299 2.120 -12.230 1.00 0.00 H new ATOM 0 HG21 ILE B 425 -7.176 3.699 -12.461 1.00 0.00 H new ATOM 0 HG22 ILE B 425 -6.744 4.953 -11.275 1.00 0.00 H new ATOM 0 HG23 ILE B 425 -5.594 4.508 -12.557 1.00 0.00 H new ATOM 0 HD11 ILE B 425 -4.799 -0.204 -11.657 1.00 0.00 H new ATOM 0 HD12 ILE B 425 -4.444 0.738 -10.190 1.00 0.00 H new ATOM 0 HD13 ILE B 425 -6.127 0.329 -10.598 1.00 0.00 H new ATOM 1980 N ARG B 426 -5.652 5.036 -8.449 1.00 0.00 N ATOM 1981 CA ARG B 426 -6.076 6.283 -7.825 1.00 0.00 C ATOM 1982 C ARG B 426 -4.863 7.144 -7.506 1.00 0.00 C ATOM 1983 O ARG B 426 -4.791 8.305 -7.909 1.00 0.00 O ATOM 1984 CB ARG B 426 -6.868 6.000 -6.548 1.00 0.00 C ATOM 1985 CG ARG B 426 -7.197 7.241 -5.740 1.00 0.00 C ATOM 1986 CD ARG B 426 -8.300 8.055 -6.398 1.00 0.00 C ATOM 1987 NE ARG B 426 -9.257 8.569 -5.422 1.00 0.00 N ATOM 1988 CZ ARG B 426 -10.284 7.865 -4.957 1.00 0.00 C ATOM 1989 NH1 ARG B 426 -10.490 6.625 -5.380 1.00 0.00 N ATOM 1990 NH2 ARG B 426 -11.111 8.402 -4.070 1.00 0.00 N ATOM 0 H ARG B 426 -5.896 4.197 -7.923 1.00 0.00 H new ATOM 0 HA ARG B 426 -6.720 6.819 -8.522 1.00 0.00 H new ATOM 0 HB2 ARG B 426 -7.797 5.494 -6.813 1.00 0.00 H new ATOM 0 HB3 ARG B 426 -6.298 5.313 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG B 426 -7.506 6.952 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG B 426 -6.303 7.856 -5.634 1.00 0.00 H new ATOM 0 HD2 ARG B 426 -7.859 8.887 -6.946 1.00 0.00 H new ATOM 0 HD3 ARG B 426 -8.823 7.435 -7.127 1.00 0.00 H new ATOM 0 HE ARG B 426 -9.130 9.521 -5.078 1.00 0.00 H new ATOM 0 HH11 ARG B 426 -9.859 6.208 -6.065 1.00 0.00 H new ATOM 0 HH12 ARG B 426 -11.279 6.088 -5.021 1.00 0.00 H new ATOM 0 HH21 ARG B 426 -10.959 9.356 -3.744 1.00 0.00 H new ATOM 0 HH22 ARG B 426 -11.899 7.861 -3.714 1.00 0.00 H new ATOM 2004 N ALA B 427 -3.903 6.562 -6.791 1.00 0.00 N ATOM 2005 CA ALA B 427 -2.688 7.276 -6.438 1.00 0.00 C ATOM 2006 C ALA B 427 -2.149 8.016 -7.655 1.00 0.00 C ATOM 2007 O ALA B 427 -1.793 9.192 -7.573 1.00 0.00 O ATOM 2008 CB ALA B 427 -1.640 6.327 -5.878 1.00 0.00 C ATOM 0 H ALA B 427 -3.946 5.602 -6.448 1.00 0.00 H new ATOM 0 HA ALA B 427 -2.926 8.002 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA B 427 -0.741 6.888 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA B 427 -2.031 5.840 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA B 427 -1.396 5.572 -6.625 1.00 0.00 H new ATOM 2014 N ALA B 428 -2.108 7.325 -8.793 1.00 0.00 N ATOM 2015 CA ALA B 428 -1.628 7.931 -10.033 1.00 0.00 C ATOM 2016 C ALA B 428 -2.437 9.185 -10.355 1.00 0.00 C ATOM 2017 O ALA B 428 -1.945 10.314 -10.230 1.00 0.00 O ATOM 2018 CB ALA B 428 -1.704 6.943 -11.187 1.00 0.00 C ATOM 0 H ALA B 428 -2.399 6.352 -8.882 1.00 0.00 H new ATOM 0 HA ALA B 428 -0.584 8.210 -9.894 1.00 0.00 H new ATOM 0 HB1 ALA B 428 -1.341 7.419 -12.098 1.00 0.00 H new ATOM 0 HB2 ALA B 428 -1.088 6.073 -10.962 1.00 0.00 H new ATOM 0 HB3 ALA B 428 -2.738 6.628 -11.329 1.00 0.00 H new ATOM 2024 N GLU B 429 -3.685 8.983 -10.774 1.00 0.00 N ATOM 2025 CA GLU B 429 -4.557 10.099 -11.102 1.00 0.00 C ATOM 2026 C GLU B 429 -4.466 11.166 -10.022 1.00 0.00 C ATOM 2027 O GLU B 429 -4.705 12.345 -10.275 1.00 0.00 O ATOM 2028 CB GLU B 429 -6.004 9.627 -11.248 1.00 0.00 C ATOM 2029 CG GLU B 429 -6.332 9.091 -12.631 1.00 0.00 C ATOM 2030 CD GLU B 429 -7.821 9.073 -12.914 1.00 0.00 C ATOM 2031 OE1 GLU B 429 -8.546 9.912 -12.336 1.00 0.00 O ATOM 2032 OE2 GLU B 429 -8.265 8.222 -13.713 1.00 0.00 O ATOM 0 H GLU B 429 -4.109 8.063 -10.892 1.00 0.00 H new ATOM 0 HA GLU B 429 -4.233 10.523 -12.052 1.00 0.00 H new ATOM 0 HB2 GLU B 429 -6.200 8.849 -10.510 1.00 0.00 H new ATOM 0 HB3 GLU B 429 -6.673 10.457 -11.021 1.00 0.00 H new ATOM 0 HG2 GLU B 429 -5.831 9.703 -13.381 1.00 0.00 H new ATOM 0 HG3 GLU B 429 -5.936 8.080 -12.728 1.00 0.00 H new ATOM 2039 N ASN B 430 -4.110 10.744 -8.814 1.00 0.00 N ATOM 2040 CA ASN B 430 -3.975 11.665 -7.696 1.00 0.00 C ATOM 2041 C ASN B 430 -2.729 12.522 -7.868 1.00 0.00 C ATOM 2042 O ASN B 430 -2.712 13.692 -7.486 1.00 0.00 O ATOM 2043 CB ASN B 430 -3.912 10.899 -6.375 1.00 0.00 C ATOM 2044 CG ASN B 430 -5.239 10.908 -5.645 1.00 0.00 C ATOM 2045 OD1 ASN B 430 -5.406 11.608 -4.646 1.00 0.00 O ATOM 2046 ND2 ASN B 430 -6.194 10.128 -6.140 1.00 0.00 N ATOM 0 H ASN B 430 -3.910 9.770 -8.586 1.00 0.00 H new ATOM 0 HA ASN B 430 -4.849 12.316 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -3.612 9.869 -6.568 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -3.145 11.340 -5.738 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -7.109 10.093 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -6.013 9.564 -6.970 1.00 0.00 H new ATOM 2053 N ALA B 431 -1.686 11.934 -8.451 1.00 0.00 N ATOM 2054 CA ALA B 431 -0.442 12.650 -8.679 1.00 0.00 C ATOM 2055 C ALA B 431 -0.651 13.770 -9.680 1.00 0.00 C ATOM 2056 O ALA B 431 -0.170 14.885 -9.484 1.00 0.00 O ATOM 2057 CB ALA B 431 0.657 11.722 -9.169 1.00 0.00 C ATOM 0 H ALA B 431 -1.682 10.966 -8.772 1.00 0.00 H new ATOM 0 HA ALA B 431 -0.129 13.072 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA B 431 1.571 12.293 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA B 431 0.838 10.947 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA B 431 0.351 11.259 -10.107 1.00 0.00 H new ATOM 2063 N LEU B 432 -1.375 13.474 -10.755 1.00 0.00 N ATOM 2064 CA LEU B 432 -1.638 14.480 -11.777 1.00 0.00 C ATOM 2065 C LEU B 432 -3.044 15.045 -11.625 1.00 0.00 C ATOM 2066 O LEU B 432 -3.639 15.533 -12.586 1.00 0.00 O ATOM 2067 CB LEU B 432 -1.430 13.906 -13.187 1.00 0.00 C ATOM 2068 CG LEU B 432 -2.188 12.614 -13.508 1.00 0.00 C ATOM 2069 CD1 LEU B 432 -1.508 11.416 -12.861 1.00 0.00 C ATOM 2070 CD2 LEU B 432 -3.636 12.717 -13.062 1.00 0.00 C ATOM 0 H LEU B 432 -1.785 12.558 -10.940 1.00 0.00 H new ATOM 0 HA LEU B 432 -0.925 15.293 -11.640 1.00 0.00 H new ATOM 0 HB2 LEU B 432 -1.723 14.665 -13.913 1.00 0.00 H new ATOM 0 HB3 LEU B 432 -0.365 13.723 -13.329 1.00 0.00 H new ATOM 0 HG LEU B 432 -2.174 12.470 -14.588 1.00 0.00 H new ATOM 0 HD11 LEU B 432 -2.063 10.509 -13.102 1.00 0.00 H new ATOM 0 HD12 LEU B 432 -0.489 11.329 -13.238 1.00 0.00 H new ATOM 0 HD13 LEU B 432 -1.485 11.551 -11.780 1.00 0.00 H new ATOM 0 HD21 LEU B 432 -4.157 11.789 -13.299 1.00 0.00 H new ATOM 0 HD22 LEU B 432 -3.674 12.890 -11.986 1.00 0.00 H new ATOM 0 HD23 LEU B 432 -4.118 13.546 -13.580 1.00 0.00 H new ATOM 2082 N ARG B 433 -3.560 14.988 -10.402 1.00 0.00 N ATOM 2083 CA ARG B 433 -4.886 15.508 -10.103 1.00 0.00 C ATOM 2084 C ARG B 433 -4.783 16.942 -9.591 1.00 0.00 C ATOM 2085 O ARG B 433 -5.788 17.637 -9.450 1.00 0.00 O ATOM 2086 CB ARG B 433 -5.576 14.622 -9.065 1.00 0.00 C ATOM 2087 CG ARG B 433 -6.664 15.330 -8.275 1.00 0.00 C ATOM 2088 CD ARG B 433 -7.694 14.339 -7.762 1.00 0.00 C ATOM 2089 NE ARG B 433 -8.732 14.980 -6.961 1.00 0.00 N ATOM 2090 CZ ARG B 433 -9.670 14.305 -6.303 1.00 0.00 C ATOM 2091 NH1 ARG B 433 -9.683 12.980 -6.337 1.00 0.00 N ATOM 2092 NH2 ARG B 433 -10.594 14.955 -5.609 1.00 0.00 N ATOM 0 H ARG B 433 -3.076 14.585 -9.600 1.00 0.00 H new ATOM 0 HA ARG B 433 -5.481 15.505 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG B 433 -6.011 13.759 -9.570 1.00 0.00 H new ATOM 0 HB3 ARG B 433 -4.826 14.241 -8.371 1.00 0.00 H new ATOM 0 HG2 ARG B 433 -6.220 15.866 -7.436 1.00 0.00 H new ATOM 0 HG3 ARG B 433 -7.151 16.073 -8.906 1.00 0.00 H new ATOM 0 HD2 ARG B 433 -8.155 13.828 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG B 433 -7.195 13.578 -7.163 1.00 0.00 H new ATOM 0 HE ARG B 433 -8.738 15.998 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG B 433 -8.973 12.476 -6.868 1.00 0.00 H new ATOM 0 HH12 ARG B 433 -10.403 12.464 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG B 433 -10.586 15.975 -5.579 1.00 0.00 H new ATOM 0 HH22 ARG B 433 -11.313 14.436 -5.105 1.00 0.00 H new ATOM 2106 N ASP B 434 -3.554 17.374 -9.318 1.00 0.00 N ATOM 2107 CA ASP B 434 -3.307 18.722 -8.821 1.00 0.00 C ATOM 2108 C ASP B 434 -2.628 19.576 -9.887 1.00 0.00 C ATOM 2109 O ASP B 434 -1.405 19.553 -10.029 1.00 0.00 O ATOM 2110 CB ASP B 434 -2.438 18.672 -7.563 1.00 0.00 C ATOM 2111 CG ASP B 434 -2.837 17.549 -6.626 1.00 0.00 C ATOM 2112 OD1 ASP B 434 -4.036 17.198 -6.596 1.00 0.00 O ATOM 2113 OD2 ASP B 434 -1.952 17.018 -5.924 1.00 0.00 O ATOM 0 H ASP B 434 -2.713 16.808 -9.433 1.00 0.00 H new ATOM 0 HA ASP B 434 -4.267 19.174 -8.574 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -1.394 18.547 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -2.511 19.624 -7.036 1.00 0.00 H new ATOM 2118 N LYS B 435 -3.428 20.331 -10.633 1.00 0.00 N ATOM 2119 CA LYS B 435 -2.899 21.194 -11.682 1.00 0.00 C ATOM 2120 C LYS B 435 -1.864 22.157 -11.110 1.00 0.00 C ATOM 2121 O LYS B 435 -0.912 22.539 -11.791 1.00 0.00 O ATOM 2122 CB LYS B 435 -4.037 21.970 -12.356 1.00 0.00 C ATOM 2123 CG LYS B 435 -4.341 23.309 -11.704 1.00 0.00 C ATOM 2124 CD LYS B 435 -5.837 23.536 -11.562 1.00 0.00 C ATOM 2125 CE LYS B 435 -6.475 23.912 -12.891 1.00 0.00 C ATOM 2126 NZ LYS B 435 -7.947 24.103 -12.767 1.00 0.00 N ATOM 0 H LYS B 435 -4.442 20.363 -10.531 1.00 0.00 H new ATOM 0 HA LYS B 435 -2.411 20.570 -12.431 1.00 0.00 H new ATOM 0 HB2 LYS B 435 -3.780 22.137 -13.402 1.00 0.00 H new ATOM 0 HB3 LYS B 435 -4.939 21.358 -12.343 1.00 0.00 H new ATOM 0 HG2 LYS B 435 -3.871 23.351 -10.721 1.00 0.00 H new ATOM 0 HG3 LYS B 435 -3.906 24.111 -12.300 1.00 0.00 H new ATOM 0 HD2 LYS B 435 -6.308 22.632 -11.175 1.00 0.00 H new ATOM 0 HD3 LYS B 435 -6.018 24.327 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS B 435 -6.020 24.829 -13.265 1.00 0.00 H new ATOM 0 HE3 LYS B 435 -6.271 23.133 -13.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 435 -8.343 24.358 -13.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 435 -8.385 23.220 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 435 -8.142 24.864 -12.086 1.00 0.00 H new ATOM 2140 N LYS B 436 -2.055 22.541 -9.853 1.00 0.00 N ATOM 2141 CA LYS B 436 -1.136 23.453 -9.185 1.00 0.00 C ATOM 2142 C LYS B 436 0.227 22.798 -9.001 1.00 0.00 C ATOM 2143 O LYS B 436 1.249 23.334 -9.431 1.00 0.00 O ATOM 2144 CB LYS B 436 -1.704 23.879 -7.829 1.00 0.00 C ATOM 2145 CG LYS B 436 -3.000 24.664 -7.932 1.00 0.00 C ATOM 2146 CD LYS B 436 -3.707 24.751 -6.588 1.00 0.00 C ATOM 2147 CE LYS B 436 -3.759 26.181 -6.079 1.00 0.00 C ATOM 2148 NZ LYS B 436 -5.148 26.599 -5.744 1.00 0.00 N ATOM 0 H LYS B 436 -2.838 22.234 -9.276 1.00 0.00 H new ATOM 0 HA LYS B 436 -1.014 24.338 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS B 436 -1.874 22.991 -7.221 1.00 0.00 H new ATOM 0 HB3 LYS B 436 -0.963 24.485 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS B 436 -2.790 25.668 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS B 436 -3.657 24.189 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS B 436 -4.720 24.360 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS B 436 -3.190 24.124 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS B 436 -3.128 26.275 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS B 436 -3.350 26.851 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 436 -5.142 27.581 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 436 -5.745 26.533 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 436 -5.529 25.976 -5.004 1.00 0.00 H new ATOM 2162 N MET B 437 0.234 21.628 -8.369 1.00 0.00 N ATOM 2163 CA MET B 437 1.471 20.894 -8.141 1.00 0.00 C ATOM 2164 C MET B 437 2.090 20.477 -9.468 1.00 0.00 C ATOM 2165 O MET B 437 3.287 20.654 -9.695 1.00 0.00 O ATOM 2166 CB MET B 437 1.206 19.657 -7.285 1.00 0.00 C ATOM 2167 CG MET B 437 2.437 18.791 -7.086 1.00 0.00 C ATOM 2168 SD MET B 437 2.721 17.656 -8.460 1.00 0.00 S ATOM 2169 CE MET B 437 1.465 16.418 -8.151 1.00 0.00 C ATOM 0 H MET B 437 -0.602 21.170 -8.007 1.00 0.00 H new ATOM 0 HA MET B 437 2.166 21.548 -7.614 1.00 0.00 H new ATOM 0 HB2 MET B 437 0.830 19.971 -6.311 1.00 0.00 H new ATOM 0 HB3 MET B 437 0.422 19.061 -7.753 1.00 0.00 H new ATOM 0 HG2 MET B 437 3.310 19.431 -6.963 1.00 0.00 H new ATOM 0 HG3 MET B 437 2.329 18.219 -6.164 1.00 0.00 H new ATOM 0 HE1 MET B 437 1.842 15.437 -8.439 1.00 0.00 H new ATOM 0 HE2 MET B 437 1.213 16.412 -7.091 1.00 0.00 H new ATOM 0 HE3 MET B 437 0.574 16.650 -8.735 1.00 0.00 H new ATOM 2179 N LEU B 438 1.256 19.927 -10.341 1.00 0.00 N ATOM 2180 CA LEU B 438 1.698 19.480 -11.654 1.00 0.00 C ATOM 2181 C LEU B 438 2.381 20.609 -12.412 1.00 0.00 C ATOM 2182 O LEU B 438 3.545 20.504 -12.796 1.00 0.00 O ATOM 2183 CB LEU B 438 0.503 18.980 -12.458 1.00 0.00 C ATOM 2184 CG LEU B 438 -0.071 17.641 -11.999 1.00 0.00 C ATOM 2185 CD1 LEU B 438 -1.315 17.294 -12.802 1.00 0.00 C ATOM 2186 CD2 LEU B 438 0.973 16.543 -12.128 1.00 0.00 C ATOM 0 H LEU B 438 0.263 19.779 -10.161 1.00 0.00 H new ATOM 0 HA LEU B 438 2.415 18.671 -11.515 1.00 0.00 H new ATOM 0 HB2 LEU B 438 -0.286 19.731 -12.412 1.00 0.00 H new ATOM 0 HB3 LEU B 438 0.799 18.892 -13.503 1.00 0.00 H new ATOM 0 HG LEU B 438 -0.352 17.726 -10.949 1.00 0.00 H new ATOM 0 HD11 LEU B 438 -1.712 16.337 -12.463 1.00 0.00 H new ATOM 0 HD12 LEU B 438 -2.068 18.070 -12.660 1.00 0.00 H new ATOM 0 HD13 LEU B 438 -1.058 17.226 -13.859 1.00 0.00 H new ATOM 0 HD21 LEU B 438 0.548 15.596 -11.797 1.00 0.00 H new ATOM 0 HD22 LEU B 438 1.284 16.457 -13.169 1.00 0.00 H new ATOM 0 HD23 LEU B 438 1.837 16.788 -11.511 1.00 0.00 H new ATOM 2198 N ASP B 439 1.642 21.690 -12.620 1.00 0.00 N ATOM 2199 CA ASP B 439 2.165 22.850 -13.327 1.00 0.00 C ATOM 2200 C ASP B 439 3.306 23.487 -12.545 1.00 0.00 C ATOM 2201 O ASP B 439 4.169 24.152 -13.120 1.00 0.00 O ATOM 2202 CB ASP B 439 1.054 23.875 -13.561 1.00 0.00 C ATOM 2203 CG ASP B 439 1.368 24.815 -14.708 1.00 0.00 C ATOM 2204 OD1 ASP B 439 2.123 25.786 -14.490 1.00 0.00 O ATOM 2205 OD2 ASP B 439 0.859 24.580 -15.824 1.00 0.00 O ATOM 0 H ASP B 439 0.676 21.787 -12.308 1.00 0.00 H new ATOM 0 HA ASP B 439 2.548 22.518 -14.292 1.00 0.00 H new ATOM 0 HB2 ASP B 439 0.120 23.353 -13.768 1.00 0.00 H new ATOM 0 HB3 ASP B 439 0.901 24.455 -12.651 1.00 0.00 H new ATOM 2210 N PHE B 440 3.311 23.273 -11.233 1.00 0.00 N ATOM 2211 CA PHE B 440 4.355 23.821 -10.377 1.00 0.00 C ATOM 2212 C PHE B 440 5.708 23.245 -10.780 1.00 0.00 C ATOM 2213 O PHE B 440 6.687 23.975 -10.948 1.00 0.00 O ATOM 2214 CB PHE B 440 4.037 23.518 -8.906 1.00 0.00 C ATOM 2215 CG PHE B 440 5.233 23.181 -8.056 1.00 0.00 C ATOM 2216 CD1 PHE B 440 6.385 23.949 -8.113 1.00 0.00 C ATOM 2217 CD2 PHE B 440 5.196 22.097 -7.194 1.00 0.00 C ATOM 2218 CE1 PHE B 440 7.479 23.639 -7.325 1.00 0.00 C ATOM 2219 CE2 PHE B 440 6.285 21.784 -6.405 1.00 0.00 C ATOM 2220 CZ PHE B 440 7.428 22.555 -6.469 1.00 0.00 C ATOM 0 H PHE B 440 2.605 22.725 -10.741 1.00 0.00 H new ATOM 0 HA PHE B 440 4.396 24.903 -10.498 1.00 0.00 H new ATOM 0 HB2 PHE B 440 3.533 24.382 -8.473 1.00 0.00 H new ATOM 0 HB3 PHE B 440 3.334 22.686 -8.865 1.00 0.00 H new ATOM 0 HD1 PHE B 440 6.429 24.798 -8.779 1.00 0.00 H new ATOM 0 HD2 PHE B 440 4.305 21.490 -7.139 1.00 0.00 H new ATOM 0 HE1 PHE B 440 8.372 24.244 -7.379 1.00 0.00 H new ATOM 0 HE2 PHE B 440 6.242 20.936 -5.738 1.00 0.00 H new ATOM 0 HZ PHE B 440 8.280 22.312 -5.852 1.00 0.00 H new ATOM 2230 N TYR B 441 5.749 21.930 -10.952 1.00 0.00 N ATOM 2231 CA TYR B 441 6.971 21.254 -11.355 1.00 0.00 C ATOM 2232 C TYR B 441 7.216 21.457 -12.841 1.00 0.00 C ATOM 2233 O TYR B 441 8.342 21.714 -13.262 1.00 0.00 O ATOM 2234 CB TYR B 441 6.891 19.765 -11.019 1.00 0.00 C ATOM 2235 CG TYR B 441 6.967 19.498 -9.536 1.00 0.00 C ATOM 2236 CD1 TYR B 441 8.155 19.674 -8.843 1.00 0.00 C ATOM 2237 CD2 TYR B 441 5.846 19.090 -8.826 1.00 0.00 C ATOM 2238 CE1 TYR B 441 8.230 19.449 -7.486 1.00 0.00 C ATOM 2239 CE2 TYR B 441 5.910 18.861 -7.465 1.00 0.00 C ATOM 2240 CZ TYR B 441 7.105 19.042 -6.798 1.00 0.00 C ATOM 2241 OH TYR B 441 7.174 18.817 -5.443 1.00 0.00 O ATOM 0 H TYR B 441 4.949 21.312 -10.818 1.00 0.00 H new ATOM 0 HA TYR B 441 7.808 21.684 -10.805 1.00 0.00 H new ATOM 0 HB2 TYR B 441 5.958 19.358 -11.410 1.00 0.00 H new ATOM 0 HB3 TYR B 441 7.703 19.239 -11.521 1.00 0.00 H new ATOM 0 HD1 TYR B 441 9.038 19.993 -9.377 1.00 0.00 H new ATOM 0 HD2 TYR B 441 4.910 18.949 -9.345 1.00 0.00 H new ATOM 0 HE1 TYR B 441 9.164 19.590 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR B 441 5.030 18.542 -6.926 1.00 0.00 H new ATOM 0 HH TYR B 441 6.268 18.773 -5.072 1.00 0.00 H new ATOM 2251 N ALA B 442 6.152 21.368 -13.634 1.00 0.00 N ATOM 2252 CA ALA B 442 6.271 21.573 -15.068 1.00 0.00 C ATOM 2253 C ALA B 442 7.151 22.786 -15.327 1.00 0.00 C ATOM 2254 O ALA B 442 8.058 22.750 -16.162 1.00 0.00 O ATOM 2255 CB ALA B 442 4.906 21.757 -15.715 1.00 0.00 C ATOM 0 H ALA B 442 5.208 21.157 -13.309 1.00 0.00 H new ATOM 0 HA ALA B 442 6.726 20.688 -15.513 1.00 0.00 H new ATOM 0 HB1 ALA B 442 5.029 21.908 -16.787 1.00 0.00 H new ATOM 0 HB2 ALA B 442 4.298 20.869 -15.541 1.00 0.00 H new ATOM 0 HB3 ALA B 442 4.412 22.626 -15.281 1.00 0.00 H new ATOM 2261 N LYS B 443 6.891 23.853 -14.576 1.00 0.00 N ATOM 2262 CA LYS B 443 7.670 25.076 -14.689 1.00 0.00 C ATOM 2263 C LYS B 443 9.067 24.835 -14.136 1.00 0.00 C ATOM 2264 O LYS B 443 10.067 25.201 -14.755 1.00 0.00 O ATOM 2265 CB LYS B 443 6.983 26.220 -13.933 1.00 0.00 C ATOM 2266 CG LYS B 443 7.942 27.298 -13.446 1.00 0.00 C ATOM 2267 CD LYS B 443 7.336 28.687 -13.577 1.00 0.00 C ATOM 2268 CE LYS B 443 8.320 29.669 -14.195 1.00 0.00 C ATOM 2269 NZ LYS B 443 7.794 31.062 -14.192 1.00 0.00 N ATOM 0 H LYS B 443 6.144 23.892 -13.882 1.00 0.00 H new ATOM 0 HA LYS B 443 7.744 25.361 -15.739 1.00 0.00 H new ATOM 0 HB2 LYS B 443 6.238 26.677 -14.584 1.00 0.00 H new ATOM 0 HB3 LYS B 443 6.449 25.808 -13.077 1.00 0.00 H new ATOM 0 HG2 LYS B 443 8.202 27.111 -12.404 1.00 0.00 H new ATOM 0 HG3 LYS B 443 8.868 27.249 -14.020 1.00 0.00 H new ATOM 0 HD2 LYS B 443 6.437 28.636 -14.191 1.00 0.00 H new ATOM 0 HD3 LYS B 443 7.031 29.046 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS B 443 9.260 29.635 -13.644 1.00 0.00 H new ATOM 0 HE3 LYS B 443 8.539 29.366 -15.219 1.00 0.00 H new ATOM 0 HZ1 LYS B 443 8.495 31.699 -14.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 443 6.910 31.101 -14.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 443 7.609 31.361 -13.213 1.00 0.00 H new ATOM 2283 N GLN B 444 9.128 24.192 -12.971 1.00 0.00 N ATOM 2284 CA GLN B 444 10.404 23.876 -12.344 1.00 0.00 C ATOM 2285 C GLN B 444 11.301 23.150 -13.343 1.00 0.00 C ATOM 2286 O GLN B 444 12.526 23.171 -13.230 1.00 0.00 O ATOM 2287 CB GLN B 444 10.185 23.010 -11.090 1.00 0.00 C ATOM 2288 CG GLN B 444 10.290 21.513 -11.341 1.00 0.00 C ATOM 2289 CD GLN B 444 11.592 20.942 -10.829 1.00 0.00 C ATOM 2290 OE1 GLN B 444 11.669 19.775 -10.446 1.00 0.00 O ATOM 2291 NE2 GLN B 444 12.626 21.770 -10.821 1.00 0.00 N ATOM 0 H GLN B 444 8.310 23.882 -12.446 1.00 0.00 H new ATOM 0 HA GLN B 444 10.890 24.803 -12.039 1.00 0.00 H new ATOM 0 HB2 GLN B 444 10.918 23.293 -10.334 1.00 0.00 H new ATOM 0 HB3 GLN B 444 9.200 23.230 -10.677 1.00 0.00 H new ATOM 0 HG2 GLN B 444 9.456 21.005 -10.856 1.00 0.00 H new ATOM 0 HG3 GLN B 444 10.204 21.318 -12.410 1.00 0.00 H new ATOM 0 HE21 GLN B 444 12.514 22.729 -11.149 1.00 0.00 H new ATOM 0 HE22 GLN B 444 13.535 21.448 -10.487 1.00 0.00 H new ATOM 2300 N ARG B 445 10.668 22.506 -14.320 1.00 0.00 N ATOM 2301 CA ARG B 445 11.383 21.764 -15.348 1.00 0.00 C ATOM 2302 C ARG B 445 11.938 22.702 -16.414 1.00 0.00 C ATOM 2303 O ARG B 445 13.152 22.839 -16.566 1.00 0.00 O ATOM 2304 CB ARG B 445 10.456 20.734 -15.997 1.00 0.00 C ATOM 2305 CG ARG B 445 10.669 19.317 -15.488 1.00 0.00 C ATOM 2306 CD ARG B 445 12.017 18.767 -15.926 1.00 0.00 C ATOM 2307 NE ARG B 445 11.885 17.777 -16.992 1.00 0.00 N ATOM 2308 CZ ARG B 445 12.854 17.494 -17.856 1.00 0.00 C ATOM 2309 NH1 ARG B 445 14.019 18.124 -17.777 1.00 0.00 N ATOM 2310 NH2 ARG B 445 12.659 16.583 -18.799 1.00 0.00 N ATOM 0 H ARG B 445 9.653 22.485 -14.419 1.00 0.00 H new ATOM 0 HA ARG B 445 12.218 21.249 -14.873 1.00 0.00 H new ATOM 0 HB2 ARG B 445 9.421 21.024 -15.816 1.00 0.00 H new ATOM 0 HB3 ARG B 445 10.608 20.750 -17.076 1.00 0.00 H new ATOM 0 HG2 ARG B 445 10.606 19.306 -14.400 1.00 0.00 H new ATOM 0 HG3 ARG B 445 9.873 18.672 -15.860 1.00 0.00 H new ATOM 0 HD2 ARG B 445 12.649 19.587 -16.269 1.00 0.00 H new ATOM 0 HD3 ARG B 445 12.519 18.314 -15.071 1.00 0.00 H new ATOM 0 HE ARG B 445 11.001 17.276 -17.078 1.00 0.00 H new ATOM 0 HH11 ARG B 445 14.171 18.826 -17.053 1.00 0.00 H new ATOM 0 HH12 ARG B 445 14.763 17.906 -18.440 1.00 0.00 H new ATOM 0 HH21 ARG B 445 11.764 16.098 -18.862 1.00 0.00 H new ATOM 0 HH22 ARG B 445 13.404 16.367 -19.461 1.00 0.00 H new