USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=14 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 387 TYR OH : rot -81:sc= 0.785 USER MOD Set 1.2: B 404 CYS SG : rot 86:sc= -7.36! USER MOD Set 2.1: B 380 TYR OH : rot -164:sc= 0.143 USER MOD Set 2.2: B 444 GLN : amide:sc= -2.24 K(o=-2.1,f=-5.4!) USER MOD Set 3.1: B 368 MET CE :methyl -170:sc= -6.86! (180deg=-2.12) USER MOD Set 3.2: B 369 ASN : amide:sc= -7.06! C(o=-14!,f=-16!) USER MOD Single : B 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 373 GLN : amide:sc= -13.2! C(o=-13!,f=-18!) USER MOD Single : B 375 TYR OH : rot 180:sc= 0 USER MOD Single : B 376 SER OG : rot 180:sc= 0 USER MOD Single : B 382 SER OG : rot -57:sc= 0.438 USER MOD Single : B 386 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -160:sc= -0.247 USER MOD Single : B 399 ASN : amide:sc= -2.73! K(o=-2.7!,f=-1.4) USER MOD Single : B 400 SER OG : rot -60:sc= -1.18 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= -9.16! C(o=-9.2!,f=-9.4!) USER MOD Single : B 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -5.44! C(o=-5.4!,f=-14!) 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 -146:sc= -3.52! (180deg=-7.61!) USER MOD Single : B 441 TYR OH : rot -93:sc= -2.52! USER MOD Single : B 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1069 N ASP B 367 -4.775 3.641 -15.780 1.00 0.00 N ATOM 1070 CA ASP B 367 -3.452 3.550 -15.174 1.00 0.00 C ATOM 1071 C ASP B 367 -2.443 4.290 -16.050 1.00 0.00 C ATOM 1072 O ASP B 367 -1.939 5.355 -15.677 1.00 0.00 O ATOM 1073 CB ASP B 367 -3.034 2.087 -15.002 1.00 0.00 C ATOM 1074 CG ASP B 367 -4.179 1.209 -14.539 1.00 0.00 C ATOM 1075 OD1 ASP B 367 -5.250 1.756 -14.205 1.00 0.00 O ATOM 1076 OD2 ASP B 367 -4.002 -0.027 -14.509 1.00 0.00 O ATOM 0 HA ASP B 367 -3.481 4.010 -14.186 1.00 0.00 H new ATOM 0 HB2 ASP B 367 -2.649 1.708 -15.949 1.00 0.00 H new ATOM 0 HB3 ASP B 367 -2.219 2.027 -14.280 1.00 0.00 H new ATOM 1081 N MET B 368 -2.152 3.702 -17.210 1.00 0.00 N ATOM 1082 CA MET B 368 -1.207 4.281 -18.162 1.00 0.00 C ATOM 1083 C MET B 368 -1.201 5.804 -18.067 1.00 0.00 C ATOM 1084 O MET B 368 -0.199 6.404 -17.681 1.00 0.00 O ATOM 1085 CB MET B 368 -1.556 3.851 -19.589 1.00 0.00 C ATOM 1086 CG MET B 368 -3.042 3.620 -19.810 1.00 0.00 C ATOM 1087 SD MET B 368 -3.614 4.255 -21.398 1.00 0.00 S ATOM 1088 CE MET B 368 -3.730 6.007 -21.042 1.00 0.00 C ATOM 0 H MET B 368 -2.561 2.818 -17.514 1.00 0.00 H new ATOM 0 HA MET B 368 -0.211 3.914 -17.912 1.00 0.00 H new ATOM 0 HB2 MET B 368 -1.208 4.615 -20.285 1.00 0.00 H new ATOM 0 HB3 MET B 368 -1.015 2.935 -19.826 1.00 0.00 H new ATOM 0 HG2 MET B 368 -3.252 2.552 -19.753 1.00 0.00 H new ATOM 0 HG3 MET B 368 -3.604 4.099 -19.008 1.00 0.00 H new ATOM 0 HE1 MET B 368 -4.237 6.512 -21.864 1.00 0.00 H new ATOM 0 HE2 MET B 368 -4.295 6.155 -20.121 1.00 0.00 H new ATOM 0 HE3 MET B 368 -2.729 6.421 -20.924 1.00 0.00 H new ATOM 1098 N ASN B 369 -2.325 6.424 -18.412 1.00 0.00 N ATOM 1099 CA ASN B 369 -2.437 7.876 -18.353 1.00 0.00 C ATOM 1100 C ASN B 369 -1.794 8.409 -17.079 1.00 0.00 C ATOM 1101 O ASN B 369 -0.988 9.339 -17.121 1.00 0.00 O ATOM 1102 CB ASN B 369 -3.906 8.302 -18.411 1.00 0.00 C ATOM 1103 CG ASN B 369 -4.401 8.491 -19.832 1.00 0.00 C ATOM 1104 OD1 ASN B 369 -5.483 8.026 -20.189 1.00 0.00 O ATOM 1105 ND2 ASN B 369 -3.613 9.180 -20.649 1.00 0.00 N ATOM 0 H ASN B 369 -3.167 5.946 -18.734 1.00 0.00 H new ATOM 0 HA ASN B 369 -1.914 8.294 -19.213 1.00 0.00 H new ATOM 0 HB2 ASN B 369 -4.519 7.550 -17.913 1.00 0.00 H new ATOM 0 HB3 ASN B 369 -4.033 9.233 -17.859 1.00 0.00 H new ATOM 0 HD21 ASN B 369 -3.897 9.342 -21.615 1.00 0.00 H new ATOM 0 HD22 ASN B 369 -2.724 9.547 -20.310 1.00 0.00 H new ATOM 1112 N ALA B 370 -2.150 7.808 -15.946 1.00 0.00 N ATOM 1113 CA ALA B 370 -1.603 8.219 -14.660 1.00 0.00 C ATOM 1114 C ALA B 370 -0.085 8.089 -14.662 1.00 0.00 C ATOM 1115 O ALA B 370 0.627 9.080 -14.823 1.00 0.00 O ATOM 1116 CB ALA B 370 -2.202 7.405 -13.523 1.00 0.00 C ATOM 0 H ALA B 370 -2.814 7.036 -15.895 1.00 0.00 H new ATOM 0 HA ALA B 370 -1.866 9.265 -14.502 1.00 0.00 H new ATOM 0 HB1 ALA B 370 -1.775 7.734 -12.576 1.00 0.00 H new ATOM 0 HB2 ALA B 370 -3.282 7.548 -13.503 1.00 0.00 H new ATOM 0 HB3 ALA B 370 -1.978 6.349 -13.674 1.00 0.00 H new ATOM 1122 N LYS B 371 0.407 6.865 -14.479 1.00 0.00 N ATOM 1123 CA LYS B 371 1.848 6.621 -14.462 1.00 0.00 C ATOM 1124 C LYS B 371 2.546 7.527 -15.468 1.00 0.00 C ATOM 1125 O LYS B 371 3.612 8.083 -15.192 1.00 0.00 O ATOM 1126 CB LYS B 371 2.151 5.155 -14.780 1.00 0.00 C ATOM 1127 CG LYS B 371 1.019 4.434 -15.490 1.00 0.00 C ATOM 1128 CD LYS B 371 1.538 3.261 -16.309 1.00 0.00 C ATOM 1129 CE LYS B 371 0.724 2.002 -16.056 1.00 0.00 C ATOM 1130 NZ LYS B 371 1.183 1.285 -14.834 1.00 0.00 N ATOM 0 H LYS B 371 -0.166 6.032 -14.341 1.00 0.00 H new ATOM 0 HA LYS B 371 2.222 6.844 -13.463 1.00 0.00 H new ATOM 0 HB2 LYS B 371 3.046 5.105 -15.400 1.00 0.00 H new ATOM 0 HB3 LYS B 371 2.377 4.631 -13.851 1.00 0.00 H new ATOM 0 HG2 LYS B 371 0.296 4.077 -14.757 1.00 0.00 H new ATOM 0 HG3 LYS B 371 0.493 5.131 -16.142 1.00 0.00 H new ATOM 0 HD2 LYS B 371 1.502 3.512 -17.369 1.00 0.00 H new ATOM 0 HD3 LYS B 371 2.583 3.076 -16.060 1.00 0.00 H new ATOM 0 HE2 LYS B 371 -0.329 2.265 -15.950 1.00 0.00 H new ATOM 0 HE3 LYS B 371 0.802 1.339 -16.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 0.605 0.432 -14.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 2.180 1.012 -14.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 1.085 1.909 -14.008 1.00 0.00 H new ATOM 1144 N ARG B 372 1.924 7.677 -16.632 1.00 0.00 N ATOM 1145 CA ARG B 372 2.458 8.524 -17.687 1.00 0.00 C ATOM 1146 C ARG B 372 2.599 9.959 -17.192 1.00 0.00 C ATOM 1147 O ARG B 372 3.702 10.493 -17.108 1.00 0.00 O ATOM 1148 CB ARG B 372 1.537 8.479 -18.911 1.00 0.00 C ATOM 1149 CG ARG B 372 2.226 8.840 -20.218 1.00 0.00 C ATOM 1150 CD ARG B 372 2.057 10.315 -20.551 1.00 0.00 C ATOM 1151 NE ARG B 372 0.730 10.811 -20.202 1.00 0.00 N ATOM 1152 CZ ARG B 372 -0.298 10.841 -21.046 1.00 0.00 C ATOM 1153 NH1 ARG B 372 -0.158 10.396 -22.290 1.00 0.00 N ATOM 1154 NH2 ARG B 372 -1.470 11.311 -20.645 1.00 0.00 N ATOM 0 H ARG B 372 1.044 7.219 -16.868 1.00 0.00 H new ATOM 0 HA ARG B 372 3.443 8.153 -17.970 1.00 0.00 H new ATOM 0 HB2 ARG B 372 1.116 7.478 -18.999 1.00 0.00 H new ATOM 0 HB3 ARG B 372 0.703 9.163 -18.751 1.00 0.00 H new ATOM 0 HG2 ARG B 372 3.287 8.601 -20.149 1.00 0.00 H new ATOM 0 HG3 ARG B 372 1.815 8.235 -21.026 1.00 0.00 H new ATOM 0 HD2 ARG B 372 2.811 10.895 -20.018 1.00 0.00 H new ATOM 0 HD3 ARG B 372 2.231 10.467 -21.616 1.00 0.00 H new ATOM 0 HE ARG B 372 0.581 11.156 -19.254 1.00 0.00 H new ATOM 0 HH11 ARG B 372 0.741 10.029 -22.602 1.00 0.00 H new ATOM 0 HH12 ARG B 372 -0.950 10.421 -22.933 1.00 0.00 H new ATOM 0 HH21 ARG B 372 -1.584 11.650 -19.690 1.00 0.00 H new ATOM 0 HH22 ARG B 372 -2.258 11.334 -21.292 1.00 0.00 H new ATOM 1168 N GLN B 373 1.471 10.574 -16.860 1.00 0.00 N ATOM 1169 CA GLN B 373 1.461 11.947 -16.371 1.00 0.00 C ATOM 1170 C GLN B 373 2.543 12.171 -15.319 1.00 0.00 C ATOM 1171 O GLN B 373 3.120 13.255 -15.231 1.00 0.00 O ATOM 1172 CB GLN B 373 0.091 12.288 -15.777 1.00 0.00 C ATOM 1173 CG GLN B 373 -0.307 13.742 -15.974 1.00 0.00 C ATOM 1174 CD GLN B 373 0.674 14.707 -15.336 1.00 0.00 C ATOM 1175 OE1 GLN B 373 0.950 15.777 -15.878 1.00 0.00 O ATOM 1176 NE2 GLN B 373 1.206 14.334 -14.178 1.00 0.00 N ATOM 0 H GLN B 373 0.549 10.142 -16.921 1.00 0.00 H new ATOM 0 HA GLN B 373 1.665 12.601 -17.219 1.00 0.00 H new ATOM 0 HB2 GLN B 373 -0.664 11.647 -16.233 1.00 0.00 H new ATOM 0 HB3 GLN B 373 0.099 12.062 -14.711 1.00 0.00 H new ATOM 0 HG2 GLN B 373 -0.378 13.954 -17.041 1.00 0.00 H new ATOM 0 HG3 GLN B 373 -1.298 13.904 -15.550 1.00 0.00 H new ATOM 0 HE21 GLN B 373 0.949 13.438 -13.764 1.00 0.00 H new ATOM 0 HE22 GLN B 373 1.872 14.944 -13.703 1.00 0.00 H new ATOM 1185 N LEU B 374 2.798 11.150 -14.512 1.00 0.00 N ATOM 1186 CA LEU B 374 3.792 11.250 -13.450 1.00 0.00 C ATOM 1187 C LEU B 374 5.217 11.357 -13.994 1.00 0.00 C ATOM 1188 O LEU B 374 5.813 12.435 -13.979 1.00 0.00 O ATOM 1189 CB LEU B 374 3.685 10.050 -12.504 1.00 0.00 C ATOM 1190 CG LEU B 374 2.263 9.625 -12.138 1.00 0.00 C ATOM 1191 CD1 LEU B 374 2.235 9.007 -10.750 1.00 0.00 C ATOM 1192 CD2 LEU B 374 1.313 10.810 -12.218 1.00 0.00 C ATOM 0 H LEU B 374 2.332 10.245 -14.571 1.00 0.00 H new ATOM 0 HA LEU B 374 3.580 12.168 -12.902 1.00 0.00 H new ATOM 0 HB2 LEU B 374 4.192 9.201 -12.963 1.00 0.00 H new ATOM 0 HB3 LEU B 374 4.223 10.284 -11.586 1.00 0.00 H new ATOM 0 HG LEU B 374 1.931 8.874 -12.855 1.00 0.00 H new ATOM 0 HD11 LEU B 374 1.215 8.710 -10.505 1.00 0.00 H new ATOM 0 HD12 LEU B 374 2.883 8.131 -10.729 1.00 0.00 H new ATOM 0 HD13 LEU B 374 2.586 9.736 -10.020 1.00 0.00 H new ATOM 0 HD21 LEU B 374 0.306 10.487 -11.954 1.00 0.00 H new ATOM 0 HD22 LEU B 374 1.639 11.585 -11.525 1.00 0.00 H new ATOM 0 HD23 LEU B 374 1.312 11.208 -13.233 1.00 0.00 H new ATOM 1204 N TYR B 375 5.770 10.231 -14.441 1.00 0.00 N ATOM 1205 CA TYR B 375 7.140 10.206 -14.945 1.00 0.00 C ATOM 1206 C TYR B 375 7.231 10.600 -16.415 1.00 0.00 C ATOM 1207 O TYR B 375 8.206 10.271 -17.089 1.00 0.00 O ATOM 1208 CB TYR B 375 7.746 8.816 -14.740 1.00 0.00 C ATOM 1209 CG TYR B 375 8.316 8.605 -13.357 1.00 0.00 C ATOM 1210 CD1 TYR B 375 7.913 9.399 -12.292 1.00 0.00 C ATOM 1211 CD2 TYR B 375 9.259 7.615 -13.118 1.00 0.00 C ATOM 1212 CE1 TYR B 375 8.434 9.212 -11.025 1.00 0.00 C ATOM 1213 CE2 TYR B 375 9.784 7.420 -11.855 1.00 0.00 C ATOM 1214 CZ TYR B 375 9.368 8.221 -10.812 1.00 0.00 C ATOM 1215 OH TYR B 375 9.889 8.032 -9.553 1.00 0.00 O ATOM 0 H TYR B 375 5.293 9.330 -14.464 1.00 0.00 H new ATOM 0 HA TYR B 375 7.704 10.946 -14.378 1.00 0.00 H new ATOM 0 HB2 TYR B 375 6.980 8.063 -14.927 1.00 0.00 H new ATOM 0 HB3 TYR B 375 8.534 8.660 -15.477 1.00 0.00 H new ATOM 0 HD1 TYR B 375 7.180 10.176 -12.456 1.00 0.00 H new ATOM 0 HD2 TYR B 375 9.588 6.987 -13.933 1.00 0.00 H new ATOM 0 HE1 TYR B 375 8.111 9.839 -10.207 1.00 0.00 H new ATOM 0 HE2 TYR B 375 10.516 6.644 -11.685 1.00 0.00 H new ATOM 0 HH TYR B 375 10.533 7.294 -9.573 1.00 0.00 H new ATOM 1225 N SER B 376 6.229 11.309 -16.910 1.00 0.00 N ATOM 1226 CA SER B 376 6.225 11.740 -18.302 1.00 0.00 C ATOM 1227 C SER B 376 5.902 13.225 -18.414 1.00 0.00 C ATOM 1228 O SER B 376 6.448 13.925 -19.267 1.00 0.00 O ATOM 1229 CB SER B 376 5.216 10.929 -19.112 1.00 0.00 C ATOM 1230 OG SER B 376 5.672 10.715 -20.435 1.00 0.00 O ATOM 0 H SER B 376 5.411 11.598 -16.373 1.00 0.00 H new ATOM 0 HA SER B 376 7.223 11.571 -18.705 1.00 0.00 H new ATOM 0 HB2 SER B 376 5.043 9.969 -18.625 1.00 0.00 H new ATOM 0 HB3 SER B 376 4.260 11.452 -19.135 1.00 0.00 H new ATOM 0 HG SER B 376 5.007 10.192 -20.930 1.00 0.00 H new ATOM 1236 N LEU B 377 5.009 13.700 -17.553 1.00 0.00 N ATOM 1237 CA LEU B 377 4.617 15.099 -17.568 1.00 0.00 C ATOM 1238 C LEU B 377 5.289 15.871 -16.438 1.00 0.00 C ATOM 1239 O LEU B 377 5.506 17.077 -16.546 1.00 0.00 O ATOM 1240 CB LEU B 377 3.096 15.229 -17.463 1.00 0.00 C ATOM 1241 CG LEU B 377 2.368 15.382 -18.798 1.00 0.00 C ATOM 1242 CD1 LEU B 377 2.061 14.017 -19.395 1.00 0.00 C ATOM 1243 CD2 LEU B 377 1.089 16.188 -18.620 1.00 0.00 C ATOM 0 H LEU B 377 4.546 13.137 -16.839 1.00 0.00 H new ATOM 0 HA LEU B 377 4.944 15.528 -18.515 1.00 0.00 H new ATOM 0 HB2 LEU B 377 2.705 14.349 -16.952 1.00 0.00 H new ATOM 0 HB3 LEU B 377 2.862 16.091 -16.838 1.00 0.00 H new ATOM 0 HG LEU B 377 3.019 15.921 -19.486 1.00 0.00 H new ATOM 0 HD11 LEU B 377 1.542 14.144 -20.345 1.00 0.00 H new ATOM 0 HD12 LEU B 377 2.992 13.474 -19.559 1.00 0.00 H new ATOM 0 HD13 LEU B 377 1.428 13.454 -18.709 1.00 0.00 H new ATOM 0 HD21 LEU B 377 0.584 16.287 -19.581 1.00 0.00 H new ATOM 0 HD22 LEU B 377 0.432 15.677 -17.916 1.00 0.00 H new ATOM 0 HD23 LEU B 377 1.333 17.178 -18.235 1.00 0.00 H new ATOM 1255 N ILE B 378 5.615 15.178 -15.347 1.00 0.00 N ATOM 1256 CA ILE B 378 6.253 15.823 -14.207 1.00 0.00 C ATOM 1257 C ILE B 378 7.339 14.943 -13.606 1.00 0.00 C ATOM 1258 O ILE B 378 7.506 14.902 -12.389 1.00 0.00 O ATOM 1259 CB ILE B 378 5.226 16.151 -13.112 1.00 0.00 C ATOM 1260 CG1 ILE B 378 3.912 16.599 -13.743 1.00 0.00 C ATOM 1261 CG2 ILE B 378 5.767 17.220 -12.177 1.00 0.00 C ATOM 1262 CD1 ILE B 378 3.961 18.000 -14.316 1.00 0.00 C ATOM 0 H ILE B 378 5.448 14.178 -15.232 1.00 0.00 H new ATOM 0 HA ILE B 378 6.701 16.745 -14.578 1.00 0.00 H new ATOM 0 HB ILE B 378 5.039 15.251 -12.525 1.00 0.00 H new ATOM 0 HG12 ILE B 378 3.642 15.901 -14.535 1.00 0.00 H new ATOM 0 HG13 ILE B 378 3.123 16.550 -12.993 1.00 0.00 H new ATOM 0 HG21 ILE B 378 5.026 17.440 -11.408 1.00 0.00 H new ATOM 0 HG22 ILE B 378 6.683 16.862 -11.707 1.00 0.00 H new ATOM 0 HG23 ILE B 378 5.980 18.126 -12.745 1.00 0.00 H new ATOM 0 HD11 ILE B 378 2.992 18.251 -14.748 1.00 0.00 H new ATOM 0 HD12 ILE B 378 4.199 18.709 -13.523 1.00 0.00 H new ATOM 0 HD13 ILE B 378 4.727 18.050 -15.090 1.00 0.00 H new ATOM 1274 N GLY B 379 8.070 14.236 -14.458 1.00 0.00 N ATOM 1275 CA GLY B 379 9.122 13.365 -13.973 1.00 0.00 C ATOM 1276 C GLY B 379 10.459 13.635 -14.628 1.00 0.00 C ATOM 1277 O GLY B 379 10.762 13.083 -15.687 1.00 0.00 O ATOM 0 H GLY B 379 7.954 14.250 -15.471 1.00 0.00 H new ATOM 0 HA2 GLY B 379 9.220 13.488 -12.894 1.00 0.00 H new ATOM 0 HA3 GLY B 379 8.839 12.328 -14.151 1.00 0.00 H new ATOM 1281 N TYR B 380 11.266 14.476 -13.992 1.00 0.00 N ATOM 1282 CA TYR B 380 12.584 14.806 -14.512 1.00 0.00 C ATOM 1283 C TYR B 380 13.664 14.103 -13.699 1.00 0.00 C ATOM 1284 O TYR B 380 13.368 13.234 -12.879 1.00 0.00 O ATOM 1285 CB TYR B 380 12.806 16.319 -14.489 1.00 0.00 C ATOM 1286 CG TYR B 380 12.593 16.946 -13.130 1.00 0.00 C ATOM 1287 CD1 TYR B 380 13.637 17.039 -12.217 1.00 0.00 C ATOM 1288 CD2 TYR B 380 11.351 17.445 -12.758 1.00 0.00 C ATOM 1289 CE1 TYR B 380 13.449 17.611 -10.974 1.00 0.00 C ATOM 1290 CE2 TYR B 380 11.154 18.019 -11.516 1.00 0.00 C ATOM 1291 CZ TYR B 380 12.207 18.100 -10.629 1.00 0.00 C ATOM 1292 OH TYR B 380 12.019 18.669 -9.391 1.00 0.00 O ATOM 0 H TYR B 380 11.029 14.941 -13.116 1.00 0.00 H new ATOM 0 HA TYR B 380 12.643 14.463 -15.545 1.00 0.00 H new ATOM 0 HB2 TYR B 380 13.821 16.533 -14.822 1.00 0.00 H new ATOM 0 HB3 TYR B 380 12.130 16.787 -15.205 1.00 0.00 H new ATOM 0 HD1 TYR B 380 14.611 16.658 -12.484 1.00 0.00 H new ATOM 0 HD2 TYR B 380 10.525 17.383 -13.451 1.00 0.00 H new ATOM 0 HE1 TYR B 380 14.271 17.675 -10.276 1.00 0.00 H new ATOM 0 HE2 TYR B 380 10.182 18.402 -11.242 1.00 0.00 H new ATOM 0 HH TYR B 380 11.060 18.729 -9.201 1.00 0.00 H new ATOM 1302 N ALA B 381 14.914 14.479 -13.929 1.00 0.00 N ATOM 1303 CA ALA B 381 16.030 13.876 -13.214 1.00 0.00 C ATOM 1304 C ALA B 381 16.297 14.596 -11.899 1.00 0.00 C ATOM 1305 O ALA B 381 16.779 15.729 -11.894 1.00 0.00 O ATOM 1306 CB ALA B 381 17.284 13.870 -14.071 1.00 0.00 C ATOM 0 H ALA B 381 15.181 15.197 -14.603 1.00 0.00 H new ATOM 0 HA ALA B 381 15.756 12.845 -12.990 1.00 0.00 H new ATOM 0 HB1 ALA B 381 18.103 13.415 -13.514 1.00 0.00 H new ATOM 0 HB2 ALA B 381 17.101 13.297 -14.980 1.00 0.00 H new ATOM 0 HB3 ALA B 381 17.550 14.894 -14.334 1.00 0.00 H new ATOM 1312 N SER B 382 15.982 13.918 -10.791 1.00 0.00 N ATOM 1313 CA SER B 382 16.183 14.453 -9.441 1.00 0.00 C ATOM 1314 C SER B 382 14.870 14.911 -8.812 1.00 0.00 C ATOM 1315 O SER B 382 14.836 15.907 -8.090 1.00 0.00 O ATOM 1316 CB SER B 382 17.183 15.611 -9.444 1.00 0.00 C ATOM 1317 OG SER B 382 17.580 15.946 -8.125 1.00 0.00 O ATOM 0 H SER B 382 15.580 12.981 -10.805 1.00 0.00 H new ATOM 0 HA SER B 382 16.588 13.639 -8.840 1.00 0.00 H new ATOM 0 HB2 SER B 382 18.059 15.338 -10.032 1.00 0.00 H new ATOM 0 HB3 SER B 382 16.735 16.481 -9.924 1.00 0.00 H new ATOM 0 HG SER B 382 16.788 16.166 -7.591 1.00 0.00 H new ATOM 1323 N LEU B 383 13.793 14.174 -9.073 1.00 0.00 N ATOM 1324 CA LEU B 383 12.490 14.507 -8.507 1.00 0.00 C ATOM 1325 C LEU B 383 12.334 13.858 -7.137 1.00 0.00 C ATOM 1326 O LEU B 383 11.980 14.515 -6.159 1.00 0.00 O ATOM 1327 CB LEU B 383 11.364 14.050 -9.436 1.00 0.00 C ATOM 1328 CG LEU B 383 10.079 14.872 -9.339 1.00 0.00 C ATOM 1329 CD1 LEU B 383 9.114 14.489 -10.448 1.00 0.00 C ATOM 1330 CD2 LEU B 383 9.430 14.684 -7.975 1.00 0.00 C ATOM 0 H LEU B 383 13.797 13.347 -9.670 1.00 0.00 H new ATOM 0 HA LEU B 383 12.428 15.590 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU B 383 11.724 14.085 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU B 383 11.130 13.009 -9.215 1.00 0.00 H new ATOM 0 HG LEU B 383 10.334 15.925 -9.457 1.00 0.00 H new ATOM 0 HD11 LEU B 383 8.206 15.085 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU B 383 9.580 14.675 -11.416 1.00 0.00 H new ATOM 0 HD13 LEU B 383 8.864 13.432 -10.363 1.00 0.00 H new ATOM 0 HD21 LEU B 383 8.516 15.276 -7.922 1.00 0.00 H new ATOM 0 HD22 LEU B 383 9.189 13.631 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU B 383 10.119 15.010 -7.196 1.00 0.00 H new ATOM 1342 N ARG B 384 12.628 12.565 -7.079 1.00 0.00 N ATOM 1343 CA ARG B 384 12.553 11.812 -5.833 1.00 0.00 C ATOM 1344 C ARG B 384 11.114 11.567 -5.387 1.00 0.00 C ATOM 1345 O ARG B 384 10.827 11.552 -4.189 1.00 0.00 O ATOM 1346 CB ARG B 384 13.321 12.541 -4.730 1.00 0.00 C ATOM 1347 CG ARG B 384 14.016 11.606 -3.755 1.00 0.00 C ATOM 1348 CD ARG B 384 15.505 11.896 -3.671 1.00 0.00 C ATOM 1349 NE ARG B 384 15.891 12.394 -2.355 1.00 0.00 N ATOM 1350 CZ ARG B 384 17.086 12.908 -2.085 1.00 0.00 C ATOM 1351 NH1 ARG B 384 18.004 12.991 -3.037 1.00 0.00 N ATOM 1352 NH2 ARG B 384 17.363 13.341 -0.863 1.00 0.00 N ATOM 0 H ARG B 384 12.922 12.013 -7.885 1.00 0.00 H new ATOM 0 HA ARG B 384 13.008 10.839 -6.019 1.00 0.00 H new ATOM 0 HB2 ARG B 384 14.064 13.194 -5.187 1.00 0.00 H new ATOM 0 HB3 ARG B 384 12.631 13.180 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG B 384 13.568 11.710 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG B 384 13.862 10.573 -4.067 1.00 0.00 H new ATOM 0 HD2 ARG B 384 16.065 10.987 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG B 384 15.775 12.630 -4.430 1.00 0.00 H new ATOM 0 HE ARG B 384 15.206 12.345 -1.601 1.00 0.00 H new ATOM 0 HH11 ARG B 384 17.794 12.660 -3.979 1.00 0.00 H new ATOM 0 HH12 ARG B 384 18.921 13.386 -2.828 1.00 0.00 H new ATOM 0 HH21 ARG B 384 16.658 13.280 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG B 384 18.281 13.735 -0.658 1.00 0.00 H new ATOM 1366 N LEU B 385 10.211 11.352 -6.343 1.00 0.00 N ATOM 1367 CA LEU B 385 8.818 11.079 -6.016 1.00 0.00 C ATOM 1368 C LEU B 385 8.763 10.160 -4.806 1.00 0.00 C ATOM 1369 O LEU B 385 9.592 9.260 -4.676 1.00 0.00 O ATOM 1370 CB LEU B 385 8.112 10.430 -7.206 1.00 0.00 C ATOM 1371 CG LEU B 385 6.665 10.870 -7.422 1.00 0.00 C ATOM 1372 CD1 LEU B 385 6.592 11.977 -8.462 1.00 0.00 C ATOM 1373 CD2 LEU B 385 5.811 9.683 -7.843 1.00 0.00 C ATOM 0 H LEU B 385 10.420 11.362 -7.341 1.00 0.00 H new ATOM 0 HA LEU B 385 8.309 12.015 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU B 385 8.681 10.650 -8.110 1.00 0.00 H new ATOM 0 HB3 LEU B 385 8.130 9.348 -7.073 1.00 0.00 H new ATOM 0 HG LEU B 385 6.277 11.261 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU B 385 5.553 12.277 -8.602 1.00 0.00 H new ATOM 0 HD12 LEU B 385 7.175 12.834 -8.123 1.00 0.00 H new ATOM 0 HD13 LEU B 385 6.996 11.615 -9.408 1.00 0.00 H new ATOM 0 HD21 LEU B 385 4.782 10.010 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU B 385 6.199 9.267 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU B 385 5.839 8.920 -7.065 1.00 0.00 H new ATOM 1385 N HIS B 386 7.819 10.390 -3.901 1.00 0.00 N ATOM 1386 CA HIS B 386 7.746 9.557 -2.706 1.00 0.00 C ATOM 1387 C HIS B 386 6.364 8.960 -2.440 1.00 0.00 C ATOM 1388 O HIS B 386 5.599 9.482 -1.626 1.00 0.00 O ATOM 1389 CB HIS B 386 8.202 10.351 -1.481 1.00 0.00 C ATOM 1390 CG HIS B 386 9.139 9.592 -0.597 1.00 0.00 C ATOM 1391 ND1 HIS B 386 10.490 9.482 -0.853 1.00 0.00 N ATOM 1392 CD2 HIS B 386 8.917 8.899 0.546 1.00 0.00 C ATOM 1393 CE1 HIS B 386 11.057 8.754 0.091 1.00 0.00 C ATOM 1394 NE2 HIS B 386 10.125 8.389 0.952 1.00 0.00 N ATOM 0 H HIS B 386 7.113 11.123 -3.966 1.00 0.00 H new ATOM 0 HA HIS B 386 8.414 8.716 -2.893 1.00 0.00 H new ATOM 0 HB2 HIS B 386 8.689 11.268 -1.812 1.00 0.00 H new ATOM 0 HB3 HIS B 386 7.327 10.646 -0.902 1.00 0.00 H new ATOM 0 HD2 HIS B 386 7.967 8.772 1.044 1.00 0.00 H new ATOM 0 HE1 HIS B 386 12.105 8.500 0.149 1.00 0.00 H new ATOM 0 HE2 HIS B 386 10.278 7.820 1.785 1.00 0.00 H new ATOM 1403 N TYR B 387 6.065 7.840 -3.096 1.00 0.00 N ATOM 1404 CA TYR B 387 4.803 7.147 -2.881 1.00 0.00 C ATOM 1405 C TYR B 387 4.906 6.238 -1.665 1.00 0.00 C ATOM 1406 O TYR B 387 5.700 5.297 -1.651 1.00 0.00 O ATOM 1407 CB TYR B 387 4.416 6.320 -4.101 1.00 0.00 C ATOM 1408 CG TYR B 387 3.642 7.126 -5.093 1.00 0.00 C ATOM 1409 CD1 TYR B 387 4.092 8.379 -5.450 1.00 0.00 C ATOM 1410 CD2 TYR B 387 2.461 6.659 -5.651 1.00 0.00 C ATOM 1411 CE1 TYR B 387 3.398 9.154 -6.337 1.00 0.00 C ATOM 1412 CE2 TYR B 387 1.753 7.430 -6.549 1.00 0.00 C ATOM 1413 CZ TYR B 387 2.224 8.681 -6.891 1.00 0.00 C ATOM 1414 OH TYR B 387 1.522 9.458 -7.783 1.00 0.00 O ATOM 0 H TYR B 387 6.680 7.397 -3.778 1.00 0.00 H new ATOM 0 HA TYR B 387 4.032 7.899 -2.712 1.00 0.00 H new ATOM 0 HB2 TYR B 387 5.316 5.927 -4.574 1.00 0.00 H new ATOM 0 HB3 TYR B 387 3.821 5.463 -3.786 1.00 0.00 H new ATOM 0 HD1 TYR B 387 5.009 8.755 -5.021 1.00 0.00 H new ATOM 0 HD2 TYR B 387 2.092 5.681 -5.379 1.00 0.00 H new ATOM 0 HE1 TYR B 387 3.767 10.133 -6.604 1.00 0.00 H new ATOM 0 HE2 TYR B 387 0.836 7.057 -6.981 1.00 0.00 H new ATOM 0 HH TYR B 387 0.985 10.115 -7.293 1.00 0.00 H new ATOM 1424 N VAL B 388 4.108 6.520 -0.647 1.00 0.00 N ATOM 1425 CA VAL B 388 4.126 5.719 0.567 1.00 0.00 C ATOM 1426 C VAL B 388 2.812 4.973 0.750 1.00 0.00 C ATOM 1427 O VAL B 388 1.766 5.581 0.971 1.00 0.00 O ATOM 1428 CB VAL B 388 4.393 6.577 1.820 1.00 0.00 C ATOM 1429 CG1 VAL B 388 5.486 5.945 2.666 1.00 0.00 C ATOM 1430 CG2 VAL B 388 4.764 8.002 1.437 1.00 0.00 C ATOM 0 H VAL B 388 3.443 7.293 -0.637 1.00 0.00 H new ATOM 0 HA VAL B 388 4.940 5.004 0.453 1.00 0.00 H new ATOM 0 HB VAL B 388 3.477 6.618 2.409 1.00 0.00 H new ATOM 0 HG11 VAL B 388 5.665 6.560 3.548 1.00 0.00 H new ATOM 0 HG12 VAL B 388 5.175 4.948 2.977 1.00 0.00 H new ATOM 0 HG13 VAL B 388 6.403 5.873 2.081 1.00 0.00 H new ATOM 0 HG21 VAL B 388 4.947 8.585 2.339 1.00 0.00 H new ATOM 0 HG22 VAL B 388 5.665 7.991 0.823 1.00 0.00 H new ATOM 0 HG23 VAL B 388 3.946 8.452 0.874 1.00 0.00 H new ATOM 1440 N THR B 389 2.875 3.649 0.665 1.00 0.00 N ATOM 1441 CA THR B 389 1.689 2.823 0.833 1.00 0.00 C ATOM 1442 C THR B 389 1.333 2.703 2.305 1.00 0.00 C ATOM 1443 O THR B 389 2.179 2.358 3.132 1.00 0.00 O ATOM 1444 CB THR B 389 1.881 1.414 0.249 1.00 0.00 C ATOM 1445 OG1 THR B 389 2.047 1.456 -1.175 1.00 0.00 O ATOM 1446 CG2 THR B 389 0.683 0.533 0.572 1.00 0.00 C ATOM 0 H THR B 389 3.732 3.128 0.481 1.00 0.00 H new ATOM 0 HA THR B 389 0.881 3.313 0.290 1.00 0.00 H new ATOM 0 HB THR B 389 2.781 0.999 0.702 1.00 0.00 H new ATOM 0 HG1 THR B 389 2.169 0.546 -1.517 1.00 0.00 H new ATOM 0 HG21 THR B 389 0.838 -0.460 0.150 1.00 0.00 H new ATOM 0 HG22 THR B 389 0.570 0.455 1.653 1.00 0.00 H new ATOM 0 HG23 THR B 389 -0.218 0.973 0.144 1.00 0.00 H new ATOM 1454 N VAL B 390 0.085 2.998 2.632 1.00 0.00 N ATOM 1455 CA VAL B 390 -0.367 2.929 4.010 1.00 0.00 C ATOM 1456 C VAL B 390 -1.714 2.225 4.120 1.00 0.00 C ATOM 1457 O VAL B 390 -2.521 2.245 3.188 1.00 0.00 O ATOM 1458 CB VAL B 390 -0.469 4.335 4.627 1.00 0.00 C ATOM 1459 CG1 VAL B 390 0.902 4.995 4.671 1.00 0.00 C ATOM 1460 CG2 VAL B 390 -1.448 5.191 3.842 1.00 0.00 C ATOM 0 H VAL B 390 -0.630 3.286 1.964 1.00 0.00 H new ATOM 0 HA VAL B 390 0.374 2.350 4.562 1.00 0.00 H new ATOM 0 HB VAL B 390 -0.839 4.239 5.648 1.00 0.00 H new ATOM 0 HG11 VAL B 390 0.813 5.989 5.110 1.00 0.00 H new ATOM 0 HG12 VAL B 390 1.578 4.390 5.276 1.00 0.00 H new ATOM 0 HG13 VAL B 390 1.298 5.079 3.659 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -1.507 6.182 4.293 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -1.107 5.281 2.811 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.433 4.725 3.859 1.00 0.00 H new ATOM 1470 N LYS B 391 -1.939 1.597 5.269 1.00 0.00 N ATOM 1471 CA LYS B 391 -3.174 0.873 5.529 1.00 0.00 C ATOM 1472 C LYS B 391 -3.114 -0.536 4.945 1.00 0.00 C ATOM 1473 O LYS B 391 -3.990 -0.933 4.176 1.00 0.00 O ATOM 1474 CB LYS B 391 -4.370 1.629 4.951 1.00 0.00 C ATOM 1475 CG LYS B 391 -5.716 1.106 5.430 1.00 0.00 C ATOM 1476 CD LYS B 391 -5.672 0.682 6.891 1.00 0.00 C ATOM 1477 CE LYS B 391 -5.418 1.864 7.812 1.00 0.00 C ATOM 1478 NZ LYS B 391 -5.650 1.509 9.240 1.00 0.00 N ATOM 0 H LYS B 391 -1.273 1.576 6.041 1.00 0.00 H new ATOM 0 HA LYS B 391 -3.295 0.793 6.609 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -4.285 2.683 5.216 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -4.334 1.570 3.863 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -6.473 1.879 5.299 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -6.016 0.258 4.815 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -6.615 0.207 7.161 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -4.888 -0.063 7.030 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -4.392 2.211 7.685 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -6.071 2.691 7.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -5.467 2.340 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -6.636 1.202 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -5.009 0.737 9.514 1.00 0.00 H new ATOM 1492 N LYS B 392 -2.077 -1.286 5.316 1.00 0.00 N ATOM 1493 CA LYS B 392 -1.908 -2.653 4.829 1.00 0.00 C ATOM 1494 C LYS B 392 -3.264 -3.331 4.666 1.00 0.00 C ATOM 1495 O LYS B 392 -4.176 -3.104 5.461 1.00 0.00 O ATOM 1496 CB LYS B 392 -1.028 -3.463 5.787 1.00 0.00 C ATOM 1497 CG LYS B 392 -1.054 -2.960 7.222 1.00 0.00 C ATOM 1498 CD LYS B 392 0.321 -2.493 7.674 1.00 0.00 C ATOM 1499 CE LYS B 392 0.574 -1.040 7.300 1.00 0.00 C ATOM 1500 NZ LYS B 392 1.762 -0.483 8.006 1.00 0.00 N ATOM 0 H LYS B 392 -1.343 -0.970 5.951 1.00 0.00 H new ATOM 0 HA LYS B 392 -1.416 -2.610 3.857 1.00 0.00 H new ATOM 0 HB2 LYS B 392 -1.353 -4.503 5.771 1.00 0.00 H new ATOM 0 HB3 LYS B 392 -0.000 -3.444 5.424 1.00 0.00 H new ATOM 0 HG2 LYS B 392 -1.765 -2.138 7.308 1.00 0.00 H new ATOM 0 HG3 LYS B 392 -1.404 -3.755 7.881 1.00 0.00 H new ATOM 0 HD2 LYS B 392 0.408 -2.611 8.754 1.00 0.00 H new ATOM 0 HD3 LYS B 392 1.086 -3.124 7.221 1.00 0.00 H new ATOM 0 HE2 LYS B 392 0.723 -0.963 6.223 1.00 0.00 H new ATOM 0 HE3 LYS B 392 -0.306 -0.444 7.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 392 1.900 0.508 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 392 1.610 -0.533 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 392 2.606 -1.035 7.754 1.00 0.00 H new ATOM 1514 N PRO B 393 -3.428 -4.161 3.624 1.00 0.00 N ATOM 1515 CA PRO B 393 -4.690 -4.845 3.362 1.00 0.00 C ATOM 1516 C PRO B 393 -4.963 -5.996 4.316 1.00 0.00 C ATOM 1517 O PRO B 393 -4.052 -6.578 4.904 1.00 0.00 O ATOM 1518 CB PRO B 393 -4.546 -5.393 1.945 1.00 0.00 C ATOM 1519 CG PRO B 393 -3.248 -4.865 1.418 1.00 0.00 C ATOM 1520 CD PRO B 393 -2.417 -4.482 2.612 1.00 0.00 C ATOM 0 HA PRO B 393 -5.522 -4.153 3.491 1.00 0.00 H new ATOM 0 HB2 PRO B 393 -4.549 -6.483 1.948 1.00 0.00 H new ATOM 0 HB3 PRO B 393 -5.379 -5.073 1.318 1.00 0.00 H new ATOM 0 HG2 PRO B 393 -2.739 -5.620 0.819 1.00 0.00 H new ATOM 0 HG3 PRO B 393 -3.415 -4.004 0.771 1.00 0.00 H new ATOM 0 HD2 PRO B 393 -1.769 -5.298 2.932 1.00 0.00 H new ATOM 0 HD3 PRO B 393 -1.773 -3.629 2.399 1.00 0.00 H new ATOM 1528 N THR B 394 -6.242 -6.299 4.458 1.00 0.00 N ATOM 1529 CA THR B 394 -6.688 -7.374 5.342 1.00 0.00 C ATOM 1530 C THR B 394 -7.805 -8.198 4.711 1.00 0.00 C ATOM 1531 O THR B 394 -8.419 -7.781 3.730 1.00 0.00 O ATOM 1532 CB THR B 394 -7.192 -6.825 6.694 1.00 0.00 C ATOM 1533 OG1 THR B 394 -8.572 -6.447 6.619 1.00 0.00 O ATOM 1534 CG2 THR B 394 -6.387 -5.609 7.139 1.00 0.00 C ATOM 0 H THR B 394 -6.997 -5.816 3.972 1.00 0.00 H new ATOM 0 HA THR B 394 -5.818 -8.010 5.507 1.00 0.00 H new ATOM 0 HB THR B 394 -7.068 -7.629 7.419 1.00 0.00 H new ATOM 0 HG1 THR B 394 -8.782 -5.828 7.349 1.00 0.00 H new ATOM 0 HG21 THR B 394 -6.769 -5.249 8.094 1.00 0.00 H new ATOM 0 HG22 THR B 394 -5.339 -5.887 7.249 1.00 0.00 H new ATOM 0 HG23 THR B 394 -6.476 -4.820 6.392 1.00 0.00 H new ATOM 1542 N ALA B 395 -8.080 -9.364 5.300 1.00 0.00 N ATOM 1543 CA ALA B 395 -9.146 -10.235 4.813 1.00 0.00 C ATOM 1544 C ALA B 395 -10.480 -9.843 5.445 1.00 0.00 C ATOM 1545 O ALA B 395 -11.473 -10.562 5.341 1.00 0.00 O ATOM 1546 CB ALA B 395 -8.834 -11.695 5.095 1.00 0.00 C ATOM 0 H ALA B 395 -7.579 -9.724 6.113 1.00 0.00 H new ATOM 0 HA ALA B 395 -9.218 -10.110 3.733 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -9.646 -12.319 4.721 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -7.905 -11.971 4.597 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -8.728 -11.843 6.170 1.00 0.00 H new ATOM 1552 N VAL B 396 -10.485 -8.673 6.071 1.00 0.00 N ATOM 1553 CA VAL B 396 -11.670 -8.117 6.704 1.00 0.00 C ATOM 1554 C VAL B 396 -11.727 -6.625 6.398 1.00 0.00 C ATOM 1555 O VAL B 396 -12.404 -5.851 7.075 1.00 0.00 O ATOM 1556 CB VAL B 396 -11.651 -8.332 8.229 1.00 0.00 C ATOM 1557 CG1 VAL B 396 -11.270 -9.766 8.563 1.00 0.00 C ATOM 1558 CG2 VAL B 396 -10.693 -7.353 8.891 1.00 0.00 C ATOM 0 H VAL B 396 -9.659 -8.080 6.153 1.00 0.00 H new ATOM 0 HA VAL B 396 -12.550 -8.626 6.310 1.00 0.00 H new ATOM 0 HB VAL B 396 -12.653 -8.148 8.616 1.00 0.00 H new ATOM 0 HG11 VAL B 396 -11.262 -9.898 9.645 1.00 0.00 H new ATOM 0 HG12 VAL B 396 -11.996 -10.448 8.120 1.00 0.00 H new ATOM 0 HG13 VAL B 396 -10.279 -9.981 8.164 1.00 0.00 H new ATOM 0 HG21 VAL B 396 -10.691 -7.518 9.968 1.00 0.00 H new ATOM 0 HG22 VAL B 396 -9.688 -7.506 8.499 1.00 0.00 H new ATOM 0 HG23 VAL B 396 -11.013 -6.332 8.681 1.00 0.00 H new ATOM 1568 N ASP B 397 -10.986 -6.247 5.361 1.00 0.00 N ATOM 1569 CA ASP B 397 -10.894 -4.866 4.910 1.00 0.00 C ATOM 1570 C ASP B 397 -9.671 -4.710 4.011 1.00 0.00 C ATOM 1571 O ASP B 397 -8.795 -3.884 4.266 1.00 0.00 O ATOM 1572 CB ASP B 397 -10.797 -3.914 6.104 1.00 0.00 C ATOM 1573 CG ASP B 397 -12.050 -3.080 6.279 1.00 0.00 C ATOM 1574 OD1 ASP B 397 -12.732 -2.813 5.265 1.00 0.00 O ATOM 1575 OD2 ASP B 397 -12.351 -2.693 7.427 1.00 0.00 O ATOM 0 H ASP B 397 -10.429 -6.897 4.807 1.00 0.00 H new ATOM 0 HA ASP B 397 -11.793 -4.614 4.348 1.00 0.00 H new ATOM 0 HB2 ASP B 397 -10.617 -4.490 7.012 1.00 0.00 H new ATOM 0 HB3 ASP B 397 -9.940 -3.254 5.971 1.00 0.00 H new ATOM 1580 N PRO B 398 -9.601 -5.525 2.946 1.00 0.00 N ATOM 1581 CA PRO B 398 -8.492 -5.515 1.988 1.00 0.00 C ATOM 1582 C PRO B 398 -8.113 -4.110 1.541 1.00 0.00 C ATOM 1583 O PRO B 398 -6.941 -3.739 1.530 1.00 0.00 O ATOM 1584 CB PRO B 398 -9.031 -6.323 0.793 1.00 0.00 C ATOM 1585 CG PRO B 398 -10.472 -6.591 1.094 1.00 0.00 C ATOM 1586 CD PRO B 398 -10.604 -6.530 2.586 1.00 0.00 C ATOM 0 HA PRO B 398 -7.585 -5.929 2.428 1.00 0.00 H new ATOM 0 HB2 PRO B 398 -8.924 -5.764 -0.136 1.00 0.00 H new ATOM 0 HB3 PRO B 398 -8.478 -7.254 0.670 1.00 0.00 H new ATOM 0 HG2 PRO B 398 -11.114 -5.851 0.616 1.00 0.00 H new ATOM 0 HG3 PRO B 398 -10.774 -7.568 0.716 1.00 0.00 H new ATOM 0 HD2 PRO B 398 -11.606 -6.233 2.894 1.00 0.00 H new ATOM 0 HD3 PRO B 398 -10.400 -7.494 3.052 1.00 0.00 H new ATOM 1594 N ASN B 399 -9.117 -3.343 1.156 1.00 0.00 N ATOM 1595 CA ASN B 399 -8.911 -1.982 0.677 1.00 0.00 C ATOM 1596 C ASN B 399 -7.727 -1.305 1.366 1.00 0.00 C ATOM 1597 O ASN B 399 -7.612 -1.311 2.592 1.00 0.00 O ATOM 1598 CB ASN B 399 -10.196 -1.151 0.838 1.00 0.00 C ATOM 1599 CG ASN B 399 -10.190 -0.250 2.061 1.00 0.00 C ATOM 1600 OD1 ASN B 399 -10.455 0.948 1.964 1.00 0.00 O ATOM 1601 ND2 ASN B 399 -9.890 -0.824 3.218 1.00 0.00 N ATOM 0 H ASN B 399 -10.093 -3.640 1.165 1.00 0.00 H new ATOM 0 HA ASN B 399 -8.669 -2.041 -0.384 1.00 0.00 H new ATOM 0 HB2 ASN B 399 -10.337 -0.539 -0.053 1.00 0.00 H new ATOM 0 HB3 ASN B 399 -11.050 -1.826 0.899 1.00 0.00 H new ATOM 0 HD21 ASN B 399 -9.873 -0.269 4.073 1.00 0.00 H new ATOM 0 HD22 ASN B 399 -9.677 -1.821 3.253 1.00 0.00 H new ATOM 1608 N SER B 400 -6.850 -0.724 0.555 1.00 0.00 N ATOM 1609 CA SER B 400 -5.666 -0.033 1.056 1.00 0.00 C ATOM 1610 C SER B 400 -5.521 1.328 0.384 1.00 0.00 C ATOM 1611 O SER B 400 -6.082 1.561 -0.687 1.00 0.00 O ATOM 1612 CB SER B 400 -4.413 -0.873 0.807 1.00 0.00 C ATOM 1613 OG SER B 400 -4.588 -2.202 1.263 1.00 0.00 O ATOM 0 H SER B 400 -6.938 -0.718 -0.461 1.00 0.00 H new ATOM 0 HA SER B 400 -5.783 0.115 2.130 1.00 0.00 H new ATOM 0 HB2 SER B 400 -4.182 -0.879 -0.258 1.00 0.00 H new ATOM 0 HB3 SER B 400 -3.562 -0.420 1.316 1.00 0.00 H new ATOM 0 HG SER B 400 -4.772 -2.196 2.226 1.00 0.00 H new ATOM 1619 N ILE B 401 -4.769 2.227 1.012 1.00 0.00 N ATOM 1620 CA ILE B 401 -4.566 3.558 0.458 1.00 0.00 C ATOM 1621 C ILE B 401 -3.095 3.803 0.134 1.00 0.00 C ATOM 1622 O ILE B 401 -2.217 3.059 0.573 1.00 0.00 O ATOM 1623 CB ILE B 401 -5.073 4.644 1.424 1.00 0.00 C ATOM 1624 CG1 ILE B 401 -4.919 6.031 0.799 1.00 0.00 C ATOM 1625 CG2 ILE B 401 -4.328 4.562 2.740 1.00 0.00 C ATOM 1626 CD1 ILE B 401 -5.736 7.103 1.487 1.00 0.00 C ATOM 0 H ILE B 401 -4.294 2.058 1.899 1.00 0.00 H new ATOM 0 HA ILE B 401 -5.141 3.614 -0.466 1.00 0.00 H new ATOM 0 HB ILE B 401 -6.132 4.475 1.616 1.00 0.00 H new ATOM 0 HG12 ILE B 401 -3.867 6.316 0.824 1.00 0.00 H new ATOM 0 HG13 ILE B 401 -5.211 5.981 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE B 401 -4.695 5.335 3.415 1.00 0.00 H new ATOM 0 HG22 ILE B 401 -4.489 3.582 3.189 1.00 0.00 H new ATOM 0 HG23 ILE B 401 -3.262 4.710 2.565 1.00 0.00 H new ATOM 0 HD11 ILE B 401 -5.576 8.059 0.988 1.00 0.00 H new ATOM 0 HD12 ILE B 401 -6.793 6.842 1.439 1.00 0.00 H new ATOM 0 HD13 ILE B 401 -5.429 7.182 2.530 1.00 0.00 H new ATOM 1638 N VAL B 402 -2.837 4.842 -0.654 1.00 0.00 N ATOM 1639 CA VAL B 402 -1.481 5.183 -1.064 1.00 0.00 C ATOM 1640 C VAL B 402 -1.237 6.682 -0.951 1.00 0.00 C ATOM 1641 O VAL B 402 -2.093 7.486 -1.321 1.00 0.00 O ATOM 1642 CB VAL B 402 -1.221 4.763 -2.526 1.00 0.00 C ATOM 1643 CG1 VAL B 402 0.177 4.195 -2.688 1.00 0.00 C ATOM 1644 CG2 VAL B 402 -2.268 3.766 -3.001 1.00 0.00 C ATOM 0 H VAL B 402 -3.555 5.465 -1.023 1.00 0.00 H new ATOM 0 HA VAL B 402 -0.805 4.646 -0.399 1.00 0.00 H new ATOM 0 HB VAL B 402 -1.297 5.655 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL B 402 0.334 3.907 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL B 402 0.911 4.949 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL B 402 0.291 3.320 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL B 402 -2.062 3.486 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL B 402 -2.236 2.877 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL B 402 -3.257 4.220 -2.938 1.00 0.00 H new ATOM 1654 N GLU B 403 -0.058 7.057 -0.462 1.00 0.00 N ATOM 1655 CA GLU B 403 0.304 8.461 -0.328 1.00 0.00 C ATOM 1656 C GLU B 403 1.226 8.875 -1.468 1.00 0.00 C ATOM 1657 O GLU B 403 2.268 8.261 -1.688 1.00 0.00 O ATOM 1658 CB GLU B 403 0.991 8.705 1.015 1.00 0.00 C ATOM 1659 CG GLU B 403 0.049 9.223 2.090 1.00 0.00 C ATOM 1660 CD GLU B 403 0.660 9.176 3.477 1.00 0.00 C ATOM 1661 OE1 GLU B 403 1.372 10.133 3.844 1.00 0.00 O ATOM 1662 OE2 GLU B 403 0.424 8.182 4.195 1.00 0.00 O ATOM 0 H GLU B 403 0.663 6.405 -0.152 1.00 0.00 H new ATOM 0 HA GLU B 403 -0.605 9.062 -0.371 1.00 0.00 H new ATOM 0 HB2 GLU B 403 1.444 7.775 1.357 1.00 0.00 H new ATOM 0 HB3 GLU B 403 1.800 9.422 0.876 1.00 0.00 H new ATOM 0 HG2 GLU B 403 -0.233 10.250 1.856 1.00 0.00 H new ATOM 0 HG3 GLU B 403 -0.866 8.631 2.081 1.00 0.00 H new ATOM 1669 N CYS B 404 0.846 9.932 -2.172 1.00 0.00 N ATOM 1670 CA CYS B 404 1.652 10.445 -3.272 1.00 0.00 C ATOM 1671 C CYS B 404 2.269 11.768 -2.855 1.00 0.00 C ATOM 1672 O CYS B 404 1.588 12.796 -2.829 1.00 0.00 O ATOM 1673 CB CYS B 404 0.808 10.625 -4.535 1.00 0.00 C ATOM 1674 SG CYS B 404 1.656 11.490 -5.876 1.00 0.00 S ATOM 0 H CYS B 404 -0.015 10.451 -2.001 1.00 0.00 H new ATOM 0 HA CYS B 404 2.439 9.727 -3.502 1.00 0.00 H new ATOM 0 HB2 CYS B 404 0.494 9.644 -4.892 1.00 0.00 H new ATOM 0 HB3 CYS B 404 -0.097 11.175 -4.278 1.00 0.00 H new ATOM 0 HG CYS B 404 2.347 10.638 -6.574 1.00 0.00 H new ATOM 1680 N ARG B 405 3.552 11.730 -2.504 1.00 0.00 N ATOM 1681 CA ARG B 405 4.246 12.922 -2.060 1.00 0.00 C ATOM 1682 C ARG B 405 5.685 12.941 -2.545 1.00 0.00 C ATOM 1683 O ARG B 405 6.510 12.134 -2.128 1.00 0.00 O ATOM 1684 CB ARG B 405 4.213 13.015 -0.532 1.00 0.00 C ATOM 1685 CG ARG B 405 5.098 11.989 0.163 1.00 0.00 C ATOM 1686 CD ARG B 405 4.970 12.066 1.676 1.00 0.00 C ATOM 1687 NE ARG B 405 5.924 11.184 2.347 1.00 0.00 N ATOM 1688 CZ ARG B 405 6.558 11.489 3.478 1.00 0.00 C ATOM 1689 NH1 ARG B 405 6.335 12.647 4.087 1.00 0.00 N ATOM 1690 NH2 ARG B 405 7.419 10.629 4.007 1.00 0.00 N ATOM 0 H ARG B 405 4.125 10.886 -2.520 1.00 0.00 H new ATOM 0 HA ARG B 405 3.732 13.783 -2.488 1.00 0.00 H new ATOM 0 HB2 ARG B 405 4.526 14.015 -0.231 1.00 0.00 H new ATOM 0 HB3 ARG B 405 3.186 12.886 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG B 405 4.828 10.988 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG B 405 6.137 12.152 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG B 405 5.133 13.093 2.003 1.00 0.00 H new ATOM 0 HD3 ARG B 405 3.956 11.795 1.969 1.00 0.00 H new ATOM 0 HE ARG B 405 6.116 10.277 1.922 1.00 0.00 H new ATOM 0 HH11 ARG B 405 5.673 13.313 3.689 1.00 0.00 H new ATOM 0 HH12 ARG B 405 6.826 12.871 4.953 1.00 0.00 H new ATOM 0 HH21 ARG B 405 7.595 9.735 3.548 1.00 0.00 H new ATOM 0 HH22 ARG B 405 7.905 10.861 4.873 1.00 0.00 H new ATOM 1704 N VAL B 406 5.969 13.856 -3.447 1.00 0.00 N ATOM 1705 CA VAL B 406 7.303 13.972 -4.001 1.00 0.00 C ATOM 1706 C VAL B 406 8.337 14.238 -2.919 1.00 0.00 C ATOM 1707 O VAL B 406 8.034 14.841 -1.880 1.00 0.00 O ATOM 1708 CB VAL B 406 7.366 15.068 -5.058 1.00 0.00 C ATOM 1709 CG1 VAL B 406 6.649 14.593 -6.303 1.00 0.00 C ATOM 1710 CG2 VAL B 406 6.751 16.347 -4.524 1.00 0.00 C ATOM 0 H VAL B 406 5.296 14.530 -3.812 1.00 0.00 H new ATOM 0 HA VAL B 406 7.537 13.017 -4.471 1.00 0.00 H new ATOM 0 HB VAL B 406 8.405 15.282 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL B 406 6.689 15.371 -7.065 1.00 0.00 H new ATOM 0 HG12 VAL B 406 7.132 13.691 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL B 406 5.609 14.374 -6.062 1.00 0.00 H new ATOM 0 HG21 VAL B 406 6.802 17.122 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL B 406 5.709 16.167 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL B 406 7.299 16.673 -3.640 1.00 0.00 H new ATOM 1720 N GLY B 407 9.554 13.766 -3.176 1.00 0.00 N ATOM 1721 CA GLY B 407 10.647 13.919 -2.240 1.00 0.00 C ATOM 1722 C GLY B 407 10.869 15.345 -1.784 1.00 0.00 C ATOM 1723 O GLY B 407 11.550 15.581 -0.786 1.00 0.00 O ATOM 0 H GLY B 407 9.802 13.272 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY B 407 10.455 13.295 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY B 407 11.562 13.549 -2.702 1.00 0.00 H new ATOM 1727 N ASP B 408 10.292 16.300 -2.502 1.00 0.00 N ATOM 1728 CA ASP B 408 10.436 17.704 -2.144 1.00 0.00 C ATOM 1729 C ASP B 408 9.667 18.012 -0.862 1.00 0.00 C ATOM 1730 O ASP B 408 9.699 19.136 -0.363 1.00 0.00 O ATOM 1731 CB ASP B 408 9.939 18.597 -3.280 1.00 0.00 C ATOM 1732 CG ASP B 408 11.076 19.201 -4.080 1.00 0.00 C ATOM 1733 OD1 ASP B 408 12.065 18.483 -4.340 1.00 0.00 O ATOM 1734 OD2 ASP B 408 10.978 20.391 -4.446 1.00 0.00 O ATOM 0 H ASP B 408 9.723 16.129 -3.331 1.00 0.00 H new ATOM 0 HA ASP B 408 11.493 17.907 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP B 408 9.301 18.014 -3.944 1.00 0.00 H new ATOM 0 HB3 ASP B 408 9.324 19.397 -2.867 1.00 0.00 H new ATOM 1739 N GLY B 409 8.970 17.005 -0.339 1.00 0.00 N ATOM 1740 CA GLY B 409 8.199 17.186 0.870 1.00 0.00 C ATOM 1741 C GLY B 409 6.812 17.705 0.573 1.00 0.00 C ATOM 1742 O GLY B 409 6.310 18.588 1.267 1.00 0.00 O ATOM 0 H GLY B 409 8.929 16.066 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY B 409 8.127 16.237 1.402 1.00 0.00 H new ATOM 0 HA3 GLY B 409 8.715 17.883 1.530 1.00 0.00 H new ATOM 1746 N THR B 410 6.191 17.162 -0.471 1.00 0.00 N ATOM 1747 CA THR B 410 4.852 17.595 -0.856 1.00 0.00 C ATOM 1748 C THR B 410 3.984 16.424 -1.298 1.00 0.00 C ATOM 1749 O THR B 410 4.347 15.687 -2.211 1.00 0.00 O ATOM 1750 CB THR B 410 4.909 18.630 -1.998 1.00 0.00 C ATOM 1751 OG1 THR B 410 5.450 19.877 -1.546 1.00 0.00 O ATOM 1752 CG2 THR B 410 3.523 18.886 -2.570 1.00 0.00 C ATOM 0 H THR B 410 6.588 16.430 -1.059 1.00 0.00 H new ATOM 0 HA THR B 410 4.408 18.050 0.029 1.00 0.00 H new ATOM 0 HB THR B 410 5.556 18.213 -2.769 1.00 0.00 H new ATOM 0 HG1 THR B 410 5.475 20.512 -2.292 1.00 0.00 H new ATOM 0 HG21 THR B 410 3.591 19.619 -3.374 1.00 0.00 H new ATOM 0 HG22 THR B 410 3.114 17.955 -2.962 1.00 0.00 H new ATOM 0 HG23 THR B 410 2.870 19.267 -1.785 1.00 0.00 H new ATOM 1760 N VAL B 411 2.817 16.282 -0.667 1.00 0.00 N ATOM 1761 CA VAL B 411 1.871 15.226 -1.014 1.00 0.00 C ATOM 1762 C VAL B 411 0.962 15.705 -2.130 1.00 0.00 C ATOM 1763 O VAL B 411 0.141 16.597 -1.926 1.00 0.00 O ATOM 1764 CB VAL B 411 0.990 14.823 0.183 1.00 0.00 C ATOM 1765 CG1 VAL B 411 -0.140 13.909 -0.273 1.00 0.00 C ATOM 1766 CG2 VAL B 411 1.820 14.145 1.258 1.00 0.00 C ATOM 0 H VAL B 411 2.505 16.890 0.091 1.00 0.00 H new ATOM 0 HA VAL B 411 2.454 14.359 -1.325 1.00 0.00 H new ATOM 0 HB VAL B 411 0.555 15.728 0.608 1.00 0.00 H new ATOM 0 HG11 VAL B 411 -0.753 13.633 0.585 1.00 0.00 H new ATOM 0 HG12 VAL B 411 -0.755 14.429 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL B 411 0.279 13.009 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL B 411 1.177 13.869 2.094 1.00 0.00 H new ATOM 0 HG22 VAL B 411 2.286 13.249 0.847 1.00 0.00 H new ATOM 0 HG23 VAL B 411 2.594 14.829 1.606 1.00 0.00 H new ATOM 1776 N LEU B 412 1.090 15.109 -3.304 1.00 0.00 N ATOM 1777 CA LEU B 412 0.248 15.496 -4.416 1.00 0.00 C ATOM 1778 C LEU B 412 -1.186 15.092 -4.127 1.00 0.00 C ATOM 1779 O LEU B 412 -2.121 15.840 -4.408 1.00 0.00 O ATOM 1780 CB LEU B 412 0.731 14.864 -5.720 1.00 0.00 C ATOM 1781 CG LEU B 412 2.097 15.354 -6.203 1.00 0.00 C ATOM 1782 CD1 LEU B 412 2.310 16.805 -5.799 1.00 0.00 C ATOM 1783 CD2 LEU B 412 3.207 14.475 -5.645 1.00 0.00 C ATOM 0 H LEU B 412 1.759 14.367 -3.507 1.00 0.00 H new ATOM 0 HA LEU B 412 0.302 16.578 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU B 412 0.774 13.783 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU B 412 -0.006 15.062 -6.498 1.00 0.00 H new ATOM 0 HG LEU B 412 2.124 15.290 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU B 412 3.286 17.141 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU B 412 1.532 17.425 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU B 412 2.265 16.891 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU B 412 4.172 14.838 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU B 412 3.184 14.508 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU B 412 3.061 13.448 -5.980 1.00 0.00 H new ATOM 1795 N GLY B 413 -1.355 13.899 -3.559 1.00 0.00 N ATOM 1796 CA GLY B 413 -2.686 13.424 -3.240 1.00 0.00 C ATOM 1797 C GLY B 413 -2.672 12.077 -2.544 1.00 0.00 C ATOM 1798 O GLY B 413 -1.733 11.755 -1.814 1.00 0.00 O ATOM 0 H GLY B 413 -0.598 13.259 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY B 413 -3.185 14.153 -2.602 1.00 0.00 H new ATOM 0 HA3 GLY B 413 -3.271 13.349 -4.157 1.00 0.00 H new ATOM 1802 N THR B 414 -3.718 11.291 -2.771 1.00 0.00 N ATOM 1803 CA THR B 414 -3.835 9.969 -2.161 1.00 0.00 C ATOM 1804 C THR B 414 -4.648 9.029 -3.049 1.00 0.00 C ATOM 1805 O THR B 414 -5.201 9.446 -4.065 1.00 0.00 O ATOM 1806 CB THR B 414 -4.504 10.051 -0.775 1.00 0.00 C ATOM 1807 OG1 THR B 414 -4.862 11.400 -0.449 1.00 0.00 O ATOM 1808 CG2 THR B 414 -3.579 9.525 0.312 1.00 0.00 C ATOM 0 H THR B 414 -4.500 11.546 -3.374 1.00 0.00 H new ATOM 0 HA THR B 414 -2.824 9.578 -2.047 1.00 0.00 H new ATOM 0 HB THR B 414 -5.403 9.436 -0.823 1.00 0.00 H new ATOM 0 HG1 THR B 414 -5.286 11.422 0.434 1.00 0.00 H new ATOM 0 HG21 THR B 414 -4.077 9.595 1.279 1.00 0.00 H new ATOM 0 HG22 THR B 414 -3.331 8.484 0.106 1.00 0.00 H new ATOM 0 HG23 THR B 414 -2.665 10.119 0.331 1.00 0.00 H new ATOM 1816 N GLY B 415 -4.721 7.757 -2.662 1.00 0.00 N ATOM 1817 CA GLY B 415 -5.475 6.796 -3.449 1.00 0.00 C ATOM 1818 C GLY B 415 -5.819 5.536 -2.678 1.00 0.00 C ATOM 1819 O GLY B 415 -4.936 4.843 -2.183 1.00 0.00 O ATOM 0 H GLY B 415 -4.276 7.378 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY B 415 -6.395 7.264 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY B 415 -4.898 6.527 -4.334 1.00 0.00 H new ATOM 1823 N VAL B 416 -7.106 5.230 -2.587 1.00 0.00 N ATOM 1824 CA VAL B 416 -7.559 4.040 -1.881 1.00 0.00 C ATOM 1825 C VAL B 416 -8.458 3.196 -2.775 1.00 0.00 C ATOM 1826 O VAL B 416 -9.161 3.722 -3.640 1.00 0.00 O ATOM 1827 CB VAL B 416 -8.326 4.395 -0.593 1.00 0.00 C ATOM 1828 CG1 VAL B 416 -9.716 4.916 -0.928 1.00 0.00 C ATOM 1829 CG2 VAL B 416 -8.409 3.187 0.332 1.00 0.00 C ATOM 0 H VAL B 416 -7.855 5.790 -2.994 1.00 0.00 H new ATOM 0 HA VAL B 416 -6.668 3.474 -1.611 1.00 0.00 H new ATOM 0 HB VAL B 416 -7.782 5.183 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL B 416 -10.244 5.162 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL B 416 -9.630 5.809 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL B 416 -10.270 4.150 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL B 416 -8.954 3.458 1.236 1.00 0.00 H new ATOM 0 HG22 VAL B 416 -8.929 2.375 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL B 416 -7.403 2.863 0.598 1.00 0.00 H new ATOM 1839 N GLY B 417 -8.434 1.888 -2.564 1.00 0.00 N ATOM 1840 CA GLY B 417 -9.251 0.993 -3.358 1.00 0.00 C ATOM 1841 C GLY B 417 -9.387 -0.374 -2.715 1.00 0.00 C ATOM 1842 O GLY B 417 -8.561 -0.749 -1.890 1.00 0.00 O ATOM 0 H GLY B 417 -7.862 1.429 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -10.240 1.430 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -8.812 0.885 -4.350 1.00 0.00 H new ATOM 1846 N ARG B 418 -10.434 -1.112 -3.084 1.00 0.00 N ATOM 1847 CA ARG B 418 -10.681 -2.442 -2.518 1.00 0.00 C ATOM 1848 C ARG B 418 -9.566 -3.432 -2.853 1.00 0.00 C ATOM 1849 O ARG B 418 -9.134 -4.203 -1.998 1.00 0.00 O ATOM 1850 CB ARG B 418 -12.023 -2.991 -3.006 1.00 0.00 C ATOM 1851 CG ARG B 418 -12.206 -2.920 -4.514 1.00 0.00 C ATOM 1852 CD ARG B 418 -13.664 -2.687 -4.885 1.00 0.00 C ATOM 1853 NE ARG B 418 -13.820 -2.302 -6.284 1.00 0.00 N ATOM 1854 CZ ARG B 418 -14.970 -1.888 -6.813 1.00 0.00 C ATOM 1855 NH1 ARG B 418 -16.058 -1.805 -6.060 1.00 0.00 N ATOM 1856 NH2 ARG B 418 -15.032 -1.558 -8.095 1.00 0.00 N ATOM 0 H ARG B 418 -11.125 -0.813 -3.772 1.00 0.00 H new ATOM 0 HA ARG B 418 -10.705 -2.325 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG B 418 -12.118 -4.029 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG B 418 -12.828 -2.435 -2.526 1.00 0.00 H new ATOM 0 HG2 ARG B 418 -11.593 -2.115 -4.919 1.00 0.00 H new ATOM 0 HG3 ARG B 418 -11.857 -3.847 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG B 418 -14.236 -3.595 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG B 418 -14.080 -1.908 -4.246 1.00 0.00 H new ATOM 0 HE ARG B 418 -13.002 -2.353 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG B 418 -16.016 -2.059 -5.073 1.00 0.00 H new ATOM 0 HH12 ARG B 418 -16.937 -1.488 -6.468 1.00 0.00 H new ATOM 0 HH21 ARG B 418 -14.198 -1.621 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG B 418 -15.914 -1.241 -8.498 1.00 0.00 H new ATOM 1870 N ASN B 419 -9.096 -3.401 -4.094 1.00 0.00 N ATOM 1871 CA ASN B 419 -8.027 -4.284 -4.532 1.00 0.00 C ATOM 1872 C ASN B 419 -6.705 -3.528 -4.566 1.00 0.00 C ATOM 1873 O ASN B 419 -5.812 -3.859 -5.340 1.00 0.00 O ATOM 1874 CB ASN B 419 -8.363 -4.873 -5.907 1.00 0.00 C ATOM 1875 CG ASN B 419 -7.737 -4.119 -7.067 1.00 0.00 C ATOM 1876 OD1 ASN B 419 -6.600 -4.384 -7.455 1.00 0.00 O ATOM 1877 ND2 ASN B 419 -8.487 -3.182 -7.635 1.00 0.00 N ATOM 0 H ASN B 419 -9.442 -2.770 -4.817 1.00 0.00 H new ATOM 0 HA ASN B 419 -7.928 -5.107 -3.825 1.00 0.00 H new ATOM 0 HB2 ASN B 419 -8.030 -5.910 -5.938 1.00 0.00 H new ATOM 0 HB3 ASN B 419 -9.446 -4.882 -6.033 1.00 0.00 H new ATOM 0 HD21 ASN B 419 -8.125 -2.649 -8.426 1.00 0.00 H new ATOM 0 HD22 ASN B 419 -9.425 -2.995 -7.281 1.00 0.00 H new ATOM 1884 N ILE B 420 -6.599 -2.543 -3.676 1.00 0.00 N ATOM 1885 CA ILE B 420 -5.405 -1.703 -3.504 1.00 0.00 C ATOM 1886 C ILE B 420 -4.820 -1.118 -4.798 1.00 0.00 C ATOM 1887 O ILE B 420 -4.459 0.057 -4.818 1.00 0.00 O ATOM 1888 CB ILE B 420 -4.302 -2.441 -2.729 1.00 0.00 C ATOM 1889 CG1 ILE B 420 -3.374 -3.215 -3.671 1.00 0.00 C ATOM 1890 CG2 ILE B 420 -4.929 -3.378 -1.709 1.00 0.00 C ATOM 1891 CD1 ILE B 420 -2.227 -2.386 -4.210 1.00 0.00 C ATOM 0 H ILE B 420 -7.356 -2.297 -3.038 1.00 0.00 H new ATOM 0 HA ILE B 420 -5.768 -0.853 -2.927 1.00 0.00 H new ATOM 0 HB ILE B 420 -3.695 -1.699 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE B 420 -2.970 -4.078 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE B 420 -3.958 -3.599 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE B 420 -4.143 -3.899 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE B 420 -5.536 -2.802 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE B 420 -5.558 -4.106 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE B 420 -1.613 -3.000 -4.869 1.00 0.00 H new ATOM 0 HD12 ILE B 420 -2.622 -1.537 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE B 420 -1.619 -2.023 -3.381 1.00 0.00 H new ATOM 1903 N LYS B 421 -4.705 -1.901 -5.868 1.00 0.00 N ATOM 1904 CA LYS B 421 -4.149 -1.370 -7.099 1.00 0.00 C ATOM 1905 C LYS B 421 -4.843 -0.059 -7.413 1.00 0.00 C ATOM 1906 O LYS B 421 -4.193 0.949 -7.684 1.00 0.00 O ATOM 1907 CB LYS B 421 -4.289 -2.374 -8.247 1.00 0.00 C ATOM 1908 CG LYS B 421 -4.566 -1.743 -9.598 1.00 0.00 C ATOM 1909 CD LYS B 421 -5.997 -1.257 -9.690 1.00 0.00 C ATOM 1910 CE LYS B 421 -6.569 -1.475 -11.082 1.00 0.00 C ATOM 1911 NZ LYS B 421 -8.052 -1.348 -11.103 1.00 0.00 N ATOM 0 H LYS B 421 -4.983 -2.882 -5.905 1.00 0.00 H new ATOM 0 HA LYS B 421 -3.081 -1.190 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS B 421 -3.373 -2.961 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS B 421 -5.096 -3.068 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS B 421 -3.884 -0.908 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS B 421 -4.374 -2.469 -10.388 1.00 0.00 H new ATOM 0 HD2 LYS B 421 -6.609 -1.783 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS B 421 -6.040 -0.197 -9.439 1.00 0.00 H new ATOM 0 HE2 LYS B 421 -6.134 -0.750 -11.770 1.00 0.00 H new ATOM 0 HE3 LYS B 421 -6.285 -2.465 -11.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 421 -8.400 -1.504 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 421 -8.470 -2.056 -10.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 421 -8.323 -0.395 -10.787 1.00 0.00 H new ATOM 1925 N ILE B 422 -6.169 -0.065 -7.327 1.00 0.00 N ATOM 1926 CA ILE B 422 -6.921 1.157 -7.557 1.00 0.00 C ATOM 1927 C ILE B 422 -6.289 2.237 -6.722 1.00 0.00 C ATOM 1928 O ILE B 422 -6.159 3.374 -7.149 1.00 0.00 O ATOM 1929 CB ILE B 422 -8.408 1.064 -7.161 1.00 0.00 C ATOM 1930 CG1 ILE B 422 -8.842 -0.384 -6.984 1.00 0.00 C ATOM 1931 CG2 ILE B 422 -9.272 1.770 -8.189 1.00 0.00 C ATOM 1932 CD1 ILE B 422 -8.401 -0.966 -5.663 1.00 0.00 C ATOM 0 H ILE B 422 -6.733 -0.885 -7.104 1.00 0.00 H new ATOM 0 HA ILE B 422 -6.891 1.359 -8.628 1.00 0.00 H new ATOM 0 HB ILE B 422 -8.537 1.564 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE B 422 -9.928 -0.446 -7.059 1.00 0.00 H new ATOM 0 HG13 ILE B 422 -8.432 -0.984 -7.796 1.00 0.00 H new ATOM 0 HG21 ILE B 422 -10.319 1.696 -7.896 1.00 0.00 H new ATOM 0 HG22 ILE B 422 -8.984 2.820 -8.247 1.00 0.00 H new ATOM 0 HG23 ILE B 422 -9.134 1.302 -9.164 1.00 0.00 H new ATOM 0 HD11 ILE B 422 -8.738 -2.000 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE B 422 -7.314 -0.933 -5.596 1.00 0.00 H new ATOM 0 HD13 ILE B 422 -8.833 -0.386 -4.848 1.00 0.00 H new ATOM 1944 N ALA B 423 -5.872 1.846 -5.524 1.00 0.00 N ATOM 1945 CA ALA B 423 -5.217 2.763 -4.614 1.00 0.00 C ATOM 1946 C ALA B 423 -3.925 3.269 -5.240 1.00 0.00 C ATOM 1947 O ALA B 423 -3.665 4.471 -5.266 1.00 0.00 O ATOM 1948 CB ALA B 423 -4.941 2.091 -3.280 1.00 0.00 C ATOM 0 H ALA B 423 -5.978 0.897 -5.164 1.00 0.00 H new ATOM 0 HA ALA B 423 -5.877 3.611 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -4.449 2.797 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -5.881 1.765 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -4.295 1.227 -3.435 1.00 0.00 H new ATOM 1954 N GLY B 424 -3.122 2.342 -5.762 1.00 0.00 N ATOM 1955 CA GLY B 424 -1.879 2.726 -6.399 1.00 0.00 C ATOM 1956 C GLY B 424 -2.127 3.585 -7.623 1.00 0.00 C ATOM 1957 O GLY B 424 -1.777 4.771 -7.648 1.00 0.00 O ATOM 0 H GLY B 424 -3.311 1.340 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -1.258 3.272 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -1.324 1.833 -6.686 1.00 0.00 H new ATOM 1961 N ILE B 425 -2.755 2.993 -8.636 1.00 0.00 N ATOM 1962 CA ILE B 425 -3.070 3.722 -9.856 1.00 0.00 C ATOM 1963 C ILE B 425 -3.771 5.033 -9.514 1.00 0.00 C ATOM 1964 O ILE B 425 -3.604 6.038 -10.205 1.00 0.00 O ATOM 1965 CB ILE B 425 -3.964 2.889 -10.800 1.00 0.00 C ATOM 1966 CG1 ILE B 425 -3.143 1.788 -11.472 1.00 0.00 C ATOM 1967 CG2 ILE B 425 -4.618 3.778 -11.850 1.00 0.00 C ATOM 1968 CD1 ILE B 425 -2.117 1.157 -10.556 1.00 0.00 C ATOM 0 H ILE B 425 -3.053 2.017 -8.634 1.00 0.00 H new ATOM 0 HA ILE B 425 -2.132 3.928 -10.371 1.00 0.00 H new ATOM 0 HB ILE B 425 -4.752 2.426 -10.206 1.00 0.00 H new ATOM 0 HG12 ILE B 425 -3.818 1.014 -11.837 1.00 0.00 H new ATOM 0 HG13 ILE B 425 -2.635 2.204 -12.342 1.00 0.00 H new ATOM 0 HG21 ILE B 425 -5.243 3.170 -12.504 1.00 0.00 H new ATOM 0 HG22 ILE B 425 -5.233 4.531 -11.357 1.00 0.00 H new ATOM 0 HG23 ILE B 425 -3.846 4.271 -12.441 1.00 0.00 H new ATOM 0 HD11 ILE B 425 -1.571 0.385 -11.098 1.00 0.00 H new ATOM 0 HD12 ILE B 425 -1.419 1.920 -10.211 1.00 0.00 H new ATOM 0 HD13 ILE B 425 -2.620 0.711 -9.698 1.00 0.00 H new ATOM 1980 N ARG B 426 -4.548 5.014 -8.436 1.00 0.00 N ATOM 1981 CA ARG B 426 -5.266 6.201 -7.993 1.00 0.00 C ATOM 1982 C ARG B 426 -4.277 7.271 -7.551 1.00 0.00 C ATOM 1983 O ARG B 426 -4.375 8.427 -7.964 1.00 0.00 O ATOM 1984 CB ARG B 426 -6.229 5.862 -6.853 1.00 0.00 C ATOM 1985 CG ARG B 426 -6.824 7.081 -6.173 1.00 0.00 C ATOM 1986 CD ARG B 426 -7.647 7.909 -7.146 1.00 0.00 C ATOM 1987 NE ARG B 426 -8.340 9.009 -6.483 1.00 0.00 N ATOM 1988 CZ ARG B 426 -8.735 10.116 -7.107 1.00 0.00 C ATOM 1989 NH1 ARG B 426 -8.475 10.280 -8.398 1.00 0.00 N ATOM 1990 NH2 ARG B 426 -9.384 11.060 -6.441 1.00 0.00 N ATOM 0 H ARG B 426 -4.696 4.189 -7.854 1.00 0.00 H new ATOM 0 HA ARG B 426 -5.853 6.583 -8.829 1.00 0.00 H new ATOM 0 HB2 ARG B 426 -7.038 5.244 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG B 426 -5.702 5.264 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG B 426 -7.452 6.765 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG B 426 -6.025 7.694 -5.756 1.00 0.00 H new ATOM 0 HD2 ARG B 426 -6.995 8.308 -7.923 1.00 0.00 H new ATOM 0 HD3 ARG B 426 -8.376 7.267 -7.640 1.00 0.00 H new ATOM 0 HE ARG B 426 -8.532 8.925 -5.485 1.00 0.00 H new ATOM 0 HH11 ARG B 426 -7.972 9.557 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG B 426 -8.778 11.129 -8.875 1.00 0.00 H new ATOM 0 HH21 ARG B 426 -9.582 10.939 -5.448 1.00 0.00 H new ATOM 0 HH22 ARG B 426 -9.686 11.908 -6.922 1.00 0.00 H new ATOM 2004 N ALA B 427 -3.308 6.877 -6.726 1.00 0.00 N ATOM 2005 CA ALA B 427 -2.297 7.811 -6.261 1.00 0.00 C ATOM 2006 C ALA B 427 -1.731 8.574 -7.447 1.00 0.00 C ATOM 2007 O ALA B 427 -1.537 9.789 -7.386 1.00 0.00 O ATOM 2008 CB ALA B 427 -1.192 7.092 -5.510 1.00 0.00 C ATOM 0 H ALA B 427 -3.206 5.926 -6.372 1.00 0.00 H new ATOM 0 HA ALA B 427 -2.760 8.514 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA B 427 -0.450 7.816 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA B 427 -1.614 6.578 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA B 427 -0.717 6.365 -6.169 1.00 0.00 H new ATOM 2014 N ALA B 428 -1.491 7.852 -8.537 1.00 0.00 N ATOM 2015 CA ALA B 428 -0.974 8.465 -9.751 1.00 0.00 C ATOM 2016 C ALA B 428 -1.926 9.559 -10.220 1.00 0.00 C ATOM 2017 O ALA B 428 -1.554 10.731 -10.305 1.00 0.00 O ATOM 2018 CB ALA B 428 -0.774 7.428 -10.848 1.00 0.00 C ATOM 0 H ALA B 428 -1.646 6.846 -8.603 1.00 0.00 H new ATOM 0 HA ALA B 428 -0.002 8.905 -9.529 1.00 0.00 H new ATOM 0 HB1 ALA B 428 -0.387 7.915 -11.743 1.00 0.00 H new ATOM 0 HB2 ALA B 428 -0.064 6.673 -10.510 1.00 0.00 H new ATOM 0 HB3 ALA B 428 -1.728 6.952 -11.077 1.00 0.00 H new ATOM 2024 N GLU B 429 -3.167 9.170 -10.508 1.00 0.00 N ATOM 2025 CA GLU B 429 -4.179 10.120 -10.949 1.00 0.00 C ATOM 2026 C GLU B 429 -4.201 11.327 -10.020 1.00 0.00 C ATOM 2027 O GLU B 429 -4.460 12.451 -10.448 1.00 0.00 O ATOM 2028 CB GLU B 429 -5.558 9.456 -10.975 1.00 0.00 C ATOM 2029 CG GLU B 429 -5.690 8.366 -12.025 1.00 0.00 C ATOM 2030 CD GLU B 429 -6.270 8.880 -13.327 1.00 0.00 C ATOM 2031 OE1 GLU B 429 -7.084 9.826 -13.282 1.00 0.00 O ATOM 2032 OE2 GLU B 429 -5.911 8.336 -14.393 1.00 0.00 O ATOM 0 H GLU B 429 -3.492 8.205 -10.443 1.00 0.00 H new ATOM 0 HA GLU B 429 -3.931 10.451 -11.958 1.00 0.00 H new ATOM 0 HB2 GLU B 429 -5.765 9.030 -9.993 1.00 0.00 H new ATOM 0 HB3 GLU B 429 -6.315 10.218 -11.158 1.00 0.00 H new ATOM 0 HG2 GLU B 429 -4.710 7.929 -12.215 1.00 0.00 H new ATOM 0 HG3 GLU B 429 -6.325 7.569 -11.638 1.00 0.00 H new ATOM 2039 N ASN B 430 -3.917 11.083 -8.745 1.00 0.00 N ATOM 2040 CA ASN B 430 -3.890 12.147 -7.753 1.00 0.00 C ATOM 2041 C ASN B 430 -2.769 13.128 -8.062 1.00 0.00 C ATOM 2042 O ASN B 430 -2.929 14.339 -7.910 1.00 0.00 O ATOM 2043 CB ASN B 430 -3.712 11.569 -6.352 1.00 0.00 C ATOM 2044 CG ASN B 430 -5.028 11.482 -5.605 1.00 0.00 C ATOM 2045 OD1 ASN B 430 -5.236 12.173 -4.608 1.00 0.00 O ATOM 2046 ND2 ASN B 430 -5.925 10.631 -6.089 1.00 0.00 N ATOM 0 H ASN B 430 -3.702 10.157 -8.376 1.00 0.00 H new ATOM 0 HA ASN B 430 -4.842 12.677 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -3.268 10.576 -6.423 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -3.015 12.190 -5.789 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -6.831 10.530 -5.631 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -5.708 10.079 -6.919 1.00 0.00 H new ATOM 2053 N ALA B 431 -1.630 12.596 -8.502 1.00 0.00 N ATOM 2054 CA ALA B 431 -0.487 13.428 -8.839 1.00 0.00 C ATOM 2055 C ALA B 431 -0.838 14.360 -9.987 1.00 0.00 C ATOM 2056 O ALA B 431 -0.485 15.539 -9.979 1.00 0.00 O ATOM 2057 CB ALA B 431 0.726 12.582 -9.191 1.00 0.00 C ATOM 0 H ALA B 431 -1.479 11.596 -8.632 1.00 0.00 H new ATOM 0 HA ALA B 431 -0.233 14.026 -7.964 1.00 0.00 H new ATOM 0 HB1 ALA B 431 1.564 13.233 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA B 431 0.992 11.955 -8.340 1.00 0.00 H new ATOM 0 HB3 ALA B 431 0.493 11.950 -10.048 1.00 0.00 H new ATOM 2063 N LEU B 432 -1.548 13.820 -10.970 1.00 0.00 N ATOM 2064 CA LEU B 432 -1.965 14.598 -12.125 1.00 0.00 C ATOM 2065 C LEU B 432 -3.294 15.297 -11.856 1.00 0.00 C ATOM 2066 O LEU B 432 -3.823 15.997 -12.719 1.00 0.00 O ATOM 2067 CB LEU B 432 -2.083 13.697 -13.355 1.00 0.00 C ATOM 2068 CG LEU B 432 -2.766 12.350 -13.114 1.00 0.00 C ATOM 2069 CD1 LEU B 432 -3.845 12.099 -14.157 1.00 0.00 C ATOM 2070 CD2 LEU B 432 -1.741 11.227 -13.127 1.00 0.00 C ATOM 0 H LEU B 432 -1.846 12.845 -10.988 1.00 0.00 H new ATOM 0 HA LEU B 432 -1.209 15.360 -12.315 1.00 0.00 H new ATOM 0 HB2 LEU B 432 -2.636 14.233 -14.126 1.00 0.00 H new ATOM 0 HB3 LEU B 432 -1.083 13.514 -13.748 1.00 0.00 H new ATOM 0 HG LEU B 432 -3.240 12.376 -12.133 1.00 0.00 H new ATOM 0 HD11 LEU B 432 -4.318 11.136 -13.967 1.00 0.00 H new ATOM 0 HD12 LEU B 432 -4.595 12.888 -14.102 1.00 0.00 H new ATOM 0 HD13 LEU B 432 -3.396 12.093 -15.150 1.00 0.00 H new ATOM 0 HD21 LEU B 432 -2.242 10.275 -12.954 1.00 0.00 H new ATOM 0 HD22 LEU B 432 -1.240 11.203 -14.095 1.00 0.00 H new ATOM 0 HD23 LEU B 432 -1.005 11.397 -12.341 1.00 0.00 H new ATOM 2082 N ARG B 433 -3.833 15.098 -10.655 1.00 0.00 N ATOM 2083 CA ARG B 433 -5.104 15.708 -10.278 1.00 0.00 C ATOM 2084 C ARG B 433 -4.888 17.091 -9.676 1.00 0.00 C ATOM 2085 O ARG B 433 -5.775 17.641 -9.024 1.00 0.00 O ATOM 2086 CB ARG B 433 -5.846 14.818 -9.279 1.00 0.00 C ATOM 2087 CG ARG B 433 -7.282 15.247 -9.032 1.00 0.00 C ATOM 2088 CD ARG B 433 -7.988 14.303 -8.074 1.00 0.00 C ATOM 2089 NE ARG B 433 -9.189 14.904 -7.497 1.00 0.00 N ATOM 2090 CZ ARG B 433 -9.174 15.698 -6.432 1.00 0.00 C ATOM 2091 NH1 ARG B 433 -8.027 15.984 -5.832 1.00 0.00 N ATOM 2092 NH2 ARG B 433 -10.308 16.207 -5.968 1.00 0.00 N ATOM 0 H ARG B 433 -3.410 14.520 -9.929 1.00 0.00 H new ATOM 0 HA ARG B 433 -5.707 15.813 -11.180 1.00 0.00 H new ATOM 0 HB2 ARG B 433 -5.840 13.792 -9.646 1.00 0.00 H new ATOM 0 HB3 ARG B 433 -5.307 14.821 -8.332 1.00 0.00 H new ATOM 0 HG2 ARG B 433 -7.296 16.258 -8.625 1.00 0.00 H new ATOM 0 HG3 ARG B 433 -7.822 15.277 -9.979 1.00 0.00 H new ATOM 0 HD2 ARG B 433 -8.258 13.388 -8.601 1.00 0.00 H new ATOM 0 HD3 ARG B 433 -7.304 14.020 -7.274 1.00 0.00 H new ATOM 0 HE ARG B 433 -10.087 14.703 -7.936 1.00 0.00 H new ATOM 0 HH11 ARG B 433 -7.154 15.594 -6.188 1.00 0.00 H new ATOM 0 HH12 ARG B 433 -8.017 16.594 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG B 433 -11.191 15.989 -6.429 1.00 0.00 H new ATOM 0 HH22 ARG B 433 -10.296 16.817 -5.150 1.00 0.00 H new ATOM 2106 N ASP B 434 -3.703 17.647 -9.894 1.00 0.00 N ATOM 2107 CA ASP B 434 -3.373 18.965 -9.370 1.00 0.00 C ATOM 2108 C ASP B 434 -2.820 19.867 -10.463 1.00 0.00 C ATOM 2109 O ASP B 434 -1.616 20.108 -10.533 1.00 0.00 O ATOM 2110 CB ASP B 434 -2.356 18.843 -8.237 1.00 0.00 C ATOM 2111 CG ASP B 434 -3.001 18.443 -6.926 1.00 0.00 C ATOM 2112 OD1 ASP B 434 -4.099 17.851 -6.961 1.00 0.00 O ATOM 2113 OD2 ASP B 434 -2.407 18.723 -5.862 1.00 0.00 O ATOM 0 H ASP B 434 -2.955 17.206 -10.430 1.00 0.00 H new ATOM 0 HA ASP B 434 -4.290 19.413 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -1.601 18.105 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -1.841 19.795 -8.110 1.00 0.00 H new ATOM 2118 N LYS B 435 -3.707 20.374 -11.310 1.00 0.00 N ATOM 2119 CA LYS B 435 -3.298 21.259 -12.391 1.00 0.00 C ATOM 2120 C LYS B 435 -2.438 22.389 -11.838 1.00 0.00 C ATOM 2121 O LYS B 435 -1.526 22.878 -12.504 1.00 0.00 O ATOM 2122 CB LYS B 435 -4.524 21.827 -13.113 1.00 0.00 C ATOM 2123 CG LYS B 435 -4.989 23.170 -12.570 1.00 0.00 C ATOM 2124 CD LYS B 435 -6.494 23.336 -12.695 1.00 0.00 C ATOM 2125 CE LYS B 435 -6.856 24.411 -13.707 1.00 0.00 C ATOM 2126 NZ LYS B 435 -6.584 23.972 -15.103 1.00 0.00 N ATOM 0 H LYS B 435 -4.709 20.188 -11.269 1.00 0.00 H new ATOM 0 HA LYS B 435 -2.712 20.687 -13.110 1.00 0.00 H new ATOM 0 HB2 LYS B 435 -4.292 21.935 -14.173 1.00 0.00 H new ATOM 0 HB3 LYS B 435 -5.343 21.112 -13.037 1.00 0.00 H new ATOM 0 HG2 LYS B 435 -4.699 23.260 -11.523 1.00 0.00 H new ATOM 0 HG3 LYS B 435 -4.488 23.974 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS B 435 -6.942 22.388 -12.994 1.00 0.00 H new ATOM 0 HD3 LYS B 435 -6.914 23.594 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS B 435 -7.911 24.665 -13.605 1.00 0.00 H new ATOM 0 HE3 LYS B 435 -6.288 25.317 -13.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 435 -6.844 24.733 -15.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 435 -5.573 23.754 -15.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 435 -7.145 23.123 -15.315 1.00 0.00 H new ATOM 2140 N LYS B 436 -2.737 22.791 -10.607 1.00 0.00 N ATOM 2141 CA LYS B 436 -1.991 23.857 -9.953 1.00 0.00 C ATOM 2142 C LYS B 436 -0.584 23.380 -9.615 1.00 0.00 C ATOM 2143 O LYS B 436 0.391 24.105 -9.812 1.00 0.00 O ATOM 2144 CB LYS B 436 -2.707 24.324 -8.678 1.00 0.00 C ATOM 2145 CG LYS B 436 -4.190 23.981 -8.637 1.00 0.00 C ATOM 2146 CD LYS B 436 -5.008 25.104 -8.014 1.00 0.00 C ATOM 2147 CE LYS B 436 -4.401 25.585 -6.705 1.00 0.00 C ATOM 2148 NZ LYS B 436 -4.350 27.071 -6.631 1.00 0.00 N ATOM 0 H LYS B 436 -3.490 22.395 -10.044 1.00 0.00 H new ATOM 0 HA LYS B 436 -1.928 24.701 -10.640 1.00 0.00 H new ATOM 0 HB2 LYS B 436 -2.217 23.875 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS B 436 -2.592 25.404 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS B 436 -4.547 23.788 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS B 436 -4.336 23.064 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS B 436 -5.072 25.938 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS B 436 -6.026 24.757 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS B 436 -4.986 25.200 -5.870 1.00 0.00 H new ATOM 0 HE3 LYS B 436 -3.394 25.181 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 436 -3.930 27.359 -5.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 436 -3.771 27.438 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 436 -5.314 27.455 -6.704 1.00 0.00 H new ATOM 2162 N MET B 437 -0.488 22.150 -9.119 1.00 0.00 N ATOM 2163 CA MET B 437 0.801 21.566 -8.769 1.00 0.00 C ATOM 2164 C MET B 437 1.529 21.119 -10.027 1.00 0.00 C ATOM 2165 O MET B 437 2.720 21.376 -10.192 1.00 0.00 O ATOM 2166 CB MET B 437 0.620 20.382 -7.821 1.00 0.00 C ATOM 2167 CG MET B 437 1.935 19.769 -7.364 1.00 0.00 C ATOM 2168 SD MET B 437 2.640 18.637 -8.580 1.00 0.00 S ATOM 2169 CE MET B 437 1.290 17.479 -8.789 1.00 0.00 C ATOM 0 H MET B 437 -1.287 21.539 -8.951 1.00 0.00 H new ATOM 0 HA MET B 437 1.396 22.325 -8.262 1.00 0.00 H new ATOM 0 HB2 MET B 437 0.056 20.708 -6.947 1.00 0.00 H new ATOM 0 HB3 MET B 437 0.024 19.616 -8.317 1.00 0.00 H new ATOM 0 HG2 MET B 437 2.650 20.566 -7.159 1.00 0.00 H new ATOM 0 HG3 MET B 437 1.775 19.235 -6.427 1.00 0.00 H new ATOM 0 HE1 MET B 437 1.691 16.482 -8.972 1.00 0.00 H new ATOM 0 HE2 MET B 437 0.680 17.464 -7.886 1.00 0.00 H new ATOM 0 HE3 MET B 437 0.676 17.785 -9.636 1.00 0.00 H new ATOM 2179 N LEU B 438 0.801 20.461 -10.923 1.00 0.00 N ATOM 2180 CA LEU B 438 1.383 20.001 -12.175 1.00 0.00 C ATOM 2181 C LEU B 438 2.065 21.166 -12.874 1.00 0.00 C ATOM 2182 O LEU B 438 3.289 21.207 -12.988 1.00 0.00 O ATOM 2183 CB LEU B 438 0.305 19.406 -13.081 1.00 0.00 C ATOM 2184 CG LEU B 438 -0.217 18.034 -12.657 1.00 0.00 C ATOM 2185 CD1 LEU B 438 -1.465 17.673 -13.445 1.00 0.00 C ATOM 2186 CD2 LEU B 438 0.857 16.976 -12.844 1.00 0.00 C ATOM 0 H LEU B 438 -0.187 20.236 -10.805 1.00 0.00 H new ATOM 0 HA LEU B 438 2.118 19.225 -11.960 1.00 0.00 H new ATOM 0 HB2 LEU B 438 -0.535 20.099 -13.123 1.00 0.00 H new ATOM 0 HB3 LEU B 438 0.705 19.328 -14.092 1.00 0.00 H new ATOM 0 HG LEU B 438 -0.478 18.076 -11.600 1.00 0.00 H new ATOM 0 HD11 LEU B 438 -1.823 16.693 -13.130 1.00 0.00 H new ATOM 0 HD12 LEU B 438 -2.239 18.418 -13.262 1.00 0.00 H new ATOM 0 HD13 LEU B 438 -1.229 17.649 -14.509 1.00 0.00 H new ATOM 0 HD21 LEU B 438 0.468 16.005 -12.537 1.00 0.00 H new ATOM 0 HD22 LEU B 438 1.149 16.935 -13.893 1.00 0.00 H new ATOM 0 HD23 LEU B 438 1.726 17.228 -12.236 1.00 0.00 H new ATOM 2198 N ASP B 439 1.261 22.122 -13.326 1.00 0.00 N ATOM 2199 CA ASP B 439 1.782 23.301 -13.998 1.00 0.00 C ATOM 2200 C ASP B 439 2.838 23.963 -13.126 1.00 0.00 C ATOM 2201 O ASP B 439 3.902 24.370 -13.606 1.00 0.00 O ATOM 2202 CB ASP B 439 0.646 24.283 -14.294 1.00 0.00 C ATOM 2203 CG ASP B 439 1.079 25.410 -15.213 1.00 0.00 C ATOM 2204 OD1 ASP B 439 1.819 25.134 -16.181 1.00 0.00 O ATOM 2205 OD2 ASP B 439 0.678 26.566 -14.964 1.00 0.00 O ATOM 0 H ASP B 439 0.245 22.101 -13.238 1.00 0.00 H new ATOM 0 HA ASP B 439 2.238 23.003 -14.942 1.00 0.00 H new ATOM 0 HB2 ASP B 439 -0.185 23.745 -14.750 1.00 0.00 H new ATOM 0 HB3 ASP B 439 0.279 24.703 -13.357 1.00 0.00 H new ATOM 2210 N PHE B 440 2.547 24.046 -11.831 1.00 0.00 N ATOM 2211 CA PHE B 440 3.481 24.633 -10.887 1.00 0.00 C ATOM 2212 C PHE B 440 4.824 23.938 -11.026 1.00 0.00 C ATOM 2213 O PHE B 440 5.881 24.546 -10.850 1.00 0.00 O ATOM 2214 CB PHE B 440 2.954 24.502 -9.454 1.00 0.00 C ATOM 2215 CG PHE B 440 4.033 24.453 -8.409 1.00 0.00 C ATOM 2216 CD1 PHE B 440 4.905 25.516 -8.242 1.00 0.00 C ATOM 2217 CD2 PHE B 440 4.174 23.340 -7.595 1.00 0.00 C ATOM 2218 CE1 PHE B 440 5.899 25.472 -7.282 1.00 0.00 C ATOM 2219 CE2 PHE B 440 5.167 23.290 -6.632 1.00 0.00 C ATOM 2220 CZ PHE B 440 6.030 24.357 -6.476 1.00 0.00 C ATOM 0 H PHE B 440 1.676 23.715 -11.417 1.00 0.00 H new ATOM 0 HA PHE B 440 3.596 25.695 -11.104 1.00 0.00 H new ATOM 0 HB2 PHE B 440 2.295 25.344 -9.242 1.00 0.00 H new ATOM 0 HB3 PHE B 440 2.350 23.598 -9.381 1.00 0.00 H new ATOM 0 HD1 PHE B 440 4.807 26.390 -8.869 1.00 0.00 H new ATOM 0 HD2 PHE B 440 3.502 22.503 -7.713 1.00 0.00 H new ATOM 0 HE1 PHE B 440 6.572 26.308 -7.162 1.00 0.00 H new ATOM 0 HE2 PHE B 440 5.267 22.418 -6.003 1.00 0.00 H new ATOM 0 HZ PHE B 440 6.806 24.320 -5.726 1.00 0.00 H new ATOM 2230 N TYR B 441 4.769 22.653 -11.361 1.00 0.00 N ATOM 2231 CA TYR B 441 5.970 21.864 -11.543 1.00 0.00 C ATOM 2232 C TYR B 441 6.583 22.156 -12.900 1.00 0.00 C ATOM 2233 O TYR B 441 7.797 22.113 -13.060 1.00 0.00 O ATOM 2234 CB TYR B 441 5.669 20.375 -11.387 1.00 0.00 C ATOM 2235 CG TYR B 441 5.712 19.930 -9.948 1.00 0.00 C ATOM 2236 CD1 TYR B 441 5.093 20.682 -8.962 1.00 0.00 C ATOM 2237 CD2 TYR B 441 6.377 18.772 -9.571 1.00 0.00 C ATOM 2238 CE1 TYR B 441 5.132 20.298 -7.641 1.00 0.00 C ATOM 2239 CE2 TYR B 441 6.422 18.378 -8.248 1.00 0.00 C ATOM 2240 CZ TYR B 441 5.798 19.144 -7.286 1.00 0.00 C ATOM 2241 OH TYR B 441 5.840 18.757 -5.967 1.00 0.00 O ATOM 0 H TYR B 441 3.900 22.140 -11.511 1.00 0.00 H new ATOM 0 HA TYR B 441 6.690 22.139 -10.772 1.00 0.00 H new ATOM 0 HB2 TYR B 441 4.684 20.160 -11.802 1.00 0.00 H new ATOM 0 HB3 TYR B 441 6.391 19.798 -11.965 1.00 0.00 H new ATOM 0 HD1 TYR B 441 4.570 21.587 -9.236 1.00 0.00 H new ATOM 0 HD2 TYR B 441 6.866 18.170 -10.323 1.00 0.00 H new ATOM 0 HE1 TYR B 441 4.644 20.897 -6.887 1.00 0.00 H new ATOM 0 HE2 TYR B 441 6.943 17.474 -7.968 1.00 0.00 H new ATOM 0 HH TYR B 441 6.653 19.109 -5.548 1.00 0.00 H new ATOM 2251 N ALA B 442 5.740 22.494 -13.867 1.00 0.00 N ATOM 2252 CA ALA B 442 6.233 22.839 -15.189 1.00 0.00 C ATOM 2253 C ALA B 442 7.288 23.919 -15.021 1.00 0.00 C ATOM 2254 O ALA B 442 8.337 23.905 -15.672 1.00 0.00 O ATOM 2255 CB ALA B 442 5.112 23.311 -16.103 1.00 0.00 C ATOM 0 H ALA B 442 4.726 22.536 -13.762 1.00 0.00 H new ATOM 0 HA ALA B 442 6.663 21.956 -15.662 1.00 0.00 H new ATOM 0 HB1 ALA B 442 5.521 23.560 -17.082 1.00 0.00 H new ATOM 0 HB2 ALA B 442 4.371 22.518 -16.210 1.00 0.00 H new ATOM 0 HB3 ALA B 442 4.639 24.194 -15.673 1.00 0.00 H new ATOM 2261 N LYS B 443 7.008 24.836 -14.098 1.00 0.00 N ATOM 2262 CA LYS B 443 7.937 25.913 -13.782 1.00 0.00 C ATOM 2263 C LYS B 443 9.100 25.352 -12.973 1.00 0.00 C ATOM 2264 O LYS B 443 10.259 25.694 -13.207 1.00 0.00 O ATOM 2265 CB LYS B 443 7.245 27.032 -12.992 1.00 0.00 C ATOM 2266 CG LYS B 443 5.727 26.957 -13.004 1.00 0.00 C ATOM 2267 CD LYS B 443 5.105 28.157 -12.307 1.00 0.00 C ATOM 2268 CE LYS B 443 5.791 29.454 -12.706 1.00 0.00 C ATOM 2269 NZ LYS B 443 4.865 30.618 -12.626 1.00 0.00 N ATOM 0 H LYS B 443 6.144 24.853 -13.556 1.00 0.00 H new ATOM 0 HA LYS B 443 8.304 26.339 -14.716 1.00 0.00 H new ATOM 0 HB2 LYS B 443 7.591 26.999 -11.959 1.00 0.00 H new ATOM 0 HB3 LYS B 443 7.553 27.994 -13.401 1.00 0.00 H new ATOM 0 HG2 LYS B 443 5.372 26.908 -14.033 1.00 0.00 H new ATOM 0 HG3 LYS B 443 5.403 26.040 -12.511 1.00 0.00 H new ATOM 0 HD2 LYS B 443 4.045 28.214 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS B 443 5.172 28.026 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS B 443 6.648 29.627 -12.055 1.00 0.00 H new ATOM 0 HE3 LYS B 443 6.175 29.364 -13.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 443 5.370 31.483 -12.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 443 4.059 30.465 -13.266 1.00 0.00 H new ATOM 0 HZ3 LYS B 443 4.518 30.719 -11.651 1.00 0.00 H new ATOM 2283 N GLN B 444 8.774 24.474 -12.024 1.00 0.00 N ATOM 2284 CA GLN B 444 9.783 23.844 -11.181 1.00 0.00 C ATOM 2285 C GLN B 444 10.725 22.987 -12.027 1.00 0.00 C ATOM 2286 O GLN B 444 11.787 22.570 -11.566 1.00 0.00 O ATOM 2287 CB GLN B 444 9.108 22.993 -10.088 1.00 0.00 C ATOM 2288 CG GLN B 444 9.022 21.507 -10.407 1.00 0.00 C ATOM 2289 CD GLN B 444 10.059 20.704 -9.656 1.00 0.00 C ATOM 2290 OE1 GLN B 444 9.858 19.525 -9.363 1.00 0.00 O ATOM 2291 NE2 GLN B 444 11.177 21.344 -9.336 1.00 0.00 N ATOM 0 H GLN B 444 7.817 24.185 -11.822 1.00 0.00 H new ATOM 0 HA GLN B 444 10.372 24.624 -10.697 1.00 0.00 H new ATOM 0 HB2 GLN B 444 9.658 23.120 -9.155 1.00 0.00 H new ATOM 0 HB3 GLN B 444 8.101 23.374 -9.919 1.00 0.00 H new ATOM 0 HG2 GLN B 444 8.027 21.139 -10.155 1.00 0.00 H new ATOM 0 HG3 GLN B 444 9.155 21.358 -11.479 1.00 0.00 H new ATOM 0 HE21 GLN B 444 11.299 22.322 -9.600 1.00 0.00 H new ATOM 0 HE22 GLN B 444 11.915 20.858 -8.826 1.00 0.00 H new ATOM 2300 N ARG B 445 10.320 22.729 -13.269 1.00 0.00 N ATOM 2301 CA ARG B 445 11.111 21.924 -14.190 1.00 0.00 C ATOM 2302 C ARG B 445 12.056 22.803 -14.996 1.00 0.00 C ATOM 2303 O ARG B 445 13.238 22.496 -15.138 1.00 0.00 O ATOM 2304 CB ARG B 445 10.193 21.146 -15.136 1.00 0.00 C ATOM 2305 CG ARG B 445 10.505 19.661 -15.206 1.00 0.00 C ATOM 2306 CD ARG B 445 11.830 19.405 -15.908 1.00 0.00 C ATOM 2307 NE ARG B 445 11.645 18.947 -17.283 1.00 0.00 N ATOM 2308 CZ ARG B 445 10.942 17.869 -17.615 1.00 0.00 C ATOM 2309 NH1 ARG B 445 10.357 17.135 -16.677 1.00 0.00 N ATOM 2310 NH2 ARG B 445 10.821 17.524 -18.889 1.00 0.00 N ATOM 0 H ARG B 445 9.442 23.070 -13.660 1.00 0.00 H new ATOM 0 HA ARG B 445 11.702 21.219 -13.606 1.00 0.00 H new ATOM 0 HB2 ARG B 445 9.160 21.276 -14.814 1.00 0.00 H new ATOM 0 HB3 ARG B 445 10.271 21.572 -16.136 1.00 0.00 H new ATOM 0 HG2 ARG B 445 10.539 19.247 -14.198 1.00 0.00 H new ATOM 0 HG3 ARG B 445 9.705 19.144 -15.736 1.00 0.00 H new ATOM 0 HD2 ARG B 445 12.422 20.320 -15.908 1.00 0.00 H new ATOM 0 HD3 ARG B 445 12.396 18.659 -15.351 1.00 0.00 H new ATOM 0 HE ARG B 445 12.081 19.486 -18.032 1.00 0.00 H new ATOM 0 HH11 ARG B 445 10.446 17.397 -15.695 1.00 0.00 H new ATOM 0 HH12 ARG B 445 9.819 16.309 -16.938 1.00 0.00 H new ATOM 0 HH21 ARG B 445 11.267 18.086 -19.614 1.00 0.00 H new ATOM 0 HH22 ARG B 445 10.282 16.697 -19.144 1.00 0.00 H new