USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=15 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 169:sc= -0.126! USER MOD Set 1.2: B 444 GLN : amide:sc= -1.28 K(o=-1.4,f=-6.2!) USER MOD Set 2.1: B 368 MET CE :methyl -173:sc= -4.92! (180deg=-1.46) USER MOD Set 2.2: B 369 ASN : amide:sc= -4.19! C(o=-9.1!,f=-12!) USER MOD Single : B 371 LYS NZ :NH3+ 154:sc= -0.358 (180deg=-1.84!) USER MOD Single : B 373 GLN : amide:sc= -4.21 K(o=-4.2,f=-1.6) USER MOD Single : B 375 TYR OH : rot 180:sc= 0 USER MOD Single : B 376 SER OG : rot -113:sc= -0.891! USER MOD Single : B 382 SER OG : rot 180:sc= 0 USER MOD Single : B 386 HIS : no HD1:sc= -0.768 K(o=-0.77,f=-0.075) USER MOD Single : B 387 TYR OH : rot -5:sc= -8.02! USER MOD Single : B 389 THR OG1 : rot 180:sc= 0 USER MOD Single : B 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 394 THR OG1 : rot 180:sc= -0.016 USER MOD Single : B 399 ASN : amide:sc= -2.28 K(o=-2.3,f=-4.5) USER MOD Single : B 400 SER OG : rot -170:sc= -0.11 USER MOD Single : B 404 CYS SG : rot -134:sc= -4.54! USER MOD Single : B 410 THR OG1 : rot 180:sc= 0 USER MOD Single : B 414 THR OG1 : rot 180:sc= -3.49! USER MOD Single : B 419 ASN : amide:sc= -3.63! C(o=-3.6!,f=-5!) USER MOD Single : B 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= 0.867 K(o=0.87,f=-5.7!) 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 165:sc= -5.22! (180deg=-5.7!) USER MOD Single : B 441 TYR OH : rot 180:sc= -0.27 USER MOD Single : B 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1069 N ASP B 367 -4.833 4.143 -16.216 1.00 0.00 N ATOM 1070 CA ASP B 367 -3.522 3.927 -15.613 1.00 0.00 C ATOM 1071 C ASP B 367 -2.454 4.676 -16.405 1.00 0.00 C ATOM 1072 O ASP B 367 -1.880 5.657 -15.926 1.00 0.00 O ATOM 1073 CB ASP B 367 -3.192 2.434 -15.570 1.00 0.00 C ATOM 1074 CG ASP B 367 -3.909 1.654 -16.654 1.00 0.00 C ATOM 1075 OD1 ASP B 367 -5.045 1.199 -16.407 1.00 0.00 O ATOM 1076 OD2 ASP B 367 -3.333 1.496 -17.752 1.00 0.00 O ATOM 0 HA ASP B 367 -3.541 4.308 -14.592 1.00 0.00 H new ATOM 0 HB2 ASP B 367 -2.116 2.299 -15.680 1.00 0.00 H new ATOM 0 HB3 ASP B 367 -3.466 2.032 -14.595 1.00 0.00 H new ATOM 1081 N MET B 368 -2.199 4.205 -17.622 1.00 0.00 N ATOM 1082 CA MET B 368 -1.210 4.826 -18.493 1.00 0.00 C ATOM 1083 C MET B 368 -1.216 6.340 -18.318 1.00 0.00 C ATOM 1084 O MET B 368 -0.249 6.922 -17.825 1.00 0.00 O ATOM 1085 CB MET B 368 -1.493 4.470 -19.954 1.00 0.00 C ATOM 1086 CG MET B 368 -2.920 4.007 -20.200 1.00 0.00 C ATOM 1087 SD MET B 368 -3.582 4.599 -21.767 1.00 0.00 S ATOM 1088 CE MET B 368 -3.857 6.329 -21.390 1.00 0.00 C ATOM 0 H MET B 368 -2.665 3.393 -18.027 1.00 0.00 H new ATOM 0 HA MET B 368 -0.226 4.447 -18.218 1.00 0.00 H new ATOM 0 HB2 MET B 368 -1.289 5.340 -20.578 1.00 0.00 H new ATOM 0 HB3 MET B 368 -0.805 3.685 -20.268 1.00 0.00 H new ATOM 0 HG2 MET B 368 -2.952 2.918 -20.185 1.00 0.00 H new ATOM 0 HG3 MET B 368 -3.556 4.356 -19.386 1.00 0.00 H new ATOM 0 HE1 MET B 368 -4.380 6.804 -22.220 1.00 0.00 H new ATOM 0 HE2 MET B 368 -4.460 6.413 -20.486 1.00 0.00 H new ATOM 0 HE3 MET B 368 -2.899 6.824 -21.235 1.00 0.00 H new ATOM 1098 N ASN B 369 -2.314 6.976 -18.720 1.00 0.00 N ATOM 1099 CA ASN B 369 -2.443 8.423 -18.600 1.00 0.00 C ATOM 1100 C ASN B 369 -1.818 8.908 -17.299 1.00 0.00 C ATOM 1101 O ASN B 369 -1.025 9.850 -17.293 1.00 0.00 O ATOM 1102 CB ASN B 369 -3.913 8.836 -18.663 1.00 0.00 C ATOM 1103 CG ASN B 369 -4.418 8.947 -20.089 1.00 0.00 C ATOM 1104 OD1 ASN B 369 -5.436 8.357 -20.446 1.00 0.00 O ATOM 1105 ND2 ASN B 369 -3.702 9.705 -20.911 1.00 0.00 N ATOM 0 H ASN B 369 -3.124 6.512 -19.130 1.00 0.00 H new ATOM 0 HA ASN B 369 -1.915 8.884 -19.434 1.00 0.00 H new ATOM 0 HB2 ASN B 369 -4.517 8.107 -18.122 1.00 0.00 H new ATOM 0 HB3 ASN B 369 -4.041 9.794 -18.159 1.00 0.00 H new ATOM 0 HD21 ASN B 369 -3.990 9.816 -21.883 1.00 0.00 H new ATOM 0 HD22 ASN B 369 -2.864 10.176 -20.570 1.00 0.00 H new ATOM 1112 N ALA B 370 -2.170 8.253 -16.198 1.00 0.00 N ATOM 1113 CA ALA B 370 -1.628 8.617 -14.897 1.00 0.00 C ATOM 1114 C ALA B 370 -0.114 8.471 -14.898 1.00 0.00 C ATOM 1115 O ALA B 370 0.608 9.456 -15.055 1.00 0.00 O ATOM 1116 CB ALA B 370 -2.240 7.776 -13.788 1.00 0.00 C ATOM 0 H ALA B 370 -2.825 7.471 -16.181 1.00 0.00 H new ATOM 0 HA ALA B 370 -1.884 9.659 -14.706 1.00 0.00 H new ATOM 0 HB1 ALA B 370 -1.814 8.072 -12.829 1.00 0.00 H new ATOM 0 HB2 ALA B 370 -3.319 7.929 -13.769 1.00 0.00 H new ATOM 0 HB3 ALA B 370 -2.026 6.723 -13.970 1.00 0.00 H new ATOM 1122 N LYS B 371 0.363 7.238 -14.725 1.00 0.00 N ATOM 1123 CA LYS B 371 1.799 6.968 -14.712 1.00 0.00 C ATOM 1124 C LYS B 371 2.533 7.907 -15.662 1.00 0.00 C ATOM 1125 O LYS B 371 3.609 8.418 -15.344 1.00 0.00 O ATOM 1126 CB LYS B 371 2.075 5.511 -15.095 1.00 0.00 C ATOM 1127 CG LYS B 371 1.025 4.901 -16.015 1.00 0.00 C ATOM 1128 CD LYS B 371 0.425 3.639 -15.415 1.00 0.00 C ATOM 1129 CE LYS B 371 0.256 2.548 -16.461 1.00 0.00 C ATOM 1130 NZ LYS B 371 1.489 2.364 -17.276 1.00 0.00 N ATOM 0 H LYS B 371 -0.223 6.414 -14.592 1.00 0.00 H new ATOM 0 HA LYS B 371 2.167 7.140 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS B 371 3.048 5.453 -15.583 1.00 0.00 H new ATOM 0 HB3 LYS B 371 2.138 4.913 -14.186 1.00 0.00 H new ATOM 0 HG2 LYS B 371 0.235 5.629 -16.200 1.00 0.00 H new ATOM 0 HG3 LYS B 371 1.476 4.668 -16.980 1.00 0.00 H new ATOM 0 HD2 LYS B 371 1.066 3.277 -14.611 1.00 0.00 H new ATOM 0 HD3 LYS B 371 -0.543 3.871 -14.971 1.00 0.00 H new ATOM 0 HE2 LYS B 371 0.003 1.609 -15.969 1.00 0.00 H new ATOM 0 HE3 LYS B 371 -0.578 2.799 -17.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 1.520 1.392 -17.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 1.483 3.035 -18.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 2.326 2.537 -16.683 1.00 0.00 H new ATOM 1144 N ARG B 372 1.931 8.145 -16.823 1.00 0.00 N ATOM 1145 CA ARG B 372 2.513 9.036 -17.815 1.00 0.00 C ATOM 1146 C ARG B 372 2.744 10.415 -17.209 1.00 0.00 C ATOM 1147 O ARG B 372 3.870 10.899 -17.152 1.00 0.00 O ATOM 1148 CB ARG B 372 1.592 9.144 -19.034 1.00 0.00 C ATOM 1149 CG ARG B 372 2.325 9.071 -20.369 1.00 0.00 C ATOM 1150 CD ARG B 372 2.667 10.449 -20.931 1.00 0.00 C ATOM 1151 NE ARG B 372 1.953 11.533 -20.260 1.00 0.00 N ATOM 1152 CZ ARG B 372 0.669 11.811 -20.471 1.00 0.00 C ATOM 1153 NH1 ARG B 372 -0.043 11.070 -21.311 1.00 0.00 N ATOM 1154 NH2 ARG B 372 0.095 12.826 -19.838 1.00 0.00 N ATOM 0 H ARG B 372 1.040 7.732 -17.098 1.00 0.00 H new ATOM 0 HA ARG B 372 3.471 8.627 -18.135 1.00 0.00 H new ATOM 0 HB2 ARG B 372 0.854 8.343 -18.992 1.00 0.00 H new ATOM 0 HB3 ARG B 372 1.045 10.085 -18.982 1.00 0.00 H new ATOM 0 HG2 ARG B 372 3.243 8.497 -20.244 1.00 0.00 H new ATOM 0 HG3 ARG B 372 1.708 8.533 -21.088 1.00 0.00 H new ATOM 0 HD2 ARG B 372 3.740 10.617 -20.839 1.00 0.00 H new ATOM 0 HD3 ARG B 372 2.431 10.470 -21.995 1.00 0.00 H new ATOM 0 HE ARG B 372 2.467 12.108 -19.593 1.00 0.00 H new ATOM 0 HH11 ARG B 372 0.394 10.286 -21.796 1.00 0.00 H new ATOM 0 HH12 ARG B 372 -1.027 11.284 -21.472 1.00 0.00 H new ATOM 0 HH21 ARG B 372 0.638 13.395 -19.188 1.00 0.00 H new ATOM 0 HH22 ARG B 372 -0.889 13.038 -20.001 1.00 0.00 H new ATOM 1168 N GLN B 373 1.669 11.038 -16.746 1.00 0.00 N ATOM 1169 CA GLN B 373 1.755 12.360 -16.134 1.00 0.00 C ATOM 1170 C GLN B 373 2.882 12.421 -15.108 1.00 0.00 C ATOM 1171 O GLN B 373 3.691 13.348 -15.105 1.00 0.00 O ATOM 1172 CB GLN B 373 0.429 12.709 -15.448 1.00 0.00 C ATOM 1173 CG GLN B 373 -0.163 14.031 -15.905 1.00 0.00 C ATOM 1174 CD GLN B 373 0.840 15.167 -15.857 1.00 0.00 C ATOM 1175 OE1 GLN B 373 0.789 16.091 -16.669 1.00 0.00 O ATOM 1176 NE2 GLN B 373 1.763 15.102 -14.903 1.00 0.00 N ATOM 0 H GLN B 373 0.726 10.650 -16.782 1.00 0.00 H new ATOM 0 HA GLN B 373 1.964 13.080 -16.925 1.00 0.00 H new ATOM 0 HB2 GLN B 373 -0.290 11.913 -15.640 1.00 0.00 H new ATOM 0 HB3 GLN B 373 0.586 12.744 -14.370 1.00 0.00 H new ATOM 0 HG2 GLN B 373 -0.537 13.925 -16.923 1.00 0.00 H new ATOM 0 HG3 GLN B 373 -1.018 14.279 -15.276 1.00 0.00 H new ATOM 0 HE21 GLN B 373 1.768 14.318 -14.251 1.00 0.00 H new ATOM 0 HE22 GLN B 373 2.466 15.836 -14.823 1.00 0.00 H new ATOM 1185 N LEU B 374 2.904 11.441 -14.220 1.00 0.00 N ATOM 1186 CA LEU B 374 3.900 11.388 -13.157 1.00 0.00 C ATOM 1187 C LEU B 374 5.330 11.512 -13.671 1.00 0.00 C ATOM 1188 O LEU B 374 6.002 12.510 -13.415 1.00 0.00 O ATOM 1189 CB LEU B 374 3.761 10.090 -12.360 1.00 0.00 C ATOM 1190 CG LEU B 374 2.344 9.525 -12.273 1.00 0.00 C ATOM 1191 CD1 LEU B 374 2.290 8.382 -11.270 1.00 0.00 C ATOM 1192 CD2 LEU B 374 1.361 10.621 -11.892 1.00 0.00 C ATOM 0 H LEU B 374 2.241 10.666 -14.213 1.00 0.00 H new ATOM 0 HA LEU B 374 3.707 12.248 -12.516 1.00 0.00 H new ATOM 0 HB2 LEU B 374 4.408 9.336 -12.809 1.00 0.00 H new ATOM 0 HB3 LEU B 374 4.128 10.263 -11.348 1.00 0.00 H new ATOM 0 HG LEU B 374 2.062 9.136 -13.251 1.00 0.00 H new ATOM 0 HD11 LEU B 374 1.274 7.990 -11.219 1.00 0.00 H new ATOM 0 HD12 LEU B 374 2.969 7.590 -11.584 1.00 0.00 H new ATOM 0 HD13 LEU B 374 2.588 8.746 -10.287 1.00 0.00 H new ATOM 0 HD21 LEU B 374 0.356 10.204 -11.834 1.00 0.00 H new ATOM 0 HD22 LEU B 374 1.638 11.037 -10.923 1.00 0.00 H new ATOM 0 HD23 LEU B 374 1.384 11.408 -12.645 1.00 0.00 H new ATOM 1204 N TYR B 375 5.810 10.479 -14.351 1.00 0.00 N ATOM 1205 CA TYR B 375 7.184 10.470 -14.844 1.00 0.00 C ATOM 1206 C TYR B 375 7.352 11.258 -16.142 1.00 0.00 C ATOM 1207 O TYR B 375 8.274 12.062 -16.273 1.00 0.00 O ATOM 1208 CB TYR B 375 7.661 9.030 -15.043 1.00 0.00 C ATOM 1209 CG TYR B 375 8.077 8.348 -13.759 1.00 0.00 C ATOM 1210 CD1 TYR B 375 7.296 8.443 -12.614 1.00 0.00 C ATOM 1211 CD2 TYR B 375 9.253 7.610 -13.691 1.00 0.00 C ATOM 1212 CE1 TYR B 375 7.674 7.822 -11.439 1.00 0.00 C ATOM 1213 CE2 TYR B 375 9.638 6.987 -12.519 1.00 0.00 C ATOM 1214 CZ TYR B 375 8.846 7.096 -11.397 1.00 0.00 C ATOM 1215 OH TYR B 375 9.226 6.477 -10.228 1.00 0.00 O ATOM 0 H TYR B 375 5.273 9.641 -14.574 1.00 0.00 H new ATOM 0 HA TYR B 375 7.795 10.963 -14.088 1.00 0.00 H new ATOM 0 HB2 TYR B 375 6.863 8.453 -15.509 1.00 0.00 H new ATOM 0 HB3 TYR B 375 8.503 9.027 -15.736 1.00 0.00 H new ATOM 0 HD1 TYR B 375 6.378 9.012 -12.643 1.00 0.00 H new ATOM 0 HD2 TYR B 375 9.876 7.522 -14.569 1.00 0.00 H new ATOM 0 HE1 TYR B 375 7.055 7.905 -10.558 1.00 0.00 H new ATOM 0 HE2 TYR B 375 10.555 6.418 -12.483 1.00 0.00 H new ATOM 0 HH TYR B 375 10.074 6.007 -10.368 1.00 0.00 H new ATOM 1225 N SER B 376 6.477 11.007 -17.104 1.00 0.00 N ATOM 1226 CA SER B 376 6.545 11.676 -18.401 1.00 0.00 C ATOM 1227 C SER B 376 6.424 13.197 -18.287 1.00 0.00 C ATOM 1228 O SER B 376 6.909 13.921 -19.157 1.00 0.00 O ATOM 1229 CB SER B 376 5.450 11.143 -19.327 1.00 0.00 C ATOM 1230 OG SER B 376 5.696 11.514 -20.672 1.00 0.00 O ATOM 0 H SER B 376 5.708 10.343 -17.014 1.00 0.00 H new ATOM 0 HA SER B 376 7.528 11.457 -18.818 1.00 0.00 H new ATOM 0 HB2 SER B 376 5.400 10.057 -19.249 1.00 0.00 H new ATOM 0 HB3 SER B 376 4.481 11.530 -19.011 1.00 0.00 H new ATOM 0 HG SER B 376 5.005 12.142 -20.970 1.00 0.00 H new ATOM 1236 N LEU B 377 5.765 13.687 -17.239 1.00 0.00 N ATOM 1237 CA LEU B 377 5.588 15.129 -17.078 1.00 0.00 C ATOM 1238 C LEU B 377 6.193 15.651 -15.778 1.00 0.00 C ATOM 1239 O LEU B 377 6.532 16.830 -15.678 1.00 0.00 O ATOM 1240 CB LEU B 377 4.101 15.483 -17.127 1.00 0.00 C ATOM 1241 CG LEU B 377 3.535 15.712 -18.530 1.00 0.00 C ATOM 1242 CD1 LEU B 377 4.266 16.849 -19.225 1.00 0.00 C ATOM 1243 CD2 LEU B 377 3.624 14.436 -19.354 1.00 0.00 C ATOM 0 H LEU B 377 5.351 13.119 -16.500 1.00 0.00 H new ATOM 0 HA LEU B 377 6.116 15.609 -17.902 1.00 0.00 H new ATOM 0 HB2 LEU B 377 3.537 14.681 -16.651 1.00 0.00 H new ATOM 0 HB3 LEU B 377 3.938 16.383 -16.535 1.00 0.00 H new ATOM 0 HG LEU B 377 2.485 15.989 -18.435 1.00 0.00 H new ATOM 0 HD11 LEU B 377 3.848 16.995 -20.221 1.00 0.00 H new ATOM 0 HD12 LEU B 377 4.150 17.764 -18.645 1.00 0.00 H new ATOM 0 HD13 LEU B 377 5.325 16.604 -19.308 1.00 0.00 H new ATOM 0 HD21 LEU B 377 3.217 14.616 -20.349 1.00 0.00 H new ATOM 0 HD22 LEU B 377 4.667 14.129 -19.438 1.00 0.00 H new ATOM 0 HD23 LEU B 377 3.052 13.647 -18.866 1.00 0.00 H new ATOM 1255 N ILE B 378 6.310 14.788 -14.779 1.00 0.00 N ATOM 1256 CA ILE B 378 6.857 15.204 -13.492 1.00 0.00 C ATOM 1257 C ILE B 378 7.903 14.223 -12.967 1.00 0.00 C ATOM 1258 O ILE B 378 7.994 13.993 -11.761 1.00 0.00 O ATOM 1259 CB ILE B 378 5.739 15.353 -12.443 1.00 0.00 C ATOM 1260 CG1 ILE B 378 4.445 15.819 -13.112 1.00 0.00 C ATOM 1261 CG2 ILE B 378 6.158 16.331 -11.355 1.00 0.00 C ATOM 1262 CD1 ILE B 378 4.537 17.204 -13.713 1.00 0.00 C ATOM 0 H ILE B 378 6.038 13.806 -14.831 1.00 0.00 H new ATOM 0 HA ILE B 378 7.339 16.167 -13.657 1.00 0.00 H new ATOM 0 HB ILE B 378 5.562 14.381 -11.982 1.00 0.00 H new ATOM 0 HG12 ILE B 378 4.175 15.110 -13.895 1.00 0.00 H new ATOM 0 HG13 ILE B 378 3.640 15.804 -12.377 1.00 0.00 H new ATOM 0 HG21 ILE B 378 5.357 16.425 -10.622 1.00 0.00 H new ATOM 0 HG22 ILE B 378 7.059 15.964 -10.863 1.00 0.00 H new ATOM 0 HG23 ILE B 378 6.359 17.306 -11.800 1.00 0.00 H new ATOM 0 HD11 ILE B 378 3.583 17.467 -14.169 1.00 0.00 H new ATOM 0 HD12 ILE B 378 4.776 17.925 -12.931 1.00 0.00 H new ATOM 0 HD13 ILE B 378 5.319 17.220 -14.472 1.00 0.00 H new ATOM 1274 N GLY B 379 8.692 13.648 -13.870 1.00 0.00 N ATOM 1275 CA GLY B 379 9.714 12.704 -13.449 1.00 0.00 C ATOM 1276 C GLY B 379 11.010 12.838 -14.222 1.00 0.00 C ATOM 1277 O GLY B 379 11.260 12.086 -15.166 1.00 0.00 O ATOM 0 H GLY B 379 8.644 13.816 -14.875 1.00 0.00 H new ATOM 0 HA2 GLY B 379 9.916 12.848 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY B 379 9.332 11.690 -13.567 1.00 0.00 H new ATOM 1281 N TYR B 380 11.847 13.782 -13.809 1.00 0.00 N ATOM 1282 CA TYR B 380 13.136 13.998 -14.452 1.00 0.00 C ATOM 1283 C TYR B 380 14.239 13.328 -13.640 1.00 0.00 C ATOM 1284 O TYR B 380 15.404 13.721 -13.704 1.00 0.00 O ATOM 1285 CB TYR B 380 13.424 15.492 -14.594 1.00 0.00 C ATOM 1286 CG TYR B 380 13.367 16.241 -13.283 1.00 0.00 C ATOM 1287 CD1 TYR B 380 14.381 16.111 -12.345 1.00 0.00 C ATOM 1288 CD2 TYR B 380 12.295 17.069 -12.981 1.00 0.00 C ATOM 1289 CE1 TYR B 380 14.330 16.785 -11.143 1.00 0.00 C ATOM 1290 CE2 TYR B 380 12.235 17.748 -11.779 1.00 0.00 C ATOM 1291 CZ TYR B 380 13.257 17.601 -10.862 1.00 0.00 C ATOM 1292 OH TYR B 380 13.206 18.273 -9.663 1.00 0.00 O ATOM 0 H TYR B 380 11.655 14.411 -13.030 1.00 0.00 H new ATOM 0 HA TYR B 380 13.106 13.557 -15.448 1.00 0.00 H new ATOM 0 HB2 TYR B 380 14.411 15.624 -15.037 1.00 0.00 H new ATOM 0 HB3 TYR B 380 12.704 15.929 -15.285 1.00 0.00 H new ATOM 0 HD1 TYR B 380 15.224 15.471 -12.560 1.00 0.00 H new ATOM 0 HD2 TYR B 380 11.495 17.185 -13.697 1.00 0.00 H new ATOM 0 HE1 TYR B 380 15.129 16.673 -10.425 1.00 0.00 H new ATOM 0 HE2 TYR B 380 11.395 18.389 -11.558 1.00 0.00 H new ATOM 0 HH TYR B 380 12.485 18.936 -9.690 1.00 0.00 H new ATOM 1302 N ALA B 381 13.851 12.312 -12.870 1.00 0.00 N ATOM 1303 CA ALA B 381 14.782 11.567 -12.029 1.00 0.00 C ATOM 1304 C ALA B 381 15.084 12.313 -10.732 1.00 0.00 C ATOM 1305 O ALA B 381 14.404 12.115 -9.725 1.00 0.00 O ATOM 1306 CB ALA B 381 16.072 11.244 -12.775 1.00 0.00 C ATOM 0 H ALA B 381 12.887 11.985 -12.813 1.00 0.00 H new ATOM 0 HA ALA B 381 14.297 10.626 -11.771 1.00 0.00 H new ATOM 0 HB1 ALA B 381 16.742 10.689 -12.119 1.00 0.00 H new ATOM 0 HB2 ALA B 381 15.843 10.641 -13.654 1.00 0.00 H new ATOM 0 HB3 ALA B 381 16.554 12.171 -13.086 1.00 0.00 H new ATOM 1312 N SER B 382 16.109 13.158 -10.760 1.00 0.00 N ATOM 1313 CA SER B 382 16.508 13.924 -9.582 1.00 0.00 C ATOM 1314 C SER B 382 15.300 14.287 -8.721 1.00 0.00 C ATOM 1315 O SER B 382 15.377 14.274 -7.492 1.00 0.00 O ATOM 1316 CB SER B 382 17.255 15.191 -10.002 1.00 0.00 C ATOM 1317 OG SER B 382 18.528 14.877 -10.541 1.00 0.00 O ATOM 0 H SER B 382 16.681 13.331 -11.587 1.00 0.00 H new ATOM 0 HA SER B 382 17.172 13.299 -8.985 1.00 0.00 H new ATOM 0 HB2 SER B 382 16.668 15.735 -10.742 1.00 0.00 H new ATOM 0 HB3 SER B 382 17.373 15.850 -9.141 1.00 0.00 H new ATOM 0 HG SER B 382 18.985 15.703 -10.803 1.00 0.00 H new ATOM 1323 N LEU B 383 14.189 14.620 -9.372 1.00 0.00 N ATOM 1324 CA LEU B 383 12.970 14.995 -8.661 1.00 0.00 C ATOM 1325 C LEU B 383 12.739 14.087 -7.457 1.00 0.00 C ATOM 1326 O LEU B 383 12.330 14.544 -6.390 1.00 0.00 O ATOM 1327 CB LEU B 383 11.761 14.943 -9.597 1.00 0.00 C ATOM 1328 CG LEU B 383 10.778 16.105 -9.441 1.00 0.00 C ATOM 1329 CD1 LEU B 383 9.710 16.054 -10.524 1.00 0.00 C ATOM 1330 CD2 LEU B 383 10.141 16.083 -8.060 1.00 0.00 C ATOM 0 H LEU B 383 14.107 14.638 -10.389 1.00 0.00 H new ATOM 0 HA LEU B 383 13.093 16.017 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU B 383 12.117 14.923 -10.627 1.00 0.00 H new ATOM 0 HB3 LEU B 383 11.227 14.008 -9.426 1.00 0.00 H new ATOM 0 HG LEU B 383 11.331 17.038 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU B 383 9.021 16.889 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU B 383 10.182 16.121 -11.504 1.00 0.00 H new ATOM 0 HD13 LEU B 383 9.161 15.115 -10.449 1.00 0.00 H new ATOM 0 HD21 LEU B 383 9.445 16.917 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU B 383 9.604 15.145 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU B 383 10.917 16.172 -7.300 1.00 0.00 H new ATOM 1342 N ARG B 384 13.016 12.800 -7.634 1.00 0.00 N ATOM 1343 CA ARG B 384 12.852 11.828 -6.559 1.00 0.00 C ATOM 1344 C ARG B 384 11.380 11.610 -6.225 1.00 0.00 C ATOM 1345 O ARG B 384 11.023 11.408 -5.065 1.00 0.00 O ATOM 1346 CB ARG B 384 13.604 12.291 -5.311 1.00 0.00 C ATOM 1347 CG ARG B 384 14.259 11.157 -4.540 1.00 0.00 C ATOM 1348 CD ARG B 384 15.423 10.558 -5.313 1.00 0.00 C ATOM 1349 NE ARG B 384 16.604 10.389 -4.474 1.00 0.00 N ATOM 1350 CZ ARG B 384 16.726 9.428 -3.564 1.00 0.00 C ATOM 1351 NH1 ARG B 384 15.745 8.553 -3.391 1.00 0.00 N ATOM 1352 NH2 ARG B 384 17.826 9.341 -2.829 1.00 0.00 N ATOM 0 H ARG B 384 13.355 12.405 -8.511 1.00 0.00 H new ATOM 0 HA ARG B 384 13.266 10.880 -6.901 1.00 0.00 H new ATOM 0 HB2 ARG B 384 14.369 13.010 -5.604 1.00 0.00 H new ATOM 0 HB3 ARG B 384 12.911 12.814 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG B 384 14.612 11.526 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG B 384 13.521 10.382 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG B 384 15.128 9.592 -5.723 1.00 0.00 H new ATOM 0 HD3 ARG B 384 15.667 11.202 -6.158 1.00 0.00 H new ATOM 0 HE ARG B 384 17.378 11.043 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG B 384 14.898 8.618 -3.956 1.00 0.00 H new ATOM 0 HH12 ARG B 384 15.837 7.815 -2.693 1.00 0.00 H new ATOM 0 HH21 ARG B 384 18.582 10.013 -2.961 1.00 0.00 H new ATOM 0 HH22 ARG B 384 17.916 8.602 -2.132 1.00 0.00 H new ATOM 1366 N LEU B 385 10.531 11.647 -7.243 1.00 0.00 N ATOM 1367 CA LEU B 385 9.102 11.445 -7.044 1.00 0.00 C ATOM 1368 C LEU B 385 8.800 9.975 -6.797 1.00 0.00 C ATOM 1369 O LEU B 385 9.160 9.115 -7.601 1.00 0.00 O ATOM 1370 CB LEU B 385 8.316 11.944 -8.254 1.00 0.00 C ATOM 1371 CG LEU B 385 6.798 11.889 -8.105 1.00 0.00 C ATOM 1372 CD1 LEU B 385 6.140 12.859 -9.071 1.00 0.00 C ATOM 1373 CD2 LEU B 385 6.288 10.473 -8.332 1.00 0.00 C ATOM 0 H LEU B 385 10.805 11.814 -8.211 1.00 0.00 H new ATOM 0 HA LEU B 385 8.796 12.017 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU B 385 8.609 12.974 -8.459 1.00 0.00 H new ATOM 0 HB3 LEU B 385 8.602 11.352 -9.123 1.00 0.00 H new ATOM 0 HG LEU B 385 6.537 12.183 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU B 385 5.057 12.810 -8.955 1.00 0.00 H new ATOM 0 HD12 LEU B 385 6.482 13.872 -8.859 1.00 0.00 H new ATOM 0 HD13 LEU B 385 6.408 12.592 -10.093 1.00 0.00 H new ATOM 0 HD21 LEU B 385 5.204 10.455 -8.221 1.00 0.00 H new ATOM 0 HD22 LEU B 385 6.556 10.147 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU B 385 6.739 9.802 -7.600 1.00 0.00 H new ATOM 1385 N HIS B 386 8.153 9.687 -5.673 1.00 0.00 N ATOM 1386 CA HIS B 386 7.829 8.307 -5.329 1.00 0.00 C ATOM 1387 C HIS B 386 6.529 8.200 -4.545 1.00 0.00 C ATOM 1388 O HIS B 386 6.170 9.087 -3.767 1.00 0.00 O ATOM 1389 CB HIS B 386 8.974 7.681 -4.528 1.00 0.00 C ATOM 1390 CG HIS B 386 9.142 8.259 -3.156 1.00 0.00 C ATOM 1391 ND1 HIS B 386 10.193 9.083 -2.810 1.00 0.00 N ATOM 1392 CD2 HIS B 386 8.392 8.123 -2.037 1.00 0.00 C ATOM 1393 CE1 HIS B 386 10.080 9.426 -1.539 1.00 0.00 C ATOM 1394 NE2 HIS B 386 8.997 8.858 -1.048 1.00 0.00 N ATOM 0 H HIS B 386 7.846 10.381 -4.992 1.00 0.00 H new ATOM 0 HA HIS B 386 7.694 7.763 -6.264 1.00 0.00 H new ATOM 0 HB2 HIS B 386 8.800 6.609 -4.441 1.00 0.00 H new ATOM 0 HB3 HIS B 386 9.904 7.809 -5.082 1.00 0.00 H new ATOM 0 HD2 HIS B 386 7.486 7.544 -1.940 1.00 0.00 H new ATOM 0 HE1 HIS B 386 10.760 10.064 -0.995 1.00 0.00 H new ATOM 0 HE2 HIS B 386 8.663 8.950 -0.089 1.00 0.00 H new ATOM 1403 N TYR B 387 5.828 7.094 -4.765 1.00 0.00 N ATOM 1404 CA TYR B 387 4.568 6.833 -4.091 1.00 0.00 C ATOM 1405 C TYR B 387 4.788 6.034 -2.822 1.00 0.00 C ATOM 1406 O TYR B 387 5.770 5.303 -2.693 1.00 0.00 O ATOM 1407 CB TYR B 387 3.627 6.058 -5.004 1.00 0.00 C ATOM 1408 CG TYR B 387 2.985 6.922 -6.045 1.00 0.00 C ATOM 1409 CD1 TYR B 387 3.755 7.756 -6.836 1.00 0.00 C ATOM 1410 CD2 TYR B 387 1.611 6.912 -6.233 1.00 0.00 C ATOM 1411 CE1 TYR B 387 3.179 8.560 -7.790 1.00 0.00 C ATOM 1412 CE2 TYR B 387 1.024 7.712 -7.185 1.00 0.00 C ATOM 1413 CZ TYR B 387 1.812 8.538 -7.964 1.00 0.00 C ATOM 1414 OH TYR B 387 1.232 9.344 -8.916 1.00 0.00 O ATOM 0 H TYR B 387 6.117 6.360 -5.411 1.00 0.00 H new ATOM 0 HA TYR B 387 4.124 7.796 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR B 387 4.181 5.258 -5.494 1.00 0.00 H new ATOM 0 HB3 TYR B 387 2.851 5.586 -4.402 1.00 0.00 H new ATOM 0 HD1 TYR B 387 4.826 7.775 -6.701 1.00 0.00 H new ATOM 0 HD2 TYR B 387 0.994 6.268 -5.624 1.00 0.00 H new ATOM 0 HE1 TYR B 387 3.794 9.205 -8.400 1.00 0.00 H new ATOM 0 HE2 TYR B 387 -0.047 7.695 -7.323 1.00 0.00 H new ATOM 0 HH TYR B 387 1.916 9.920 -9.317 1.00 0.00 H new ATOM 1424 N VAL B 388 3.854 6.164 -1.896 1.00 0.00 N ATOM 1425 CA VAL B 388 3.928 5.442 -0.644 1.00 0.00 C ATOM 1426 C VAL B 388 2.599 4.784 -0.333 1.00 0.00 C ATOM 1427 O VAL B 388 1.556 5.439 -0.298 1.00 0.00 O ATOM 1428 CB VAL B 388 4.346 6.351 0.519 1.00 0.00 C ATOM 1429 CG1 VAL B 388 5.814 6.130 0.831 1.00 0.00 C ATOM 1430 CG2 VAL B 388 4.072 7.810 0.190 1.00 0.00 C ATOM 0 H VAL B 388 3.035 6.765 -1.991 1.00 0.00 H new ATOM 0 HA VAL B 388 4.694 4.675 -0.759 1.00 0.00 H new ATOM 0 HB VAL B 388 3.756 6.097 1.400 1.00 0.00 H new ATOM 0 HG11 VAL B 388 6.112 6.776 1.657 1.00 0.00 H new ATOM 0 HG12 VAL B 388 5.974 5.088 1.109 1.00 0.00 H new ATOM 0 HG13 VAL B 388 6.413 6.367 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL B 388 4.376 8.436 1.029 1.00 0.00 H new ATOM 0 HG22 VAL B 388 4.636 8.095 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL B 388 3.007 7.947 0.003 1.00 0.00 H new ATOM 1440 N THR B 389 2.648 3.483 -0.113 1.00 0.00 N ATOM 1441 CA THR B 389 1.450 2.717 0.193 1.00 0.00 C ATOM 1442 C THR B 389 1.192 2.704 1.689 1.00 0.00 C ATOM 1443 O THR B 389 2.093 2.438 2.484 1.00 0.00 O ATOM 1444 CB THR B 389 1.559 1.270 -0.320 1.00 0.00 C ATOM 1445 OG1 THR B 389 1.377 1.204 -1.740 1.00 0.00 O ATOM 1446 CG2 THR B 389 0.521 0.372 0.341 1.00 0.00 C ATOM 0 H THR B 389 3.506 2.932 -0.140 1.00 0.00 H new ATOM 0 HA THR B 389 0.617 3.202 -0.315 1.00 0.00 H new ATOM 0 HB THR B 389 2.560 0.923 -0.065 1.00 0.00 H new ATOM 0 HG1 THR B 389 1.453 0.273 -2.037 1.00 0.00 H new ATOM 0 HG21 THR B 389 0.622 -0.644 -0.041 1.00 0.00 H new ATOM 0 HG22 THR B 389 0.675 0.371 1.420 1.00 0.00 H new ATOM 0 HG23 THR B 389 -0.478 0.746 0.118 1.00 0.00 H new ATOM 1454 N VAL B 390 -0.042 2.996 2.066 1.00 0.00 N ATOM 1455 CA VAL B 390 -0.413 3.024 3.467 1.00 0.00 C ATOM 1456 C VAL B 390 -1.760 2.358 3.699 1.00 0.00 C ATOM 1457 O VAL B 390 -2.582 2.236 2.785 1.00 0.00 O ATOM 1458 CB VAL B 390 -0.467 4.468 3.996 1.00 0.00 C ATOM 1459 CG1 VAL B 390 0.929 5.064 4.069 1.00 0.00 C ATOM 1460 CG2 VAL B 390 -1.372 5.317 3.120 1.00 0.00 C ATOM 0 H VAL B 390 -0.801 3.216 1.421 1.00 0.00 H new ATOM 0 HA VAL B 390 0.353 2.470 4.009 1.00 0.00 H new ATOM 0 HB VAL B 390 -0.881 4.453 5.004 1.00 0.00 H new ATOM 0 HG11 VAL B 390 0.869 6.085 4.445 1.00 0.00 H new ATOM 0 HG12 VAL B 390 1.546 4.466 4.740 1.00 0.00 H new ATOM 0 HG13 VAL B 390 1.375 5.069 3.074 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -1.401 6.336 3.506 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -0.987 5.326 2.100 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.379 4.899 3.124 1.00 0.00 H new ATOM 1470 N LYS B 391 -1.982 1.934 4.932 1.00 0.00 N ATOM 1471 CA LYS B 391 -3.226 1.286 5.306 1.00 0.00 C ATOM 1472 C LYS B 391 -3.240 -0.178 4.879 1.00 0.00 C ATOM 1473 O LYS B 391 -4.048 -0.582 4.044 1.00 0.00 O ATOM 1474 CB LYS B 391 -4.404 2.025 4.681 1.00 0.00 C ATOM 1475 CG LYS B 391 -5.689 1.908 5.482 1.00 0.00 C ATOM 1476 CD LYS B 391 -6.158 0.465 5.573 1.00 0.00 C ATOM 1477 CE LYS B 391 -7.633 0.378 5.933 1.00 0.00 C ATOM 1478 NZ LYS B 391 -7.844 -0.229 7.276 1.00 0.00 N ATOM 0 H LYS B 391 -1.311 2.028 5.695 1.00 0.00 H new ATOM 0 HA LYS B 391 -3.312 1.319 6.392 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -4.146 3.079 4.575 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -4.575 1.636 3.677 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -5.531 2.305 6.485 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -6.465 2.516 5.017 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -5.985 -0.035 4.620 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -5.568 -0.063 6.322 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -8.071 1.376 5.913 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -8.155 -0.214 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -8.862 -0.270 7.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -7.450 -1.191 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -7.367 0.349 7.997 1.00 0.00 H new ATOM 1492 N LYS B 392 -2.342 -0.969 5.461 1.00 0.00 N ATOM 1493 CA LYS B 392 -2.255 -2.391 5.140 1.00 0.00 C ATOM 1494 C LYS B 392 -3.650 -2.991 4.969 1.00 0.00 C ATOM 1495 O LYS B 392 -4.354 -3.234 5.950 1.00 0.00 O ATOM 1496 CB LYS B 392 -1.497 -3.139 6.240 1.00 0.00 C ATOM 1497 CG LYS B 392 -0.159 -2.509 6.600 1.00 0.00 C ATOM 1498 CD LYS B 392 1.008 -3.315 6.050 1.00 0.00 C ATOM 1499 CE LYS B 392 2.251 -2.454 5.886 1.00 0.00 C ATOM 1500 NZ LYS B 392 3.277 -2.749 6.925 1.00 0.00 N ATOM 0 H LYS B 392 -1.666 -0.651 6.155 1.00 0.00 H new ATOM 0 HA LYS B 392 -1.712 -2.496 4.201 1.00 0.00 H new ATOM 0 HB2 LYS B 392 -2.120 -3.182 7.133 1.00 0.00 H new ATOM 0 HB3 LYS B 392 -1.329 -4.167 5.919 1.00 0.00 H new ATOM 0 HG2 LYS B 392 -0.117 -1.493 6.207 1.00 0.00 H new ATOM 0 HG3 LYS B 392 -0.071 -2.435 7.684 1.00 0.00 H new ATOM 0 HD2 LYS B 392 1.226 -4.146 6.721 1.00 0.00 H new ATOM 0 HD3 LYS B 392 0.733 -3.746 5.087 1.00 0.00 H new ATOM 0 HE2 LYS B 392 2.679 -2.620 4.897 1.00 0.00 H new ATOM 0 HE3 LYS B 392 1.972 -1.402 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 392 4.107 -2.140 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 392 2.879 -2.566 7.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 392 3.563 -3.747 6.857 1.00 0.00 H new ATOM 1514 N PRO B 393 -4.073 -3.232 3.715 1.00 0.00 N ATOM 1515 CA PRO B 393 -5.391 -3.792 3.417 1.00 0.00 C ATOM 1516 C PRO B 393 -5.743 -4.982 4.297 1.00 0.00 C ATOM 1517 O PRO B 393 -4.884 -5.555 4.968 1.00 0.00 O ATOM 1518 CB PRO B 393 -5.293 -4.238 1.954 1.00 0.00 C ATOM 1519 CG PRO B 393 -3.893 -3.948 1.511 1.00 0.00 C ATOM 1520 CD PRO B 393 -3.312 -2.967 2.490 1.00 0.00 C ATOM 0 HA PRO B 393 -6.173 -3.056 3.601 1.00 0.00 H new ATOM 0 HB2 PRO B 393 -5.518 -5.300 1.857 1.00 0.00 H new ATOM 0 HB3 PRO B 393 -6.014 -3.702 1.336 1.00 0.00 H new ATOM 0 HG2 PRO B 393 -3.300 -4.862 1.485 1.00 0.00 H new ATOM 0 HG3 PRO B 393 -3.886 -3.535 0.502 1.00 0.00 H new ATOM 0 HD2 PRO B 393 -2.244 -3.127 2.636 1.00 0.00 H new ATOM 0 HD3 PRO B 393 -3.437 -1.938 2.152 1.00 0.00 H new ATOM 1528 N THR B 394 -7.021 -5.342 4.287 1.00 0.00 N ATOM 1529 CA THR B 394 -7.500 -6.464 5.088 1.00 0.00 C ATOM 1530 C THR B 394 -8.215 -7.503 4.231 1.00 0.00 C ATOM 1531 O THR B 394 -8.635 -7.219 3.110 1.00 0.00 O ATOM 1532 CB THR B 394 -8.459 -5.997 6.199 1.00 0.00 C ATOM 1533 OG1 THR B 394 -9.341 -4.970 5.730 1.00 0.00 O ATOM 1534 CG2 THR B 394 -7.689 -5.463 7.395 1.00 0.00 C ATOM 0 H THR B 394 -7.742 -4.876 3.736 1.00 0.00 H new ATOM 0 HA THR B 394 -6.617 -6.916 5.539 1.00 0.00 H new ATOM 0 HB THR B 394 -9.044 -6.867 6.497 1.00 0.00 H new ATOM 0 HG1 THR B 394 -9.939 -4.695 6.456 1.00 0.00 H new ATOM 0 HG21 THR B 394 -8.390 -5.140 8.165 1.00 0.00 H new ATOM 0 HG22 THR B 394 -7.048 -6.248 7.795 1.00 0.00 H new ATOM 0 HG23 THR B 394 -7.076 -4.617 7.085 1.00 0.00 H new ATOM 1542 N ALA B 395 -8.361 -8.707 4.780 1.00 0.00 N ATOM 1543 CA ALA B 395 -9.038 -9.792 4.083 1.00 0.00 C ATOM 1544 C ALA B 395 -10.543 -9.712 4.305 1.00 0.00 C ATOM 1545 O ALA B 395 -11.281 -10.643 3.981 1.00 0.00 O ATOM 1546 CB ALA B 395 -8.517 -11.142 4.538 1.00 0.00 C ATOM 0 H ALA B 395 -8.018 -8.954 5.708 1.00 0.00 H new ATOM 0 HA ALA B 395 -8.831 -9.685 3.018 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -9.040 -11.934 4.001 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -7.449 -11.208 4.332 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -8.687 -11.256 5.609 1.00 0.00 H new ATOM 1552 N VAL B 396 -10.989 -8.582 4.840 1.00 0.00 N ATOM 1553 CA VAL B 396 -12.402 -8.348 5.090 1.00 0.00 C ATOM 1554 C VAL B 396 -12.760 -6.899 4.779 1.00 0.00 C ATOM 1555 O VAL B 396 -13.853 -6.429 5.095 1.00 0.00 O ATOM 1556 CB VAL B 396 -12.781 -8.667 6.549 1.00 0.00 C ATOM 1557 CG1 VAL B 396 -12.407 -10.100 6.899 1.00 0.00 C ATOM 1558 CG2 VAL B 396 -12.107 -7.689 7.498 1.00 0.00 C ATOM 0 H VAL B 396 -10.383 -7.807 5.111 1.00 0.00 H new ATOM 0 HA VAL B 396 -12.964 -9.015 4.436 1.00 0.00 H new ATOM 0 HB VAL B 396 -13.861 -8.562 6.656 1.00 0.00 H new ATOM 0 HG11 VAL B 396 -12.683 -10.306 7.933 1.00 0.00 H new ATOM 0 HG12 VAL B 396 -12.937 -10.786 6.239 1.00 0.00 H new ATOM 0 HG13 VAL B 396 -11.333 -10.236 6.776 1.00 0.00 H new ATOM 0 HG21 VAL B 396 -12.385 -7.928 8.525 1.00 0.00 H new ATOM 0 HG22 VAL B 396 -11.025 -7.763 7.388 1.00 0.00 H new ATOM 0 HG23 VAL B 396 -12.427 -6.674 7.262 1.00 0.00 H new ATOM 1568 N ASP B 397 -11.816 -6.200 4.161 1.00 0.00 N ATOM 1569 CA ASP B 397 -11.985 -4.799 3.791 1.00 0.00 C ATOM 1570 C ASP B 397 -10.779 -4.339 2.977 1.00 0.00 C ATOM 1571 O ASP B 397 -10.151 -3.324 3.279 1.00 0.00 O ATOM 1572 CB ASP B 397 -12.141 -3.932 5.043 1.00 0.00 C ATOM 1573 CG ASP B 397 -13.425 -3.125 5.033 1.00 0.00 C ATOM 1574 OD1 ASP B 397 -14.387 -3.548 4.357 1.00 0.00 O ATOM 1575 OD2 ASP B 397 -13.470 -2.072 5.702 1.00 0.00 O ATOM 0 H ASP B 397 -10.909 -6.589 3.901 1.00 0.00 H new ATOM 0 HA ASP B 397 -12.887 -4.695 3.188 1.00 0.00 H new ATOM 0 HB2 ASP B 397 -12.123 -4.569 5.927 1.00 0.00 H new ATOM 0 HB3 ASP B 397 -11.290 -3.255 5.121 1.00 0.00 H new ATOM 1580 N PRO B 398 -10.443 -5.113 1.936 1.00 0.00 N ATOM 1581 CA PRO B 398 -9.313 -4.852 1.053 1.00 0.00 C ATOM 1582 C PRO B 398 -8.990 -3.368 0.874 1.00 0.00 C ATOM 1583 O PRO B 398 -7.839 -3.011 0.629 1.00 0.00 O ATOM 1584 CB PRO B 398 -9.783 -5.466 -0.262 1.00 0.00 C ATOM 1585 CG PRO B 398 -10.671 -6.605 0.133 1.00 0.00 C ATOM 1586 CD PRO B 398 -11.150 -6.342 1.542 1.00 0.00 C ATOM 0 HA PRO B 398 -8.386 -5.265 1.450 1.00 0.00 H new ATOM 0 HB2 PRO B 398 -10.323 -4.737 -0.866 1.00 0.00 H new ATOM 0 HB3 PRO B 398 -8.939 -5.813 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO B 398 -11.516 -6.686 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO B 398 -10.128 -7.549 0.083 1.00 0.00 H new ATOM 0 HD2 PRO B 398 -12.231 -6.209 1.577 1.00 0.00 H new ATOM 0 HD3 PRO B 398 -10.909 -7.172 2.207 1.00 0.00 H new ATOM 1594 N ASN B 399 -9.997 -2.507 0.975 1.00 0.00 N ATOM 1595 CA ASN B 399 -9.789 -1.077 0.805 1.00 0.00 C ATOM 1596 C ASN B 399 -8.452 -0.644 1.401 1.00 0.00 C ATOM 1597 O ASN B 399 -8.141 -0.961 2.549 1.00 0.00 O ATOM 1598 CB ASN B 399 -10.935 -0.294 1.444 1.00 0.00 C ATOM 1599 CG ASN B 399 -11.030 -0.530 2.934 1.00 0.00 C ATOM 1600 OD1 ASN B 399 -11.794 -1.378 3.394 1.00 0.00 O ATOM 1601 ND2 ASN B 399 -10.252 0.222 3.696 1.00 0.00 N ATOM 0 H ASN B 399 -10.961 -2.775 1.173 1.00 0.00 H new ATOM 0 HA ASN B 399 -9.769 -0.861 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN B 399 -10.795 0.770 1.255 1.00 0.00 H new ATOM 0 HB3 ASN B 399 -11.875 -0.580 0.972 1.00 0.00 H new ATOM 0 HD21 ASN B 399 -10.270 0.111 4.710 1.00 0.00 H new ATOM 0 HD22 ASN B 399 -9.634 0.913 3.270 1.00 0.00 H new ATOM 1608 N SER B 400 -7.667 0.080 0.611 1.00 0.00 N ATOM 1609 CA SER B 400 -6.360 0.560 1.050 1.00 0.00 C ATOM 1610 C SER B 400 -6.085 1.945 0.472 1.00 0.00 C ATOM 1611 O SER B 400 -6.692 2.337 -0.524 1.00 0.00 O ATOM 1612 CB SER B 400 -5.264 -0.417 0.616 1.00 0.00 C ATOM 1613 OG SER B 400 -3.976 0.118 0.866 1.00 0.00 O ATOM 0 H SER B 400 -7.914 0.349 -0.341 1.00 0.00 H new ATOM 0 HA SER B 400 -6.361 0.627 2.138 1.00 0.00 H new ATOM 0 HB2 SER B 400 -5.380 -1.360 1.151 1.00 0.00 H new ATOM 0 HB3 SER B 400 -5.369 -0.638 -0.446 1.00 0.00 H new ATOM 0 HG SER B 400 -3.298 -0.448 0.441 1.00 0.00 H new ATOM 1619 N ILE B 401 -5.180 2.694 1.098 1.00 0.00 N ATOM 1620 CA ILE B 401 -4.865 4.032 0.622 1.00 0.00 C ATOM 1621 C ILE B 401 -3.412 4.141 0.156 1.00 0.00 C ATOM 1622 O ILE B 401 -2.513 3.523 0.724 1.00 0.00 O ATOM 1623 CB ILE B 401 -5.168 5.082 1.713 1.00 0.00 C ATOM 1624 CG1 ILE B 401 -4.777 6.487 1.253 1.00 0.00 C ATOM 1625 CG2 ILE B 401 -4.468 4.730 3.013 1.00 0.00 C ATOM 1626 CD1 ILE B 401 -5.965 7.388 0.992 1.00 0.00 C ATOM 0 H ILE B 401 -4.660 2.400 1.925 1.00 0.00 H new ATOM 0 HA ILE B 401 -5.501 4.232 -0.241 1.00 0.00 H new ATOM 0 HB ILE B 401 -6.243 5.074 1.891 1.00 0.00 H new ATOM 0 HG12 ILE B 401 -4.142 6.946 2.011 1.00 0.00 H new ATOM 0 HG13 ILE B 401 -4.182 6.411 0.343 1.00 0.00 H new ATOM 0 HG21 ILE B 401 -4.697 5.485 3.765 1.00 0.00 H new ATOM 0 HG22 ILE B 401 -4.813 3.756 3.360 1.00 0.00 H new ATOM 0 HG23 ILE B 401 -3.391 4.697 2.849 1.00 0.00 H new ATOM 0 HD11 ILE B 401 -5.614 8.368 0.669 1.00 0.00 H new ATOM 0 HD12 ILE B 401 -6.589 6.951 0.212 1.00 0.00 H new ATOM 0 HD13 ILE B 401 -6.549 7.495 1.906 1.00 0.00 H new ATOM 1638 N VAL B 402 -3.204 4.941 -0.890 1.00 0.00 N ATOM 1639 CA VAL B 402 -1.877 5.164 -1.468 1.00 0.00 C ATOM 1640 C VAL B 402 -1.601 6.653 -1.549 1.00 0.00 C ATOM 1641 O VAL B 402 -2.423 7.399 -2.081 1.00 0.00 O ATOM 1642 CB VAL B 402 -1.776 4.599 -2.903 1.00 0.00 C ATOM 1643 CG1 VAL B 402 -0.545 3.727 -3.065 1.00 0.00 C ATOM 1644 CG2 VAL B 402 -3.033 3.827 -3.275 1.00 0.00 C ATOM 0 H VAL B 402 -3.950 5.453 -1.361 1.00 0.00 H new ATOM 0 HA VAL B 402 -1.157 4.657 -0.826 1.00 0.00 H new ATOM 0 HB VAL B 402 -1.681 5.445 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL B 402 -0.502 3.344 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL B 402 0.348 4.317 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL B 402 -0.596 2.892 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL B 402 -2.936 3.440 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL B 402 -3.169 2.997 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL B 402 -3.897 4.490 -3.221 1.00 0.00 H new ATOM 1654 N GLU B 403 -0.462 7.112 -1.039 1.00 0.00 N ATOM 1655 CA GLU B 403 -0.152 8.532 -1.100 1.00 0.00 C ATOM 1656 C GLU B 403 1.000 8.789 -2.066 1.00 0.00 C ATOM 1657 O GLU B 403 2.040 8.136 -1.990 1.00 0.00 O ATOM 1658 CB GLU B 403 0.205 9.059 0.293 1.00 0.00 C ATOM 1659 CG GLU B 403 -0.799 10.064 0.837 1.00 0.00 C ATOM 1660 CD GLU B 403 -0.416 10.595 2.205 1.00 0.00 C ATOM 1661 OE1 GLU B 403 0.776 10.912 2.407 1.00 0.00 O ATOM 1662 OE2 GLU B 403 -1.307 10.697 3.073 1.00 0.00 O ATOM 0 H GLU B 403 0.247 6.534 -0.588 1.00 0.00 H new ATOM 0 HA GLU B 403 -1.034 9.060 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU B 403 0.276 8.219 0.983 1.00 0.00 H new ATOM 0 HB3 GLU B 403 1.190 9.525 0.255 1.00 0.00 H new ATOM 0 HG2 GLU B 403 -0.886 10.897 0.140 1.00 0.00 H new ATOM 0 HG3 GLU B 403 -1.781 9.594 0.896 1.00 0.00 H new ATOM 1669 N CYS B 404 0.822 9.759 -2.957 1.00 0.00 N ATOM 1670 CA CYS B 404 1.861 10.116 -3.916 1.00 0.00 C ATOM 1671 C CYS B 404 2.688 11.252 -3.344 1.00 0.00 C ATOM 1672 O CYS B 404 2.137 12.157 -2.709 1.00 0.00 O ATOM 1673 CB CYS B 404 1.252 10.522 -5.261 1.00 0.00 C ATOM 1674 SG CYS B 404 -0.286 11.465 -5.130 1.00 0.00 S ATOM 0 H CYS B 404 -0.032 10.312 -3.035 1.00 0.00 H new ATOM 0 HA CYS B 404 2.498 9.249 -4.092 1.00 0.00 H new ATOM 0 HB2 CYS B 404 1.982 11.115 -5.812 1.00 0.00 H new ATOM 0 HB3 CYS B 404 1.064 9.623 -5.847 1.00 0.00 H new ATOM 0 HG CYS B 404 -1.162 10.983 -5.961 1.00 0.00 H new ATOM 1680 N ARG B 405 4.001 11.219 -3.560 1.00 0.00 N ATOM 1681 CA ARG B 405 4.857 12.268 -3.034 1.00 0.00 C ATOM 1682 C ARG B 405 6.215 12.308 -3.724 1.00 0.00 C ATOM 1683 O ARG B 405 6.466 11.579 -4.683 1.00 0.00 O ATOM 1684 CB ARG B 405 5.031 12.077 -1.525 1.00 0.00 C ATOM 1685 CG ARG B 405 6.250 11.250 -1.145 1.00 0.00 C ATOM 1686 CD ARG B 405 6.229 10.865 0.325 1.00 0.00 C ATOM 1687 NE ARG B 405 7.268 11.553 1.085 1.00 0.00 N ATOM 1688 CZ ARG B 405 7.358 11.516 2.411 1.00 0.00 C ATOM 1689 NH1 ARG B 405 6.475 10.823 3.117 1.00 0.00 N ATOM 1690 NH2 ARG B 405 8.331 12.170 3.030 1.00 0.00 N ATOM 0 H ARG B 405 4.484 10.490 -4.086 1.00 0.00 H new ATOM 0 HA ARG B 405 4.373 13.224 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG B 405 5.106 13.056 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG B 405 4.139 11.596 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG B 405 6.284 10.349 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG B 405 7.156 11.816 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG B 405 5.253 11.102 0.748 1.00 0.00 H new ATOM 0 HD3 ARG B 405 6.364 9.788 0.420 1.00 0.00 H new ATOM 0 HE ARG B 405 7.964 12.092 0.570 1.00 0.00 H new ATOM 0 HH11 ARG B 405 5.726 10.318 2.643 1.00 0.00 H new ATOM 0 HH12 ARG B 405 6.544 10.795 4.134 1.00 0.00 H new ATOM 0 HH21 ARG B 405 9.012 12.703 2.489 1.00 0.00 H new ATOM 0 HH22 ARG B 405 8.398 12.141 4.047 1.00 0.00 H new ATOM 1704 N VAL B 406 7.083 13.182 -3.223 1.00 0.00 N ATOM 1705 CA VAL B 406 8.419 13.349 -3.773 1.00 0.00 C ATOM 1706 C VAL B 406 9.457 13.457 -2.661 1.00 0.00 C ATOM 1707 O VAL B 406 9.177 14.006 -1.591 1.00 0.00 O ATOM 1708 CB VAL B 406 8.497 14.603 -4.662 1.00 0.00 C ATOM 1709 CG1 VAL B 406 8.258 14.245 -6.118 1.00 0.00 C ATOM 1710 CG2 VAL B 406 7.488 15.632 -4.196 1.00 0.00 C ATOM 0 H VAL B 406 6.879 13.790 -2.429 1.00 0.00 H new ATOM 0 HA VAL B 406 8.633 12.468 -4.378 1.00 0.00 H new ATOM 0 HB VAL B 406 9.497 15.028 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL B 406 8.318 15.146 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL B 406 9.015 13.533 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL B 406 7.269 13.799 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL B 406 7.550 16.516 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL B 406 6.484 15.211 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL B 406 7.702 15.910 -3.164 1.00 0.00 H new ATOM 1720 N GLY B 407 10.647 12.922 -2.929 1.00 0.00 N ATOM 1721 CA GLY B 407 11.731 12.939 -1.959 1.00 0.00 C ATOM 1722 C GLY B 407 11.763 14.189 -1.101 1.00 0.00 C ATOM 1723 O GLY B 407 12.127 14.130 0.074 1.00 0.00 O ATOM 0 H GLY B 407 10.881 12.471 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY B 407 11.641 12.067 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY B 407 12.680 12.847 -2.487 1.00 0.00 H new ATOM 1727 N ASP B 408 11.387 15.323 -1.679 1.00 0.00 N ATOM 1728 CA ASP B 408 11.385 16.584 -0.945 1.00 0.00 C ATOM 1729 C ASP B 408 10.440 16.512 0.248 1.00 0.00 C ATOM 1730 O ASP B 408 10.459 17.376 1.124 1.00 0.00 O ATOM 1731 CB ASP B 408 10.974 17.737 -1.865 1.00 0.00 C ATOM 1732 CG ASP B 408 11.847 17.834 -3.099 1.00 0.00 C ATOM 1733 OD1 ASP B 408 12.904 17.167 -3.134 1.00 0.00 O ATOM 1734 OD2 ASP B 408 11.475 18.575 -4.033 1.00 0.00 O ATOM 0 H ASP B 408 11.081 15.397 -2.649 1.00 0.00 H new ATOM 0 HA ASP B 408 12.396 16.765 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP B 408 9.936 17.603 -2.168 1.00 0.00 H new ATOM 0 HB3 ASP B 408 11.026 18.675 -1.312 1.00 0.00 H new ATOM 1739 N GLY B 409 9.608 15.478 0.268 1.00 0.00 N ATOM 1740 CA GLY B 409 8.660 15.308 1.345 1.00 0.00 C ATOM 1741 C GLY B 409 7.336 15.970 1.035 1.00 0.00 C ATOM 1742 O GLY B 409 6.684 16.525 1.921 1.00 0.00 O ATOM 0 H GLY B 409 9.576 14.752 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY B 409 8.502 14.245 1.526 1.00 0.00 H new ATOM 0 HA3 GLY B 409 9.072 15.730 2.262 1.00 0.00 H new ATOM 1746 N THR B 410 6.940 15.916 -0.232 1.00 0.00 N ATOM 1747 CA THR B 410 5.684 16.524 -0.664 1.00 0.00 C ATOM 1748 C THR B 410 4.731 15.481 -1.233 1.00 0.00 C ATOM 1749 O THR B 410 5.023 14.858 -2.249 1.00 0.00 O ATOM 1750 CB THR B 410 5.923 17.616 -1.725 1.00 0.00 C ATOM 1751 OG1 THR B 410 6.541 18.775 -1.151 1.00 0.00 O ATOM 1752 CG2 THR B 410 4.615 18.038 -2.376 1.00 0.00 C ATOM 0 H THR B 410 7.467 15.460 -0.976 1.00 0.00 H new ATOM 0 HA THR B 410 5.235 16.977 0.220 1.00 0.00 H new ATOM 0 HB THR B 410 6.587 17.187 -2.476 1.00 0.00 H new ATOM 0 HG1 THR B 410 6.682 19.450 -1.848 1.00 0.00 H new ATOM 0 HG21 THR B 410 4.811 18.809 -3.121 1.00 0.00 H new ATOM 0 HG22 THR B 410 4.154 17.176 -2.859 1.00 0.00 H new ATOM 0 HG23 THR B 410 3.940 18.431 -1.616 1.00 0.00 H new ATOM 1760 N VAL B 411 3.590 15.301 -0.570 1.00 0.00 N ATOM 1761 CA VAL B 411 2.586 14.335 -1.007 1.00 0.00 C ATOM 1762 C VAL B 411 1.694 14.922 -2.097 1.00 0.00 C ATOM 1763 O VAL B 411 0.727 15.626 -1.807 1.00 0.00 O ATOM 1764 CB VAL B 411 1.700 13.881 0.171 1.00 0.00 C ATOM 1765 CG1 VAL B 411 0.755 12.771 -0.263 1.00 0.00 C ATOM 1766 CG2 VAL B 411 2.558 13.427 1.339 1.00 0.00 C ATOM 0 H VAL B 411 3.338 15.814 0.275 1.00 0.00 H new ATOM 0 HA VAL B 411 3.125 13.475 -1.406 1.00 0.00 H new ATOM 0 HB VAL B 411 1.100 14.731 0.495 1.00 0.00 H new ATOM 0 HG11 VAL B 411 0.139 12.466 0.583 1.00 0.00 H new ATOM 0 HG12 VAL B 411 0.114 13.133 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL B 411 1.334 11.918 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL B 411 1.916 13.110 2.161 1.00 0.00 H new ATOM 0 HG22 VAL B 411 3.186 12.592 1.027 1.00 0.00 H new ATOM 0 HG23 VAL B 411 3.189 14.252 1.669 1.00 0.00 H new ATOM 1776 N LEU B 412 2.025 14.629 -3.351 1.00 0.00 N ATOM 1777 CA LEU B 412 1.254 15.129 -4.480 1.00 0.00 C ATOM 1778 C LEU B 412 -0.228 14.841 -4.297 1.00 0.00 C ATOM 1779 O LEU B 412 -1.074 15.548 -4.844 1.00 0.00 O ATOM 1780 CB LEU B 412 1.738 14.498 -5.788 1.00 0.00 C ATOM 1781 CG LEU B 412 3.236 14.645 -6.081 1.00 0.00 C ATOM 1782 CD1 LEU B 412 3.831 15.826 -5.328 1.00 0.00 C ATOM 1783 CD2 LEU B 412 3.974 13.365 -5.721 1.00 0.00 C ATOM 0 H LEU B 412 2.822 14.048 -3.609 1.00 0.00 H new ATOM 0 HA LEU B 412 1.401 16.208 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU B 412 1.492 13.436 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU B 412 1.180 14.941 -6.613 1.00 0.00 H new ATOM 0 HG LEU B 412 3.352 14.832 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU B 412 4.894 15.905 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU B 412 3.326 16.743 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU B 412 3.700 15.678 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU B 412 5.036 13.485 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU B 412 3.839 13.153 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU B 412 3.577 12.538 -6.310 1.00 0.00 H new ATOM 1795 N GLY B 413 -0.548 13.798 -3.534 1.00 0.00 N ATOM 1796 CA GLY B 413 -1.947 13.466 -3.328 1.00 0.00 C ATOM 1797 C GLY B 413 -2.170 12.297 -2.392 1.00 0.00 C ATOM 1798 O GLY B 413 -1.225 11.739 -1.834 1.00 0.00 O ATOM 0 H GLY B 413 0.121 13.188 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY B 413 -2.463 14.340 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY B 413 -2.402 13.238 -4.292 1.00 0.00 H new ATOM 1802 N THR B 414 -3.439 11.934 -2.229 1.00 0.00 N ATOM 1803 CA THR B 414 -3.828 10.829 -1.362 1.00 0.00 C ATOM 1804 C THR B 414 -5.081 10.143 -1.901 1.00 0.00 C ATOM 1805 O THR B 414 -6.128 10.774 -2.049 1.00 0.00 O ATOM 1806 CB THR B 414 -4.094 11.322 0.076 1.00 0.00 C ATOM 1807 OG1 THR B 414 -2.870 11.619 0.758 1.00 0.00 O ATOM 1808 CG2 THR B 414 -4.855 10.281 0.883 1.00 0.00 C ATOM 0 H THR B 414 -4.222 12.395 -2.692 1.00 0.00 H new ATOM 0 HA THR B 414 -3.004 10.116 -1.344 1.00 0.00 H new ATOM 0 HB THR B 414 -4.693 12.228 -0.009 1.00 0.00 H new ATOM 0 HG1 THR B 414 -3.069 11.930 1.666 1.00 0.00 H new ATOM 0 HG21 THR B 414 -5.027 10.657 1.891 1.00 0.00 H new ATOM 0 HG22 THR B 414 -5.812 10.077 0.403 1.00 0.00 H new ATOM 0 HG23 THR B 414 -4.271 9.362 0.933 1.00 0.00 H new ATOM 1816 N GLY B 415 -4.967 8.854 -2.205 1.00 0.00 N ATOM 1817 CA GLY B 415 -6.103 8.120 -2.734 1.00 0.00 C ATOM 1818 C GLY B 415 -6.356 6.810 -2.011 1.00 0.00 C ATOM 1819 O GLY B 415 -5.492 6.305 -1.297 1.00 0.00 O ATOM 0 H GLY B 415 -4.113 8.307 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY B 415 -6.994 8.744 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY B 415 -5.936 7.918 -3.792 1.00 0.00 H new ATOM 1823 N VAL B 416 -7.549 6.262 -2.210 1.00 0.00 N ATOM 1824 CA VAL B 416 -7.940 5.004 -1.586 1.00 0.00 C ATOM 1825 C VAL B 416 -8.627 4.097 -2.602 1.00 0.00 C ATOM 1826 O VAL B 416 -9.087 4.562 -3.645 1.00 0.00 O ATOM 1827 CB VAL B 416 -8.881 5.243 -0.386 1.00 0.00 C ATOM 1828 CG1 VAL B 416 -10.308 5.492 -0.855 1.00 0.00 C ATOM 1829 CG2 VAL B 416 -8.826 4.067 0.579 1.00 0.00 C ATOM 0 H VAL B 416 -8.268 6.674 -2.804 1.00 0.00 H new ATOM 0 HA VAL B 416 -7.033 4.519 -1.223 1.00 0.00 H new ATOM 0 HB VAL B 416 -8.541 6.134 0.141 1.00 0.00 H new ATOM 0 HG11 VAL B 416 -10.951 5.658 0.009 1.00 0.00 H new ATOM 0 HG12 VAL B 416 -10.331 6.371 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL B 416 -10.664 4.625 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL B 416 -9.496 4.254 1.418 1.00 0.00 H new ATOM 0 HG22 VAL B 416 -9.135 3.158 0.063 1.00 0.00 H new ATOM 0 HG23 VAL B 416 -7.807 3.946 0.948 1.00 0.00 H new ATOM 1839 N GLY B 417 -8.689 2.803 -2.304 1.00 0.00 N ATOM 1840 CA GLY B 417 -9.317 1.875 -3.225 1.00 0.00 C ATOM 1841 C GLY B 417 -9.829 0.614 -2.555 1.00 0.00 C ATOM 1842 O GLY B 417 -9.049 -0.180 -2.034 1.00 0.00 O ATOM 0 H GLY B 417 -8.320 2.384 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -10.147 2.375 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -8.600 1.601 -3.998 1.00 0.00 H new ATOM 1846 N ARG B 418 -11.148 0.430 -2.584 1.00 0.00 N ATOM 1847 CA ARG B 418 -11.785 -0.745 -1.986 1.00 0.00 C ATOM 1848 C ARG B 418 -11.032 -2.024 -2.338 1.00 0.00 C ATOM 1849 O ARG B 418 -10.618 -2.765 -1.449 1.00 0.00 O ATOM 1850 CB ARG B 418 -13.242 -0.854 -2.447 1.00 0.00 C ATOM 1851 CG ARG B 418 -13.520 -0.157 -3.772 1.00 0.00 C ATOM 1852 CD ARG B 418 -14.080 1.242 -3.560 1.00 0.00 C ATOM 1853 NE ARG B 418 -15.064 1.600 -4.580 1.00 0.00 N ATOM 1854 CZ ARG B 418 -16.249 1.015 -4.693 1.00 0.00 C ATOM 1855 NH1 ARG B 418 -16.594 0.045 -3.860 1.00 0.00 N ATOM 1856 NH2 ARG B 418 -17.093 1.398 -5.642 1.00 0.00 N ATOM 0 H ARG B 418 -11.801 1.083 -3.018 1.00 0.00 H new ATOM 0 HA ARG B 418 -11.759 -0.622 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG B 418 -13.507 -1.907 -2.538 1.00 0.00 H new ATOM 0 HB3 ARG B 418 -13.889 -0.428 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG B 418 -12.600 -0.097 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG B 418 -14.227 -0.748 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG B 418 -14.542 1.302 -2.574 1.00 0.00 H new ATOM 0 HD3 ARG B 418 -13.264 1.965 -3.574 1.00 0.00 H new ATOM 0 HE ARG B 418 -14.826 2.340 -5.241 1.00 0.00 H new ATOM 0 HH11 ARG B 418 -15.948 -0.254 -3.129 1.00 0.00 H new ATOM 0 HH12 ARG B 418 -17.506 -0.403 -3.949 1.00 0.00 H new ATOM 0 HH21 ARG B 418 -16.831 2.144 -6.287 1.00 0.00 H new ATOM 0 HH22 ARG B 418 -18.004 0.947 -5.727 1.00 0.00 H new ATOM 1870 N ASN B 419 -10.832 -2.271 -3.629 1.00 0.00 N ATOM 1871 CA ASN B 419 -10.100 -3.458 -4.056 1.00 0.00 C ATOM 1872 C ASN B 419 -8.601 -3.167 -4.089 1.00 0.00 C ATOM 1873 O ASN B 419 -7.793 -4.067 -4.314 1.00 0.00 O ATOM 1874 CB ASN B 419 -10.584 -3.958 -5.423 1.00 0.00 C ATOM 1875 CG ASN B 419 -11.045 -2.843 -6.338 1.00 0.00 C ATOM 1876 OD1 ASN B 419 -12.114 -2.265 -6.143 1.00 0.00 O ATOM 1877 ND2 ASN B 419 -10.234 -2.533 -7.347 1.00 0.00 N ATOM 0 H ASN B 419 -11.161 -1.674 -4.388 1.00 0.00 H new ATOM 0 HA ASN B 419 -10.291 -4.250 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN B 419 -9.777 -4.507 -5.908 1.00 0.00 H new ATOM 0 HB3 ASN B 419 -11.404 -4.661 -5.276 1.00 0.00 H new ATOM 0 HD21 ASN B 419 -10.490 -1.789 -7.997 1.00 0.00 H new ATOM 0 HD22 ASN B 419 -9.357 -3.039 -7.470 1.00 0.00 H new ATOM 1884 N ILE B 420 -8.250 -1.899 -3.856 1.00 0.00 N ATOM 1885 CA ILE B 420 -6.863 -1.432 -3.836 1.00 0.00 C ATOM 1886 C ILE B 420 -6.424 -0.875 -5.179 1.00 0.00 C ATOM 1887 O ILE B 420 -5.813 0.191 -5.232 1.00 0.00 O ATOM 1888 CB ILE B 420 -5.846 -2.483 -3.351 1.00 0.00 C ATOM 1889 CG1 ILE B 420 -5.293 -3.317 -4.512 1.00 0.00 C ATOM 1890 CG2 ILE B 420 -6.452 -3.375 -2.277 1.00 0.00 C ATOM 1891 CD1 ILE B 420 -4.086 -2.690 -5.184 1.00 0.00 C ATOM 0 H ILE B 420 -8.930 -1.160 -3.674 1.00 0.00 H new ATOM 0 HA ILE B 420 -6.865 -0.630 -3.098 1.00 0.00 H new ATOM 0 HB ILE B 420 -5.007 -1.944 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE B 420 -5.021 -4.305 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE B 420 -6.079 -3.460 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE B 420 -5.713 -4.108 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE B 420 -6.756 -2.765 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE B 420 -7.322 -3.892 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE B 420 -3.747 -3.333 -5.996 1.00 0.00 H new ATOM 0 HD12 ILE B 420 -4.359 -1.713 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE B 420 -3.284 -2.572 -4.455 1.00 0.00 H new ATOM 1903 N LYS B 421 -6.725 -1.571 -6.271 1.00 0.00 N ATOM 1904 CA LYS B 421 -6.328 -1.064 -7.574 1.00 0.00 C ATOM 1905 C LYS B 421 -6.701 0.395 -7.656 1.00 0.00 C ATOM 1906 O LYS B 421 -5.842 1.266 -7.796 1.00 0.00 O ATOM 1907 CB LYS B 421 -6.987 -1.832 -8.709 1.00 0.00 C ATOM 1908 CG LYS B 421 -6.000 -2.201 -9.792 1.00 0.00 C ATOM 1909 CD LYS B 421 -4.919 -3.113 -9.247 1.00 0.00 C ATOM 1910 CE LYS B 421 -4.858 -4.421 -10.015 1.00 0.00 C ATOM 1911 NZ LYS B 421 -4.437 -5.554 -9.146 1.00 0.00 N ATOM 0 H LYS B 421 -7.226 -2.459 -6.280 1.00 0.00 H new ATOM 0 HA LYS B 421 -5.251 -1.192 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS B 421 -7.447 -2.738 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS B 421 -7.787 -1.229 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS B 421 -6.521 -2.696 -10.612 1.00 0.00 H new ATOM 0 HG3 LYS B 421 -5.548 -1.298 -10.201 1.00 0.00 H new ATOM 0 HD2 LYS B 421 -3.954 -2.610 -9.305 1.00 0.00 H new ATOM 0 HD3 LYS B 421 -5.110 -3.317 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS B 421 -5.837 -4.636 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS B 421 -4.160 -4.322 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 421 -4.407 -6.429 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 421 -3.492 -5.360 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 421 -5.117 -5.665 -8.367 1.00 0.00 H new ATOM 1925 N ILE B 422 -7.992 0.661 -7.527 1.00 0.00 N ATOM 1926 CA ILE B 422 -8.473 2.031 -7.544 1.00 0.00 C ATOM 1927 C ILE B 422 -7.531 2.879 -6.720 1.00 0.00 C ATOM 1928 O ILE B 422 -7.312 4.041 -7.020 1.00 0.00 O ATOM 1929 CB ILE B 422 -9.894 2.197 -6.957 1.00 0.00 C ATOM 1930 CG1 ILE B 422 -10.567 0.844 -6.736 1.00 0.00 C ATOM 1931 CG2 ILE B 422 -10.737 3.084 -7.856 1.00 0.00 C ATOM 1932 CD1 ILE B 422 -9.991 0.087 -5.560 1.00 0.00 C ATOM 0 H ILE B 422 -8.718 -0.046 -7.411 1.00 0.00 H new ATOM 0 HA ILE B 422 -8.513 2.338 -8.589 1.00 0.00 H new ATOM 0 HB ILE B 422 -9.803 2.679 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE B 422 -11.634 0.996 -6.576 1.00 0.00 H new ATOM 0 HG13 ILE B 422 -10.462 0.240 -7.637 1.00 0.00 H new ATOM 0 HG21 ILE B 422 -11.734 3.191 -7.429 1.00 0.00 H new ATOM 0 HG22 ILE B 422 -10.271 4.066 -7.939 1.00 0.00 H new ATOM 0 HG23 ILE B 422 -10.812 2.633 -8.845 1.00 0.00 H new ATOM 0 HD11 ILE B 422 -10.509 -0.866 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE B 422 -8.929 -0.093 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE B 422 -10.120 0.674 -4.651 1.00 0.00 H new ATOM 1944 N ALA B 423 -6.962 2.270 -5.678 1.00 0.00 N ATOM 1945 CA ALA B 423 -6.029 2.968 -4.817 1.00 0.00 C ATOM 1946 C ALA B 423 -4.746 3.274 -5.574 1.00 0.00 C ATOM 1947 O ALA B 423 -4.240 4.395 -5.520 1.00 0.00 O ATOM 1948 CB ALA B 423 -5.735 2.160 -3.565 1.00 0.00 C ATOM 0 H ALA B 423 -7.135 1.299 -5.418 1.00 0.00 H new ATOM 0 HA ALA B 423 -6.484 3.909 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -5.032 2.706 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -6.661 1.993 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -5.301 1.200 -3.845 1.00 0.00 H new ATOM 1954 N GLY B 424 -4.225 2.281 -6.295 1.00 0.00 N ATOM 1955 CA GLY B 424 -3.016 2.504 -7.059 1.00 0.00 C ATOM 1956 C GLY B 424 -3.227 3.541 -8.143 1.00 0.00 C ATOM 1957 O GLY B 424 -2.551 4.575 -8.175 1.00 0.00 O ATOM 0 H GLY B 424 -4.615 1.341 -6.361 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -2.218 2.831 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -2.691 1.566 -7.510 1.00 0.00 H new ATOM 1961 N ILE B 425 -4.183 3.272 -9.028 1.00 0.00 N ATOM 1962 CA ILE B 425 -4.495 4.191 -10.111 1.00 0.00 C ATOM 1963 C ILE B 425 -4.920 5.548 -9.562 1.00 0.00 C ATOM 1964 O ILE B 425 -4.599 6.589 -10.137 1.00 0.00 O ATOM 1965 CB ILE B 425 -5.609 3.638 -11.017 1.00 0.00 C ATOM 1966 CG1 ILE B 425 -5.417 2.137 -11.242 1.00 0.00 C ATOM 1967 CG2 ILE B 425 -5.624 4.383 -12.343 1.00 0.00 C ATOM 1968 CD1 ILE B 425 -3.966 1.713 -11.316 1.00 0.00 C ATOM 0 H ILE B 425 -4.752 2.426 -9.014 1.00 0.00 H new ATOM 0 HA ILE B 425 -3.588 4.307 -10.705 1.00 0.00 H new ATOM 0 HB ILE B 425 -6.570 3.789 -10.525 1.00 0.00 H new ATOM 0 HG12 ILE B 425 -5.905 1.592 -10.434 1.00 0.00 H new ATOM 0 HG13 ILE B 425 -5.918 1.850 -12.167 1.00 0.00 H new ATOM 0 HG21 ILE B 425 -6.416 3.983 -12.976 1.00 0.00 H new ATOM 0 HG22 ILE B 425 -5.804 5.443 -12.163 1.00 0.00 H new ATOM 0 HG23 ILE B 425 -4.663 4.257 -12.842 1.00 0.00 H new ATOM 0 HD11 ILE B 425 -3.909 0.636 -11.477 1.00 0.00 H new ATOM 0 HD12 ILE B 425 -3.478 2.230 -12.142 1.00 0.00 H new ATOM 0 HD13 ILE B 425 -3.465 1.967 -10.382 1.00 0.00 H new ATOM 1980 N ARG B 426 -5.637 5.529 -8.442 1.00 0.00 N ATOM 1981 CA ARG B 426 -6.094 6.761 -7.812 1.00 0.00 C ATOM 1982 C ARG B 426 -4.902 7.603 -7.388 1.00 0.00 C ATOM 1983 O ARG B 426 -4.772 8.756 -7.798 1.00 0.00 O ATOM 1984 CB ARG B 426 -6.977 6.460 -6.601 1.00 0.00 C ATOM 1985 CG ARG B 426 -7.258 7.671 -5.732 1.00 0.00 C ATOM 1986 CD ARG B 426 -8.431 8.476 -6.268 1.00 0.00 C ATOM 1987 NE ARG B 426 -8.246 8.839 -7.671 1.00 0.00 N ATOM 1988 CZ ARG B 426 -9.245 8.990 -8.537 1.00 0.00 C ATOM 1989 NH1 ARG B 426 -10.501 8.822 -8.146 1.00 0.00 N ATOM 1990 NH2 ARG B 426 -8.987 9.315 -9.797 1.00 0.00 N ATOM 0 H ARG B 426 -5.913 4.677 -7.954 1.00 0.00 H new ATOM 0 HA ARG B 426 -6.686 7.317 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG B 426 -7.924 6.046 -6.947 1.00 0.00 H new ATOM 0 HB3 ARG B 426 -6.496 5.693 -5.994 1.00 0.00 H new ATOM 0 HG2 ARG B 426 -7.471 7.348 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG B 426 -6.371 8.303 -5.687 1.00 0.00 H new ATOM 0 HD2 ARG B 426 -9.348 7.897 -6.161 1.00 0.00 H new ATOM 0 HD3 ARG B 426 -8.553 9.380 -5.672 1.00 0.00 H new ATOM 0 HE ARG B 426 -7.294 8.985 -8.007 1.00 0.00 H new ATOM 0 HH11 ARG B 426 -10.705 8.576 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG B 426 -11.263 8.939 -8.814 1.00 0.00 H new ATOM 0 HH21 ARG B 426 -8.023 9.449 -10.102 1.00 0.00 H new ATOM 0 HH22 ARG B 426 -9.753 9.431 -10.461 1.00 0.00 H new ATOM 2004 N ALA B 427 -4.017 7.021 -6.580 1.00 0.00 N ATOM 2005 CA ALA B 427 -2.837 7.739 -6.140 1.00 0.00 C ATOM 2006 C ALA B 427 -2.216 8.453 -7.329 1.00 0.00 C ATOM 2007 O ALA B 427 -1.811 9.612 -7.234 1.00 0.00 O ATOM 2008 CB ALA B 427 -1.836 6.799 -5.486 1.00 0.00 C ATOM 0 H ALA B 427 -4.098 6.068 -6.225 1.00 0.00 H new ATOM 0 HA ALA B 427 -3.126 8.475 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA B 427 -0.961 7.365 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA B 427 -2.296 6.322 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA B 427 -1.532 6.036 -6.202 1.00 0.00 H new ATOM 2014 N ALA B 428 -2.165 7.754 -8.462 1.00 0.00 N ATOM 2015 CA ALA B 428 -1.616 8.326 -9.684 1.00 0.00 C ATOM 2016 C ALA B 428 -2.308 9.647 -9.998 1.00 0.00 C ATOM 2017 O ALA B 428 -1.695 10.718 -9.940 1.00 0.00 O ATOM 2018 CB ALA B 428 -1.764 7.359 -10.849 1.00 0.00 C ATOM 0 H ALA B 428 -2.497 6.794 -8.556 1.00 0.00 H new ATOM 0 HA ALA B 428 -0.553 8.511 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA B 428 -1.347 7.808 -11.750 1.00 0.00 H new ATOM 0 HB2 ALA B 428 -1.232 6.435 -10.625 1.00 0.00 H new ATOM 0 HB3 ALA B 428 -2.820 7.140 -11.008 1.00 0.00 H new ATOM 2024 N GLU B 429 -3.597 9.565 -10.310 1.00 0.00 N ATOM 2025 CA GLU B 429 -4.383 10.751 -10.610 1.00 0.00 C ATOM 2026 C GLU B 429 -4.128 11.816 -9.553 1.00 0.00 C ATOM 2027 O GLU B 429 -3.935 12.989 -9.866 1.00 0.00 O ATOM 2028 CB GLU B 429 -5.873 10.407 -10.654 1.00 0.00 C ATOM 2029 CG GLU B 429 -6.404 10.172 -12.058 1.00 0.00 C ATOM 2030 CD GLU B 429 -7.790 10.754 -12.260 1.00 0.00 C ATOM 2031 OE1 GLU B 429 -7.978 11.954 -11.967 1.00 0.00 O ATOM 2032 OE2 GLU B 429 -8.688 10.011 -12.710 1.00 0.00 O ATOM 0 H GLU B 429 -4.117 8.689 -10.361 1.00 0.00 H new ATOM 0 HA GLU B 429 -4.085 11.133 -11.587 1.00 0.00 H new ATOM 0 HB2 GLU B 429 -6.049 9.514 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU B 429 -6.438 11.217 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU B 429 -5.719 10.615 -12.781 1.00 0.00 H new ATOM 0 HG3 GLU B 429 -6.431 9.101 -12.258 1.00 0.00 H new ATOM 2039 N ASN B 430 -4.121 11.389 -8.296 1.00 0.00 N ATOM 2040 CA ASN B 430 -3.883 12.296 -7.182 1.00 0.00 C ATOM 2041 C ASN B 430 -2.561 13.035 -7.355 1.00 0.00 C ATOM 2042 O ASN B 430 -2.410 14.165 -6.890 1.00 0.00 O ATOM 2043 CB ASN B 430 -3.882 11.522 -5.864 1.00 0.00 C ATOM 2044 CG ASN B 430 -5.090 11.849 -5.006 1.00 0.00 C ATOM 2045 OD1 ASN B 430 -5.053 12.767 -4.186 1.00 0.00 O ATOM 2046 ND2 ASN B 430 -6.169 11.098 -5.190 1.00 0.00 N ATOM 0 H ASN B 430 -4.278 10.419 -8.023 1.00 0.00 H new ATOM 0 HA ASN B 430 -4.687 13.032 -7.163 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -3.866 10.452 -6.073 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -2.972 11.752 -5.310 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -7.011 11.272 -4.641 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -6.156 10.347 -5.881 1.00 0.00 H new ATOM 2053 N ALA B 431 -1.604 12.398 -8.027 1.00 0.00 N ATOM 2054 CA ALA B 431 -0.305 13.011 -8.249 1.00 0.00 C ATOM 2055 C ALA B 431 -0.414 14.128 -9.273 1.00 0.00 C ATOM 2056 O ALA B 431 0.075 15.237 -9.052 1.00 0.00 O ATOM 2057 CB ALA B 431 0.717 11.982 -8.700 1.00 0.00 C ATOM 0 H ALA B 431 -1.707 11.464 -8.423 1.00 0.00 H new ATOM 0 HA ALA B 431 0.034 13.432 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA B 431 1.679 12.470 -8.858 1.00 0.00 H new ATOM 0 HB2 ALA B 431 0.822 11.213 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA B 431 0.385 11.524 -9.632 1.00 0.00 H new ATOM 2063 N LEU B 432 -1.068 13.837 -10.394 1.00 0.00 N ATOM 2064 CA LEU B 432 -1.243 14.837 -11.439 1.00 0.00 C ATOM 2065 C LEU B 432 -2.606 15.506 -11.325 1.00 0.00 C ATOM 2066 O LEU B 432 -3.056 16.186 -12.247 1.00 0.00 O ATOM 2067 CB LEU B 432 -1.056 14.229 -12.841 1.00 0.00 C ATOM 2068 CG LEU B 432 -1.999 13.082 -13.233 1.00 0.00 C ATOM 2069 CD1 LEU B 432 -1.599 11.793 -12.534 1.00 0.00 C ATOM 2070 CD2 LEU B 432 -3.451 13.428 -12.930 1.00 0.00 C ATOM 0 H LEU B 432 -1.481 12.927 -10.600 1.00 0.00 H new ATOM 0 HA LEU B 432 -0.472 15.594 -11.299 1.00 0.00 H new ATOM 0 HB2 LEU B 432 -1.170 15.027 -13.575 1.00 0.00 H new ATOM 0 HB3 LEU B 432 -0.031 13.867 -12.920 1.00 0.00 H new ATOM 0 HG LEU B 432 -1.909 12.934 -14.309 1.00 0.00 H new ATOM 0 HD11 LEU B 432 -2.280 10.994 -12.826 1.00 0.00 H new ATOM 0 HD12 LEU B 432 -0.582 11.525 -12.819 1.00 0.00 H new ATOM 0 HD13 LEU B 432 -1.648 11.934 -11.454 1.00 0.00 H new ATOM 0 HD21 LEU B 432 -4.092 12.595 -13.219 1.00 0.00 H new ATOM 0 HD22 LEU B 432 -3.564 13.619 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU B 432 -3.738 14.318 -13.491 1.00 0.00 H new ATOM 2082 N ARG B 433 -3.267 15.297 -10.193 1.00 0.00 N ATOM 2083 CA ARG B 433 -4.586 15.878 -9.971 1.00 0.00 C ATOM 2084 C ARG B 433 -4.473 17.281 -9.388 1.00 0.00 C ATOM 2085 O ARG B 433 -5.475 17.887 -9.008 1.00 0.00 O ATOM 2086 CB ARG B 433 -5.413 14.986 -9.043 1.00 0.00 C ATOM 2087 CG ARG B 433 -6.694 15.640 -8.551 1.00 0.00 C ATOM 2088 CD ARG B 433 -6.522 16.233 -7.161 1.00 0.00 C ATOM 2089 NE ARG B 433 -7.718 16.943 -6.720 1.00 0.00 N ATOM 2090 CZ ARG B 433 -8.815 16.334 -6.281 1.00 0.00 C ATOM 2091 NH1 ARG B 433 -8.860 15.009 -6.217 1.00 0.00 N ATOM 2092 NH2 ARG B 433 -9.865 17.048 -5.904 1.00 0.00 N ATOM 0 H ARG B 433 -2.915 14.734 -9.419 1.00 0.00 H new ATOM 0 HA ARG B 433 -5.090 15.948 -10.935 1.00 0.00 H new ATOM 0 HB2 ARG B 433 -5.664 14.064 -9.568 1.00 0.00 H new ATOM 0 HB3 ARG B 433 -4.804 14.707 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG B 433 -6.994 16.424 -9.247 1.00 0.00 H new ATOM 0 HG3 ARG B 433 -7.497 14.903 -8.536 1.00 0.00 H new ATOM 0 HD2 ARG B 433 -6.291 15.437 -6.453 1.00 0.00 H new ATOM 0 HD3 ARG B 433 -5.673 16.917 -7.161 1.00 0.00 H new ATOM 0 HE ARG B 433 -7.712 17.963 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG B 433 -8.052 14.457 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG B 433 -9.702 14.543 -5.880 1.00 0.00 H new ATOM 0 HH21 ARG B 433 -9.832 18.066 -5.950 1.00 0.00 H new ATOM 0 HH22 ARG B 433 -10.706 16.579 -5.567 1.00 0.00 H new ATOM 2106 N ASP B 434 -3.250 17.795 -9.320 1.00 0.00 N ATOM 2107 CA ASP B 434 -3.018 19.128 -8.780 1.00 0.00 C ATOM 2108 C ASP B 434 -2.426 20.049 -9.840 1.00 0.00 C ATOM 2109 O ASP B 434 -1.236 20.362 -9.811 1.00 0.00 O ATOM 2110 CB ASP B 434 -2.083 19.055 -7.575 1.00 0.00 C ATOM 2111 CG ASP B 434 -2.805 18.657 -6.304 1.00 0.00 C ATOM 2112 OD1 ASP B 434 -2.992 17.443 -6.083 1.00 0.00 O ATOM 2113 OD2 ASP B 434 -3.184 19.561 -5.529 1.00 0.00 O ATOM 0 H ASP B 434 -2.408 17.311 -9.631 1.00 0.00 H new ATOM 0 HA ASP B 434 -3.978 19.537 -8.464 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -1.289 18.336 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -1.606 20.024 -7.430 1.00 0.00 H new ATOM 2118 N LYS B 435 -3.265 20.479 -10.774 1.00 0.00 N ATOM 2119 CA LYS B 435 -2.825 21.366 -11.842 1.00 0.00 C ATOM 2120 C LYS B 435 -1.797 22.362 -11.319 1.00 0.00 C ATOM 2121 O LYS B 435 -0.777 22.615 -11.961 1.00 0.00 O ATOM 2122 CB LYS B 435 -4.019 22.112 -12.440 1.00 0.00 C ATOM 2123 CG LYS B 435 -4.362 23.397 -11.706 1.00 0.00 C ATOM 2124 CD LYS B 435 -5.675 23.980 -12.195 1.00 0.00 C ATOM 2125 CE LYS B 435 -5.603 24.351 -13.668 1.00 0.00 C ATOM 2126 NZ LYS B 435 -6.722 25.245 -14.074 1.00 0.00 N ATOM 0 H LYS B 435 -4.253 20.228 -10.813 1.00 0.00 H new ATOM 0 HA LYS B 435 -2.361 20.761 -12.621 1.00 0.00 H new ATOM 0 HB2 LYS B 435 -3.806 22.345 -13.483 1.00 0.00 H new ATOM 0 HB3 LYS B 435 -4.889 21.455 -12.431 1.00 0.00 H new ATOM 0 HG2 LYS B 435 -4.425 23.201 -10.636 1.00 0.00 H new ATOM 0 HG3 LYS B 435 -3.563 24.124 -11.850 1.00 0.00 H new ATOM 0 HD2 LYS B 435 -6.476 23.258 -12.039 1.00 0.00 H new ATOM 0 HD3 LYS B 435 -5.924 24.864 -11.607 1.00 0.00 H new ATOM 0 HE2 LYS B 435 -4.653 24.845 -13.871 1.00 0.00 H new ATOM 0 HE3 LYS B 435 -5.627 23.444 -14.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 435 -6.635 25.473 -15.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 435 -7.629 24.765 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 435 -6.685 26.122 -13.517 1.00 0.00 H new ATOM 2140 N LYS B 436 -2.073 22.922 -10.145 1.00 0.00 N ATOM 2141 CA LYS B 436 -1.174 23.888 -9.526 1.00 0.00 C ATOM 2142 C LYS B 436 0.156 23.229 -9.178 1.00 0.00 C ATOM 2143 O LYS B 436 1.223 23.758 -9.488 1.00 0.00 O ATOM 2144 CB LYS B 436 -1.810 24.483 -8.266 1.00 0.00 C ATOM 2145 CG LYS B 436 -3.331 24.495 -8.294 1.00 0.00 C ATOM 2146 CD LYS B 436 -3.890 25.714 -7.576 1.00 0.00 C ATOM 2147 CE LYS B 436 -3.906 26.933 -8.483 1.00 0.00 C ATOM 2148 NZ LYS B 436 -3.421 28.155 -7.781 1.00 0.00 N ATOM 0 H LYS B 436 -2.914 22.722 -9.603 1.00 0.00 H new ATOM 0 HA LYS B 436 -0.992 24.692 -10.239 1.00 0.00 H new ATOM 0 HB2 LYS B 436 -1.476 23.914 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS B 436 -1.450 25.504 -8.136 1.00 0.00 H new ATOM 0 HG2 LYS B 436 -3.677 24.489 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS B 436 -3.712 23.588 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS B 436 -4.902 25.502 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS B 436 -3.289 25.925 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS B 436 -3.281 26.744 -9.356 1.00 0.00 H new ATOM 0 HE3 LYS B 436 -4.920 27.102 -8.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 436 -3.447 28.964 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 436 -4.032 28.351 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 436 -2.445 28.004 -7.456 1.00 0.00 H new ATOM 2162 N MET B 437 0.082 22.064 -8.540 1.00 0.00 N ATOM 2163 CA MET B 437 1.276 21.320 -8.157 1.00 0.00 C ATOM 2164 C MET B 437 2.089 20.949 -9.390 1.00 0.00 C ATOM 2165 O MET B 437 3.289 21.211 -9.461 1.00 0.00 O ATOM 2166 CB MET B 437 0.882 20.056 -7.395 1.00 0.00 C ATOM 2167 CG MET B 437 2.046 19.126 -7.106 1.00 0.00 C ATOM 2168 SD MET B 437 1.532 17.403 -6.977 1.00 0.00 S ATOM 2169 CE MET B 437 2.226 16.728 -8.482 1.00 0.00 C ATOM 0 H MET B 437 -0.795 21.615 -8.277 1.00 0.00 H new ATOM 0 HA MET B 437 1.887 21.951 -7.512 1.00 0.00 H new ATOM 0 HB2 MET B 437 0.415 20.342 -6.452 1.00 0.00 H new ATOM 0 HB3 MET B 437 0.131 19.515 -7.971 1.00 0.00 H new ATOM 0 HG2 MET B 437 2.790 19.222 -7.897 1.00 0.00 H new ATOM 0 HG3 MET B 437 2.528 19.429 -6.177 1.00 0.00 H new ATOM 0 HE1 MET B 437 2.230 15.640 -8.425 1.00 0.00 H new ATOM 0 HE2 MET B 437 1.624 17.045 -9.334 1.00 0.00 H new ATOM 0 HE3 MET B 437 3.247 17.088 -8.605 1.00 0.00 H new ATOM 2179 N LEU B 438 1.418 20.345 -10.363 1.00 0.00 N ATOM 2180 CA LEU B 438 2.065 19.943 -11.606 1.00 0.00 C ATOM 2181 C LEU B 438 2.693 21.142 -12.293 1.00 0.00 C ATOM 2182 O LEU B 438 3.896 21.174 -12.552 1.00 0.00 O ATOM 2183 CB LEU B 438 1.045 19.325 -12.553 1.00 0.00 C ATOM 2184 CG LEU B 438 0.507 17.954 -12.156 1.00 0.00 C ATOM 2185 CD1 LEU B 438 -0.480 17.473 -13.202 1.00 0.00 C ATOM 2186 CD2 LEU B 438 1.641 16.953 -11.989 1.00 0.00 C ATOM 0 H LEU B 438 0.424 20.122 -10.315 1.00 0.00 H new ATOM 0 HA LEU B 438 2.838 19.214 -11.361 1.00 0.00 H new ATOM 0 HB2 LEU B 438 0.203 20.011 -12.645 1.00 0.00 H new ATOM 0 HB3 LEU B 438 1.499 19.243 -13.541 1.00 0.00 H new ATOM 0 HG LEU B 438 -0.003 18.041 -11.197 1.00 0.00 H new ATOM 0 HD11 LEU B 438 -0.864 16.493 -12.917 1.00 0.00 H new ATOM 0 HD12 LEU B 438 -1.307 18.180 -13.274 1.00 0.00 H new ATOM 0 HD13 LEU B 438 0.020 17.400 -14.168 1.00 0.00 H new ATOM 0 HD21 LEU B 438 1.232 15.983 -11.706 1.00 0.00 H new ATOM 0 HD22 LEU B 438 2.183 16.857 -12.930 1.00 0.00 H new ATOM 0 HD23 LEU B 438 2.322 17.300 -11.212 1.00 0.00 H new ATOM 2198 N ASP B 439 1.856 22.128 -12.577 1.00 0.00 N ATOM 2199 CA ASP B 439 2.300 23.350 -13.231 1.00 0.00 C ATOM 2200 C ASP B 439 3.469 23.950 -12.468 1.00 0.00 C ATOM 2201 O ASP B 439 4.346 24.591 -13.049 1.00 0.00 O ATOM 2202 CB ASP B 439 1.153 24.358 -13.315 1.00 0.00 C ATOM 2203 CG ASP B 439 1.429 25.463 -14.315 1.00 0.00 C ATOM 2204 OD1 ASP B 439 2.444 25.371 -15.038 1.00 0.00 O ATOM 2205 OD2 ASP B 439 0.630 26.421 -14.377 1.00 0.00 O ATOM 0 H ASP B 439 0.859 22.105 -12.363 1.00 0.00 H new ATOM 0 HA ASP B 439 2.623 23.108 -14.244 1.00 0.00 H new ATOM 0 HB2 ASP B 439 0.236 23.839 -13.595 1.00 0.00 H new ATOM 0 HB3 ASP B 439 0.984 24.796 -12.331 1.00 0.00 H new ATOM 2210 N PHE B 440 3.479 23.725 -11.159 1.00 0.00 N ATOM 2211 CA PHE B 440 4.549 24.227 -10.312 1.00 0.00 C ATOM 2212 C PHE B 440 5.851 23.528 -10.671 1.00 0.00 C ATOM 2213 O PHE B 440 6.910 24.153 -10.746 1.00 0.00 O ATOM 2214 CB PHE B 440 4.199 24.015 -8.833 1.00 0.00 C ATOM 2215 CG PHE B 440 5.388 23.772 -7.948 1.00 0.00 C ATOM 2216 CD1 PHE B 440 6.455 24.656 -7.936 1.00 0.00 C ATOM 2217 CD2 PHE B 440 5.434 22.660 -7.126 1.00 0.00 C ATOM 2218 CE1 PHE B 440 7.547 24.433 -7.120 1.00 0.00 C ATOM 2219 CE2 PHE B 440 6.523 22.432 -6.306 1.00 0.00 C ATOM 2220 CZ PHE B 440 7.581 23.319 -6.303 1.00 0.00 C ATOM 0 H PHE B 440 2.759 23.199 -10.664 1.00 0.00 H new ATOM 0 HA PHE B 440 4.671 25.297 -10.477 1.00 0.00 H new ATOM 0 HB2 PHE B 440 3.662 24.891 -8.469 1.00 0.00 H new ATOM 0 HB3 PHE B 440 3.519 23.167 -8.750 1.00 0.00 H new ATOM 0 HD1 PHE B 440 6.433 25.529 -8.572 1.00 0.00 H new ATOM 0 HD2 PHE B 440 4.610 21.962 -7.125 1.00 0.00 H new ATOM 0 HE1 PHE B 440 8.373 25.128 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE B 440 6.546 21.561 -5.668 1.00 0.00 H new ATOM 0 HZ PHE B 440 8.433 23.143 -5.664 1.00 0.00 H new ATOM 2230 N TYR B 441 5.759 22.226 -10.916 1.00 0.00 N ATOM 2231 CA TYR B 441 6.922 21.441 -11.292 1.00 0.00 C ATOM 2232 C TYR B 441 7.295 21.732 -12.738 1.00 0.00 C ATOM 2233 O TYR B 441 8.448 22.025 -13.043 1.00 0.00 O ATOM 2234 CB TYR B 441 6.649 19.952 -11.088 1.00 0.00 C ATOM 2235 CG TYR B 441 6.603 19.560 -9.631 1.00 0.00 C ATOM 2236 CD1 TYR B 441 7.705 19.756 -8.811 1.00 0.00 C ATOM 2237 CD2 TYR B 441 5.458 19.007 -9.073 1.00 0.00 C ATOM 2238 CE1 TYR B 441 7.671 19.412 -7.476 1.00 0.00 C ATOM 2239 CE2 TYR B 441 5.415 18.659 -7.737 1.00 0.00 C ATOM 2240 CZ TYR B 441 6.524 18.864 -6.941 1.00 0.00 C ATOM 2241 OH TYR B 441 6.486 18.519 -5.610 1.00 0.00 O ATOM 0 H TYR B 441 4.890 21.695 -10.860 1.00 0.00 H new ATOM 0 HA TYR B 441 7.761 21.719 -10.654 1.00 0.00 H new ATOM 0 HB2 TYR B 441 5.701 19.693 -11.559 1.00 0.00 H new ATOM 0 HB3 TYR B 441 7.423 19.373 -11.591 1.00 0.00 H new ATOM 0 HD1 TYR B 441 8.605 20.185 -9.225 1.00 0.00 H new ATOM 0 HD2 TYR B 441 4.588 18.847 -9.693 1.00 0.00 H new ATOM 0 HE1 TYR B 441 8.538 19.571 -6.852 1.00 0.00 H new ATOM 0 HE2 TYR B 441 4.518 18.229 -7.317 1.00 0.00 H new ATOM 0 HH TYR B 441 5.605 18.148 -5.393 1.00 0.00 H new ATOM 2251 N ALA B 442 6.308 21.671 -13.624 1.00 0.00 N ATOM 2252 CA ALA B 442 6.543 21.959 -15.031 1.00 0.00 C ATOM 2253 C ALA B 442 7.467 23.163 -15.144 1.00 0.00 C ATOM 2254 O ALA B 442 8.449 23.151 -15.888 1.00 0.00 O ATOM 2255 CB ALA B 442 5.239 22.217 -15.768 1.00 0.00 C ATOM 0 H ALA B 442 5.345 21.426 -13.394 1.00 0.00 H new ATOM 0 HA ALA B 442 7.012 21.091 -15.495 1.00 0.00 H new ATOM 0 HB1 ALA B 442 5.449 22.429 -16.816 1.00 0.00 H new ATOM 0 HB2 ALA B 442 4.600 21.336 -15.697 1.00 0.00 H new ATOM 0 HB3 ALA B 442 4.731 23.071 -15.320 1.00 0.00 H new ATOM 2261 N LYS B 443 7.153 24.193 -14.365 1.00 0.00 N ATOM 2262 CA LYS B 443 7.959 25.402 -14.334 1.00 0.00 C ATOM 2263 C LYS B 443 9.309 25.093 -13.697 1.00 0.00 C ATOM 2264 O LYS B 443 10.346 25.586 -14.138 1.00 0.00 O ATOM 2265 CB LYS B 443 7.232 26.502 -13.552 1.00 0.00 C ATOM 2266 CG LYS B 443 8.162 27.467 -12.833 1.00 0.00 C ATOM 2267 CD LYS B 443 9.138 28.121 -13.797 1.00 0.00 C ATOM 2268 CE LYS B 443 8.975 29.631 -13.816 1.00 0.00 C ATOM 2269 NZ LYS B 443 9.851 30.297 -12.813 1.00 0.00 N ATOM 0 H LYS B 443 6.343 24.212 -13.746 1.00 0.00 H new ATOM 0 HA LYS B 443 8.120 25.758 -15.352 1.00 0.00 H new ATOM 0 HB2 LYS B 443 6.601 27.066 -14.239 1.00 0.00 H new ATOM 0 HB3 LYS B 443 6.571 26.037 -12.820 1.00 0.00 H new ATOM 0 HG2 LYS B 443 7.574 28.236 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS B 443 8.715 26.934 -12.060 1.00 0.00 H new ATOM 0 HD2 LYS B 443 10.159 27.868 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS B 443 8.981 27.724 -14.800 1.00 0.00 H new ATOM 0 HE2 LYS B 443 9.210 30.009 -14.811 1.00 0.00 H new ATOM 0 HE3 LYS B 443 7.934 29.886 -13.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 443 9.710 31.326 -12.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 443 9.610 29.956 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 443 10.846 30.075 -13.019 1.00 0.00 H new ATOM 2283 N GLN B 444 9.282 24.256 -12.662 1.00 0.00 N ATOM 2284 CA GLN B 444 10.498 23.858 -11.970 1.00 0.00 C ATOM 2285 C GLN B 444 11.449 23.159 -12.939 1.00 0.00 C ATOM 2286 O GLN B 444 12.665 23.174 -12.754 1.00 0.00 O ATOM 2287 CB GLN B 444 10.158 22.943 -10.782 1.00 0.00 C ATOM 2288 CG GLN B 444 10.267 21.451 -11.071 1.00 0.00 C ATOM 2289 CD GLN B 444 11.437 20.828 -10.349 1.00 0.00 C ATOM 2290 OE1 GLN B 444 11.380 19.675 -9.925 1.00 0.00 O ATOM 2291 NE2 GLN B 444 12.504 21.599 -10.200 1.00 0.00 N ATOM 0 H GLN B 444 8.429 23.842 -12.287 1.00 0.00 H new ATOM 0 HA GLN B 444 10.994 24.748 -11.584 1.00 0.00 H new ATOM 0 HB2 GLN B 444 10.821 23.187 -9.952 1.00 0.00 H new ATOM 0 HB3 GLN B 444 9.142 23.161 -10.453 1.00 0.00 H new ATOM 0 HG2 GLN B 444 9.346 20.953 -10.769 1.00 0.00 H new ATOM 0 HG3 GLN B 444 10.376 21.295 -12.144 1.00 0.00 H new ATOM 0 HE21 GLN B 444 12.502 22.549 -10.570 1.00 0.00 H new ATOM 0 HE22 GLN B 444 13.327 21.242 -9.715 1.00 0.00 H new ATOM 2300 N ARG B 445 10.877 22.551 -13.975 1.00 0.00 N ATOM 2301 CA ARG B 445 11.660 21.847 -14.983 1.00 0.00 C ATOM 2302 C ARG B 445 12.300 22.834 -15.948 1.00 0.00 C ATOM 2303 O ARG B 445 13.483 22.731 -16.263 1.00 0.00 O ATOM 2304 CB ARG B 445 10.785 20.856 -15.750 1.00 0.00 C ATOM 2305 CG ARG B 445 10.860 19.436 -15.213 1.00 0.00 C ATOM 2306 CD ARG B 445 11.990 18.653 -15.862 1.00 0.00 C ATOM 2307 NE ARG B 445 11.513 17.815 -16.959 1.00 0.00 N ATOM 2308 CZ ARG B 445 12.314 17.084 -17.727 1.00 0.00 C ATOM 2309 NH1 ARG B 445 13.624 17.090 -17.521 1.00 0.00 N ATOM 2310 NH2 ARG B 445 11.804 16.345 -18.703 1.00 0.00 N ATOM 0 H ARG B 445 9.870 22.533 -14.137 1.00 0.00 H new ATOM 0 HA ARG B 445 12.449 21.294 -14.474 1.00 0.00 H new ATOM 0 HB2 ARG B 445 9.750 21.195 -15.714 1.00 0.00 H new ATOM 0 HB3 ARG B 445 11.084 20.855 -16.798 1.00 0.00 H new ATOM 0 HG2 ARG B 445 11.007 19.462 -14.133 1.00 0.00 H new ATOM 0 HG3 ARG B 445 9.913 18.927 -15.394 1.00 0.00 H new ATOM 0 HD2 ARG B 445 12.744 19.346 -16.236 1.00 0.00 H new ATOM 0 HD3 ARG B 445 12.476 18.028 -15.113 1.00 0.00 H new ATOM 0 HE ARG B 445 10.511 17.789 -17.146 1.00 0.00 H new ATOM 0 HH11 ARG B 445 14.020 17.657 -16.771 1.00 0.00 H new ATOM 0 HH12 ARG B 445 14.236 16.528 -18.112 1.00 0.00 H new ATOM 0 HH21 ARG B 445 10.797 16.338 -18.864 1.00 0.00 H new ATOM 0 HH22 ARG B 445 12.419 15.784 -19.292 1.00 0.00 H new