USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 368 MET CE :methyl -148:sc= -1.61 (180deg=-2.71!) USER MOD Set 1.2: B 369 ASN : amide:sc= -0.366 K(o=-2,f=-1.3) USER MOD Single : B 371 LYS NZ :NH3+ 176:sc= -3.37 (180deg=-3.46) USER MOD Single : B 373 GLN : amide:sc= -11.5! C(o=-11!,f=-6.2!) USER MOD Single : B 375 TYR OH : rot 180:sc= 0 USER MOD Single : B 376 SER OG : rot 130:sc= 0.776 USER MOD Single : B 380 TYR OH : rot 180:sc= 0 USER MOD Single : B 382 SER OG : rot 180:sc= 0 USER MOD Single : B 386 HIS : no HE2:sc= 0.579 K(o=0.58,f=-2.3!) USER MOD Single : B 387 TYR OH : rot 9:sc= -6.45! 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 120:sc= -6.54! USER MOD Single : B 399 ASN : amide:sc=-0.00499 X(o=-0.005,f=-0.005) USER MOD Single : B 400 SER OG : rot 180:sc= 0 USER MOD Single : B 404 CYS SG : rot -107:sc= -0.564 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= -2.49 K(o=-2.5,f=-1.5) USER MOD Single : B 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -3.18! C(o=-3.2!,f=-3.1!) USER MOD Single : B 435 LYS NZ :NH3+ 170:sc=-0.00945 (180deg=-0.161) USER MOD Single : B 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 437 MET CE :methyl 155:sc= -0.501 (180deg=-1.46) USER MOD Single : B 441 TYR OH : rot 165:sc= 0 USER MOD Single : B 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 444 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1069 N ASP B 367 -4.860 5.005 -16.589 1.00 0.00 N ATOM 1070 CA ASP B 367 -3.628 4.553 -15.954 1.00 0.00 C ATOM 1071 C ASP B 367 -2.413 5.069 -16.718 1.00 0.00 C ATOM 1072 O ASP B 367 -1.681 5.933 -16.232 1.00 0.00 O ATOM 1073 CB ASP B 367 -3.592 3.025 -15.884 1.00 0.00 C ATOM 1074 CG ASP B 367 -4.927 2.432 -15.485 1.00 0.00 C ATOM 1075 OD1 ASP B 367 -5.830 3.206 -15.100 1.00 0.00 O ATOM 1076 OD2 ASP B 367 -5.072 1.194 -15.557 1.00 0.00 O ATOM 0 HA ASP B 367 -3.600 4.952 -14.940 1.00 0.00 H new ATOM 0 HB2 ASP B 367 -3.297 2.627 -16.855 1.00 0.00 H new ATOM 0 HB3 ASP B 367 -2.831 2.715 -15.167 1.00 0.00 H new ATOM 1081 N MET B 368 -2.209 4.535 -17.920 1.00 0.00 N ATOM 1082 CA MET B 368 -1.089 4.943 -18.759 1.00 0.00 C ATOM 1083 C MET B 368 -0.889 6.451 -18.689 1.00 0.00 C ATOM 1084 O MET B 368 0.239 6.934 -18.592 1.00 0.00 O ATOM 1085 CB MET B 368 -1.328 4.512 -20.207 1.00 0.00 C ATOM 1086 CG MET B 368 -2.799 4.453 -20.587 1.00 0.00 C ATOM 1087 SD MET B 368 -3.112 5.072 -22.252 1.00 0.00 S ATOM 1088 CE MET B 368 -2.197 6.611 -22.217 1.00 0.00 C ATOM 0 H MET B 368 -2.806 3.819 -18.333 1.00 0.00 H new ATOM 0 HA MET B 368 -0.187 4.456 -18.389 1.00 0.00 H new ATOM 0 HB2 MET B 368 -0.816 5.206 -20.874 1.00 0.00 H new ATOM 0 HB3 MET B 368 -0.881 3.531 -20.364 1.00 0.00 H new ATOM 0 HG2 MET B 368 -3.148 3.423 -20.515 1.00 0.00 H new ATOM 0 HG3 MET B 368 -3.379 5.036 -19.872 1.00 0.00 H new ATOM 0 HE1 MET B 368 -2.694 7.344 -22.852 1.00 0.00 H new ATOM 0 HE2 MET B 368 -2.155 6.986 -21.194 1.00 0.00 H new ATOM 0 HE3 MET B 368 -1.185 6.441 -22.583 1.00 0.00 H new ATOM 1098 N ASN B 369 -1.992 7.193 -18.733 1.00 0.00 N ATOM 1099 CA ASN B 369 -1.935 8.646 -18.665 1.00 0.00 C ATOM 1100 C ASN B 369 -1.376 9.096 -17.322 1.00 0.00 C ATOM 1101 O ASN B 369 -0.634 10.075 -17.242 1.00 0.00 O ATOM 1102 CB ASN B 369 -3.325 9.245 -18.875 1.00 0.00 C ATOM 1103 CG ASN B 369 -3.536 9.730 -20.296 1.00 0.00 C ATOM 1104 OD1 ASN B 369 -3.247 10.881 -20.620 1.00 0.00 O ATOM 1105 ND2 ASN B 369 -4.041 8.850 -21.151 1.00 0.00 N ATOM 0 H ASN B 369 -2.934 6.811 -18.815 1.00 0.00 H new ATOM 0 HA ASN B 369 -1.275 8.999 -19.457 1.00 0.00 H new ATOM 0 HB2 ASN B 369 -4.080 8.497 -18.633 1.00 0.00 H new ATOM 0 HB3 ASN B 369 -3.467 10.077 -18.185 1.00 0.00 H new ATOM 0 HD21 ASN B 369 -4.204 9.118 -22.122 1.00 0.00 H new ATOM 0 HD22 ASN B 369 -4.266 7.906 -20.838 1.00 0.00 H new ATOM 1112 N ALA B 370 -1.734 8.370 -16.267 1.00 0.00 N ATOM 1113 CA ALA B 370 -1.265 8.691 -14.928 1.00 0.00 C ATOM 1114 C ALA B 370 0.231 8.430 -14.807 1.00 0.00 C ATOM 1115 O ALA B 370 1.033 9.364 -14.785 1.00 0.00 O ATOM 1116 CB ALA B 370 -2.031 7.901 -13.877 1.00 0.00 C ATOM 0 H ALA B 370 -2.347 7.556 -16.316 1.00 0.00 H new ATOM 0 HA ALA B 370 -1.447 9.751 -14.753 1.00 0.00 H new ATOM 0 HB1 ALA B 370 -1.660 8.160 -12.885 1.00 0.00 H new ATOM 0 HB2 ALA B 370 -3.092 8.142 -13.942 1.00 0.00 H new ATOM 0 HB3 ALA B 370 -1.890 6.834 -14.050 1.00 0.00 H new ATOM 1122 N LYS B 371 0.604 7.154 -14.735 1.00 0.00 N ATOM 1123 CA LYS B 371 2.009 6.777 -14.624 1.00 0.00 C ATOM 1124 C LYS B 371 2.874 7.710 -15.463 1.00 0.00 C ATOM 1125 O LYS B 371 3.927 8.176 -15.017 1.00 0.00 O ATOM 1126 CB LYS B 371 2.210 5.328 -15.079 1.00 0.00 C ATOM 1127 CG LYS B 371 1.202 4.871 -16.120 1.00 0.00 C ATOM 1128 CD LYS B 371 1.705 3.662 -16.892 1.00 0.00 C ATOM 1129 CE LYS B 371 0.932 2.404 -16.529 1.00 0.00 C ATOM 1130 NZ LYS B 371 -0.494 2.486 -16.946 1.00 0.00 N ATOM 0 H LYS B 371 -0.045 6.367 -14.752 1.00 0.00 H new ATOM 0 HA LYS B 371 2.308 6.862 -13.579 1.00 0.00 H new ATOM 0 HB2 LYS B 371 3.215 5.220 -15.487 1.00 0.00 H new ATOM 0 HB3 LYS B 371 2.146 4.672 -14.211 1.00 0.00 H new ATOM 0 HG2 LYS B 371 0.259 4.625 -15.631 1.00 0.00 H new ATOM 0 HG3 LYS B 371 0.998 5.687 -16.813 1.00 0.00 H new ATOM 0 HD2 LYS B 371 1.614 3.849 -17.962 1.00 0.00 H new ATOM 0 HD3 LYS B 371 2.764 3.512 -16.684 1.00 0.00 H new ATOM 0 HE2 LYS B 371 1.400 1.542 -17.004 1.00 0.00 H new ATOM 0 HE3 LYS B 371 0.986 2.243 -15.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 -0.968 1.583 -16.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 -0.965 3.251 -16.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 -0.547 2.681 -17.966 1.00 0.00 H new ATOM 1144 N ARG B 372 2.413 7.985 -16.679 1.00 0.00 N ATOM 1145 CA ARG B 372 3.128 8.866 -17.591 1.00 0.00 C ATOM 1146 C ARG B 372 3.193 10.282 -17.034 1.00 0.00 C ATOM 1147 O ARG B 372 4.228 10.935 -17.097 1.00 0.00 O ATOM 1148 CB ARG B 372 2.451 8.876 -18.962 1.00 0.00 C ATOM 1149 CG ARG B 372 3.402 9.181 -20.108 1.00 0.00 C ATOM 1150 CD ARG B 372 3.257 10.615 -20.588 1.00 0.00 C ATOM 1151 NE ARG B 372 4.346 11.002 -21.483 1.00 0.00 N ATOM 1152 CZ ARG B 372 4.209 11.861 -22.490 1.00 0.00 C ATOM 1153 NH1 ARG B 372 3.038 12.439 -22.725 1.00 0.00 N ATOM 1154 NH2 ARG B 372 5.249 12.146 -23.261 1.00 0.00 N ATOM 0 H ARG B 372 1.543 7.608 -17.055 1.00 0.00 H new ATOM 0 HA ARG B 372 4.145 8.488 -17.700 1.00 0.00 H new ATOM 0 HB2 ARG B 372 1.986 7.906 -19.135 1.00 0.00 H new ATOM 0 HB3 ARG B 372 1.651 9.617 -18.958 1.00 0.00 H new ATOM 0 HG2 ARG B 372 4.429 9.006 -19.786 1.00 0.00 H new ATOM 0 HG3 ARG B 372 3.207 8.498 -20.935 1.00 0.00 H new ATOM 0 HD2 ARG B 372 2.304 10.731 -21.104 1.00 0.00 H new ATOM 0 HD3 ARG B 372 3.237 11.285 -19.729 1.00 0.00 H new ATOM 0 HE ARG B 372 5.265 10.589 -21.326 1.00 0.00 H new ATOM 0 HH11 ARG B 372 2.236 12.226 -22.132 1.00 0.00 H new ATOM 0 HH12 ARG B 372 2.940 13.097 -23.499 1.00 0.00 H new ATOM 0 HH21 ARG B 372 6.152 11.707 -23.082 1.00 0.00 H new ATOM 0 HH22 ARG B 372 5.146 12.804 -24.033 1.00 0.00 H new ATOM 1168 N GLN B 373 2.087 10.756 -16.482 1.00 0.00 N ATOM 1169 CA GLN B 373 2.048 12.096 -15.918 1.00 0.00 C ATOM 1170 C GLN B 373 3.116 12.255 -14.840 1.00 0.00 C ATOM 1171 O GLN B 373 3.793 13.280 -14.760 1.00 0.00 O ATOM 1172 CB GLN B 373 0.665 12.392 -15.325 1.00 0.00 C ATOM 1173 CG GLN B 373 0.040 13.674 -15.858 1.00 0.00 C ATOM 1174 CD GLN B 373 0.998 14.849 -15.822 1.00 0.00 C ATOM 1175 OE1 GLN B 373 0.950 15.728 -16.682 1.00 0.00 O ATOM 1176 NE2 GLN B 373 1.875 14.868 -14.825 1.00 0.00 N ATOM 0 H GLN B 373 1.211 10.238 -16.413 1.00 0.00 H new ATOM 0 HA GLN B 373 2.247 12.806 -16.721 1.00 0.00 H new ATOM 0 HB2 GLN B 373 -0.001 11.556 -15.539 1.00 0.00 H new ATOM 0 HB3 GLN B 373 0.750 12.462 -14.241 1.00 0.00 H new ATOM 0 HG2 GLN B 373 -0.293 13.513 -16.883 1.00 0.00 H new ATOM 0 HG3 GLN B 373 -0.846 13.914 -15.270 1.00 0.00 H new ATOM 0 HE21 GLN B 373 1.878 14.117 -14.134 1.00 0.00 H new ATOM 0 HE22 GLN B 373 2.545 15.633 -14.750 1.00 0.00 H new ATOM 1185 N LEU B 374 3.242 11.234 -14.004 1.00 0.00 N ATOM 1186 CA LEU B 374 4.198 11.247 -12.902 1.00 0.00 C ATOM 1187 C LEU B 374 5.653 11.290 -13.368 1.00 0.00 C ATOM 1188 O LEU B 374 6.334 12.302 -13.206 1.00 0.00 O ATOM 1189 CB LEU B 374 3.996 10.022 -12.003 1.00 0.00 C ATOM 1190 CG LEU B 374 2.594 9.407 -12.029 1.00 0.00 C ATOM 1191 CD1 LEU B 374 2.503 8.238 -11.060 1.00 0.00 C ATOM 1192 CD2 LEU B 374 1.548 10.458 -11.697 1.00 0.00 C ATOM 0 H LEU B 374 2.690 10.379 -14.068 1.00 0.00 H new ATOM 0 HA LEU B 374 4.004 12.164 -12.345 1.00 0.00 H new ATOM 0 HB2 LEU B 374 4.715 9.256 -12.295 1.00 0.00 H new ATOM 0 HB3 LEU B 374 4.231 10.304 -10.977 1.00 0.00 H new ATOM 0 HG LEU B 374 2.401 9.033 -13.034 1.00 0.00 H new ATOM 0 HD11 LEU B 374 1.499 7.815 -11.094 1.00 0.00 H new ATOM 0 HD12 LEU B 374 3.228 7.475 -11.342 1.00 0.00 H new ATOM 0 HD13 LEU B 374 2.717 8.586 -10.049 1.00 0.00 H new ATOM 0 HD21 LEU B 374 0.557 10.005 -11.720 1.00 0.00 H new ATOM 0 HD22 LEU B 374 1.740 10.861 -10.703 1.00 0.00 H new ATOM 0 HD23 LEU B 374 1.596 11.263 -12.430 1.00 0.00 H new ATOM 1204 N TYR B 375 6.142 10.172 -13.897 1.00 0.00 N ATOM 1205 CA TYR B 375 7.538 10.075 -14.324 1.00 0.00 C ATOM 1206 C TYR B 375 7.799 10.716 -15.685 1.00 0.00 C ATOM 1207 O TYR B 375 8.928 11.107 -15.981 1.00 0.00 O ATOM 1208 CB TYR B 375 7.972 8.609 -14.350 1.00 0.00 C ATOM 1209 CG TYR B 375 8.437 8.098 -13.005 1.00 0.00 C ATOM 1210 CD1 TYR B 375 8.063 8.742 -11.833 1.00 0.00 C ATOM 1211 CD2 TYR B 375 9.246 6.972 -12.906 1.00 0.00 C ATOM 1212 CE1 TYR B 375 8.483 8.281 -10.599 1.00 0.00 C ATOM 1213 CE2 TYR B 375 9.671 6.505 -11.676 1.00 0.00 C ATOM 1214 CZ TYR B 375 9.286 7.162 -10.527 1.00 0.00 C ATOM 1215 OH TYR B 375 9.706 6.699 -9.301 1.00 0.00 O ATOM 0 H TYR B 375 5.596 9.322 -14.041 1.00 0.00 H new ATOM 0 HA TYR B 375 8.127 10.633 -13.596 1.00 0.00 H new ATOM 0 HB2 TYR B 375 7.139 7.997 -14.695 1.00 0.00 H new ATOM 0 HB3 TYR B 375 8.777 8.489 -15.075 1.00 0.00 H new ATOM 0 HD1 TYR B 375 7.433 9.618 -11.886 1.00 0.00 H new ATOM 0 HD2 TYR B 375 9.547 6.454 -13.804 1.00 0.00 H new ATOM 0 HE1 TYR B 375 8.184 8.794 -9.697 1.00 0.00 H new ATOM 0 HE2 TYR B 375 10.301 5.630 -11.616 1.00 0.00 H new ATOM 0 HH TYR B 375 10.263 5.903 -9.425 1.00 0.00 H new ATOM 1225 N SER B 376 6.776 10.807 -16.520 1.00 0.00 N ATOM 1226 CA SER B 376 6.942 11.384 -17.852 1.00 0.00 C ATOM 1227 C SER B 376 6.675 12.888 -17.871 1.00 0.00 C ATOM 1228 O SER B 376 7.272 13.612 -18.668 1.00 0.00 O ATOM 1229 CB SER B 376 6.031 10.681 -18.860 1.00 0.00 C ATOM 1230 OG SER B 376 6.676 10.526 -20.112 1.00 0.00 O ATOM 0 H SER B 376 5.829 10.493 -16.306 1.00 0.00 H new ATOM 0 HA SER B 376 7.983 11.231 -18.135 1.00 0.00 H new ATOM 0 HB2 SER B 376 5.742 9.704 -18.473 1.00 0.00 H new ATOM 0 HB3 SER B 376 5.114 11.257 -18.989 1.00 0.00 H new ATOM 0 HG SER B 376 6.596 9.595 -20.408 1.00 0.00 H new ATOM 1236 N LEU B 377 5.772 13.363 -17.014 1.00 0.00 N ATOM 1237 CA LEU B 377 5.450 14.787 -16.983 1.00 0.00 C ATOM 1238 C LEU B 377 5.944 15.457 -15.709 1.00 0.00 C ATOM 1239 O LEU B 377 5.972 16.684 -15.622 1.00 0.00 O ATOM 1240 CB LEU B 377 3.941 14.993 -17.111 1.00 0.00 C ATOM 1241 CG LEU B 377 3.413 15.055 -18.544 1.00 0.00 C ATOM 1242 CD1 LEU B 377 3.999 16.251 -19.277 1.00 0.00 C ATOM 1243 CD2 LEU B 377 3.731 13.764 -19.283 1.00 0.00 C ATOM 0 H LEU B 377 5.258 12.793 -16.342 1.00 0.00 H new ATOM 0 HA LEU B 377 5.960 15.249 -17.828 1.00 0.00 H new ATOM 0 HB2 LEU B 377 3.434 14.182 -16.589 1.00 0.00 H new ATOM 0 HB3 LEU B 377 3.672 15.918 -16.601 1.00 0.00 H new ATOM 0 HG LEU B 377 2.330 15.173 -18.509 1.00 0.00 H new ATOM 0 HD11 LEU B 377 3.612 16.279 -20.296 1.00 0.00 H new ATOM 0 HD12 LEU B 377 3.721 17.168 -18.758 1.00 0.00 H new ATOM 0 HD13 LEU B 377 5.085 16.165 -19.304 1.00 0.00 H new ATOM 0 HD21 LEU B 377 3.348 13.824 -20.302 1.00 0.00 H new ATOM 0 HD22 LEU B 377 4.811 13.616 -19.309 1.00 0.00 H new ATOM 0 HD23 LEU B 377 3.262 12.925 -18.768 1.00 0.00 H new ATOM 1255 N ILE B 378 6.321 14.660 -14.718 1.00 0.00 N ATOM 1256 CA ILE B 378 6.791 15.209 -13.453 1.00 0.00 C ATOM 1257 C ILE B 378 7.951 14.388 -12.875 1.00 0.00 C ATOM 1258 O ILE B 378 8.987 14.261 -13.524 1.00 0.00 O ATOM 1259 CB ILE B 378 5.628 15.304 -12.444 1.00 0.00 C ATOM 1260 CG1 ILE B 378 4.384 15.859 -13.134 1.00 0.00 C ATOM 1261 CG2 ILE B 378 6.014 16.182 -11.266 1.00 0.00 C ATOM 1262 CD1 ILE B 378 4.539 17.292 -13.592 1.00 0.00 C ATOM 0 H ILE B 378 6.311 13.641 -14.764 1.00 0.00 H new ATOM 0 HA ILE B 378 7.169 16.213 -13.645 1.00 0.00 H new ATOM 0 HB ILE B 378 5.408 14.305 -12.069 1.00 0.00 H new ATOM 0 HG12 ILE B 378 4.146 15.234 -13.995 1.00 0.00 H new ATOM 0 HG13 ILE B 378 3.538 15.794 -12.449 1.00 0.00 H new ATOM 0 HG21 ILE B 378 5.181 16.237 -10.565 1.00 0.00 H new ATOM 0 HG22 ILE B 378 6.883 15.756 -10.764 1.00 0.00 H new ATOM 0 HG23 ILE B 378 6.255 17.183 -11.622 1.00 0.00 H new ATOM 0 HD11 ILE B 378 3.618 17.622 -14.073 1.00 0.00 H new ATOM 0 HD12 ILE B 378 4.747 17.928 -12.732 1.00 0.00 H new ATOM 0 HD13 ILE B 378 5.364 17.360 -14.301 1.00 0.00 H new ATOM 1274 N GLY B 379 7.776 13.851 -11.656 1.00 0.00 N ATOM 1275 CA GLY B 379 8.814 13.062 -11.005 1.00 0.00 C ATOM 1276 C GLY B 379 9.935 12.630 -11.929 1.00 0.00 C ATOM 1277 O GLY B 379 9.942 11.503 -12.424 1.00 0.00 O ATOM 0 H GLY B 379 6.922 13.954 -11.108 1.00 0.00 H new ATOM 0 HA2 GLY B 379 9.237 13.643 -10.186 1.00 0.00 H new ATOM 0 HA3 GLY B 379 8.359 12.175 -10.565 1.00 0.00 H new ATOM 1281 N TYR B 380 10.887 13.527 -12.154 1.00 0.00 N ATOM 1282 CA TYR B 380 12.025 13.230 -13.018 1.00 0.00 C ATOM 1283 C TYR B 380 12.998 12.295 -12.309 1.00 0.00 C ATOM 1284 O TYR B 380 13.273 11.194 -12.785 1.00 0.00 O ATOM 1285 CB TYR B 380 12.742 14.518 -13.442 1.00 0.00 C ATOM 1286 CG TYR B 380 12.639 15.646 -12.439 1.00 0.00 C ATOM 1287 CD1 TYR B 380 11.562 16.523 -12.463 1.00 0.00 C ATOM 1288 CD2 TYR B 380 13.618 15.836 -11.472 1.00 0.00 C ATOM 1289 CE1 TYR B 380 11.463 17.556 -11.550 1.00 0.00 C ATOM 1290 CE2 TYR B 380 13.526 16.868 -10.556 1.00 0.00 C ATOM 1291 CZ TYR B 380 12.447 17.725 -10.600 1.00 0.00 C ATOM 1292 OH TYR B 380 12.351 18.753 -9.689 1.00 0.00 O ATOM 0 H TYR B 380 10.895 14.464 -11.752 1.00 0.00 H new ATOM 0 HA TYR B 380 11.651 12.736 -13.915 1.00 0.00 H new ATOM 0 HB2 TYR B 380 13.795 14.294 -13.613 1.00 0.00 H new ATOM 0 HB3 TYR B 380 12.329 14.854 -14.393 1.00 0.00 H new ATOM 0 HD1 TYR B 380 10.790 16.396 -13.207 1.00 0.00 H new ATOM 0 HD2 TYR B 380 14.465 15.167 -11.435 1.00 0.00 H new ATOM 0 HE1 TYR B 380 10.618 18.228 -11.581 1.00 0.00 H new ATOM 0 HE2 TYR B 380 14.295 17.002 -9.810 1.00 0.00 H new ATOM 0 HH TYR B 380 13.125 18.731 -9.088 1.00 0.00 H new ATOM 1302 N ALA B 381 13.503 12.741 -11.162 1.00 0.00 N ATOM 1303 CA ALA B 381 14.438 11.946 -10.369 1.00 0.00 C ATOM 1304 C ALA B 381 15.315 12.831 -9.485 1.00 0.00 C ATOM 1305 O ALA B 381 16.486 12.521 -9.255 1.00 0.00 O ATOM 1306 CB ALA B 381 15.314 11.078 -11.263 1.00 0.00 C ATOM 0 H ALA B 381 13.280 13.651 -10.759 1.00 0.00 H new ATOM 0 HA ALA B 381 13.843 11.299 -9.725 1.00 0.00 H new ATOM 0 HB1 ALA B 381 16.000 10.497 -10.647 1.00 0.00 H new ATOM 0 HB2 ALA B 381 14.685 10.402 -11.842 1.00 0.00 H new ATOM 0 HB3 ALA B 381 15.884 11.713 -11.941 1.00 0.00 H new ATOM 1312 N SER B 382 14.754 13.933 -8.989 1.00 0.00 N ATOM 1313 CA SER B 382 15.503 14.847 -8.135 1.00 0.00 C ATOM 1314 C SER B 382 14.576 15.588 -7.172 1.00 0.00 C ATOM 1315 O SER B 382 14.957 16.604 -6.591 1.00 0.00 O ATOM 1316 CB SER B 382 16.281 15.850 -8.989 1.00 0.00 C ATOM 1317 OG SER B 382 17.670 15.775 -8.722 1.00 0.00 O ATOM 0 H SER B 382 13.788 14.212 -9.164 1.00 0.00 H new ATOM 0 HA SER B 382 16.205 14.258 -7.545 1.00 0.00 H new ATOM 0 HB2 SER B 382 16.099 15.652 -10.045 1.00 0.00 H new ATOM 0 HB3 SER B 382 15.922 16.859 -8.788 1.00 0.00 H new ATOM 0 HG SER B 382 18.146 16.424 -9.281 1.00 0.00 H new ATOM 1323 N LEU B 383 13.364 15.070 -7.003 1.00 0.00 N ATOM 1324 CA LEU B 383 12.391 15.681 -6.102 1.00 0.00 C ATOM 1325 C LEU B 383 11.915 14.672 -5.060 1.00 0.00 C ATOM 1326 O LEU B 383 10.811 14.784 -4.528 1.00 0.00 O ATOM 1327 CB LEU B 383 11.195 16.226 -6.889 1.00 0.00 C ATOM 1328 CG LEU B 383 10.992 15.614 -8.274 1.00 0.00 C ATOM 1329 CD1 LEU B 383 10.888 14.102 -8.174 1.00 0.00 C ATOM 1330 CD2 LEU B 383 9.750 16.192 -8.935 1.00 0.00 C ATOM 0 H LEU B 383 13.032 14.230 -7.477 1.00 0.00 H new ATOM 0 HA LEU B 383 12.879 16.510 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU B 383 10.291 16.064 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU B 383 11.315 17.304 -7.000 1.00 0.00 H new ATOM 0 HG LEU B 383 11.856 15.861 -8.892 1.00 0.00 H new ATOM 0 HD11 LEU B 383 10.744 13.681 -9.169 1.00 0.00 H new ATOM 0 HD12 LEU B 383 11.805 13.702 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU B 383 10.041 13.837 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU B 383 9.621 15.745 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU B 383 8.876 15.975 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU B 383 9.862 17.271 -9.038 1.00 0.00 H new ATOM 1342 N ARG B 384 12.763 13.689 -4.774 1.00 0.00 N ATOM 1343 CA ARG B 384 12.448 12.655 -3.798 1.00 0.00 C ATOM 1344 C ARG B 384 10.973 12.275 -3.856 1.00 0.00 C ATOM 1345 O ARG B 384 10.332 12.079 -2.824 1.00 0.00 O ATOM 1346 CB ARG B 384 12.805 13.132 -2.390 1.00 0.00 C ATOM 1347 CG ARG B 384 11.798 14.109 -1.806 1.00 0.00 C ATOM 1348 CD ARG B 384 12.371 15.514 -1.722 1.00 0.00 C ATOM 1349 NE ARG B 384 13.375 15.631 -0.667 1.00 0.00 N ATOM 1350 CZ ARG B 384 14.293 16.590 -0.627 1.00 0.00 C ATOM 1351 NH1 ARG B 384 14.336 17.509 -1.582 1.00 0.00 N ATOM 1352 NH2 ARG B 384 15.169 16.631 0.367 1.00 0.00 N ATOM 0 H ARG B 384 13.680 13.588 -5.209 1.00 0.00 H new ATOM 0 HA ARG B 384 13.040 11.772 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG B 384 12.884 12.267 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG B 384 13.787 13.605 -2.414 1.00 0.00 H new ATOM 0 HG2 ARG B 384 10.899 14.118 -2.422 1.00 0.00 H new ATOM 0 HG3 ARG B 384 11.501 13.776 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG B 384 12.818 15.782 -2.680 1.00 0.00 H new ATOM 0 HD3 ARG B 384 11.565 16.224 -1.537 1.00 0.00 H new ATOM 0 HE ARG B 384 13.371 14.937 0.081 1.00 0.00 H new ATOM 0 HH11 ARG B 384 13.664 17.480 -2.348 1.00 0.00 H new ATOM 0 HH12 ARG B 384 15.041 18.245 -1.550 1.00 0.00 H new ATOM 0 HH21 ARG B 384 15.139 15.925 1.103 1.00 0.00 H new ATOM 0 HH22 ARG B 384 15.873 17.368 0.396 1.00 0.00 H new ATOM 1366 N LEU B 385 10.440 12.170 -5.066 1.00 0.00 N ATOM 1367 CA LEU B 385 9.042 11.812 -5.249 1.00 0.00 C ATOM 1368 C LEU B 385 8.801 10.370 -4.853 1.00 0.00 C ATOM 1369 O LEU B 385 9.550 9.473 -5.240 1.00 0.00 O ATOM 1370 CB LEU B 385 8.611 12.037 -6.695 1.00 0.00 C ATOM 1371 CG LEU B 385 7.151 12.450 -6.876 1.00 0.00 C ATOM 1372 CD1 LEU B 385 6.987 13.262 -8.149 1.00 0.00 C ATOM 1373 CD2 LEU B 385 6.248 11.223 -6.897 1.00 0.00 C ATOM 0 H LEU B 385 10.954 12.327 -5.933 1.00 0.00 H new ATOM 0 HA LEU B 385 8.444 12.455 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU B 385 9.248 12.806 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU B 385 8.786 11.120 -7.258 1.00 0.00 H new ATOM 0 HG LEU B 385 6.858 13.073 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU B 385 5.942 13.549 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU B 385 7.605 14.158 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU B 385 7.296 12.662 -9.005 1.00 0.00 H new ATOM 0 HD21 LEU B 385 5.212 11.536 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU B 385 6.537 10.573 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU B 385 6.348 10.681 -5.957 1.00 0.00 H new ATOM 1385 N HIS B 386 7.756 10.150 -4.069 1.00 0.00 N ATOM 1386 CA HIS B 386 7.434 8.807 -3.618 1.00 0.00 C ATOM 1387 C HIS B 386 6.064 8.735 -2.958 1.00 0.00 C ATOM 1388 O HIS B 386 5.713 9.567 -2.118 1.00 0.00 O ATOM 1389 CB HIS B 386 8.501 8.320 -2.638 1.00 0.00 C ATOM 1390 CG HIS B 386 8.409 8.963 -1.290 1.00 0.00 C ATOM 1391 ND1 HIS B 386 8.942 10.204 -1.010 1.00 0.00 N ATOM 1392 CD2 HIS B 386 7.840 8.531 -0.140 1.00 0.00 C ATOM 1393 CE1 HIS B 386 8.707 10.506 0.255 1.00 0.00 C ATOM 1394 NE2 HIS B 386 8.039 9.508 0.804 1.00 0.00 N ATOM 0 H HIS B 386 7.123 10.877 -3.735 1.00 0.00 H new ATOM 0 HA HIS B 386 7.411 8.164 -4.498 1.00 0.00 H new ATOM 0 HB2 HIS B 386 8.412 7.240 -2.524 1.00 0.00 H new ATOM 0 HB3 HIS B 386 9.487 8.516 -3.059 1.00 0.00 H new ATOM 0 HD1 HIS B 386 9.440 10.796 -1.675 1.00 0.00 H new ATOM 0 HD2 HIS B 386 7.326 7.593 0.007 1.00 0.00 H new ATOM 0 HE1 HIS B 386 9.010 11.414 0.755 1.00 0.00 H new ATOM 1403 N TYR B 387 5.310 7.707 -3.326 1.00 0.00 N ATOM 1404 CA TYR B 387 3.994 7.479 -2.755 1.00 0.00 C ATOM 1405 C TYR B 387 4.153 6.718 -1.453 1.00 0.00 C ATOM 1406 O TYR B 387 5.266 6.351 -1.076 1.00 0.00 O ATOM 1407 CB TYR B 387 3.121 6.657 -3.704 1.00 0.00 C ATOM 1408 CG TYR B 387 2.623 7.414 -4.909 1.00 0.00 C ATOM 1409 CD1 TYR B 387 3.429 8.337 -5.558 1.00 0.00 C ATOM 1410 CD2 TYR B 387 1.344 7.193 -5.403 1.00 0.00 C ATOM 1411 CE1 TYR B 387 2.975 9.018 -6.671 1.00 0.00 C ATOM 1412 CE2 TYR B 387 0.881 7.872 -6.512 1.00 0.00 C ATOM 1413 CZ TYR B 387 1.701 8.782 -7.144 1.00 0.00 C ATOM 1414 OH TYR B 387 1.249 9.452 -8.254 1.00 0.00 O ATOM 0 H TYR B 387 5.592 7.016 -4.021 1.00 0.00 H new ATOM 0 HA TYR B 387 3.514 8.443 -2.586 1.00 0.00 H new ATOM 0 HB2 TYR B 387 3.691 5.792 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR B 387 2.263 6.276 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR B 387 4.426 8.526 -5.188 1.00 0.00 H new ATOM 0 HD2 TYR B 387 0.701 6.478 -4.911 1.00 0.00 H new ATOM 0 HE1 TYR B 387 3.615 9.732 -7.168 1.00 0.00 H new ATOM 0 HE2 TYR B 387 -0.117 7.691 -6.882 1.00 0.00 H new ATOM 0 HH TYR B 387 1.991 9.942 -8.665 1.00 0.00 H new ATOM 1424 N VAL B 388 3.050 6.449 -0.779 1.00 0.00 N ATOM 1425 CA VAL B 388 3.115 5.696 0.461 1.00 0.00 C ATOM 1426 C VAL B 388 1.825 4.951 0.746 1.00 0.00 C ATOM 1427 O VAL B 388 0.801 5.549 1.080 1.00 0.00 O ATOM 1428 CB VAL B 388 3.477 6.576 1.666 1.00 0.00 C ATOM 1429 CG1 VAL B 388 4.830 6.156 2.204 1.00 0.00 C ATOM 1430 CG2 VAL B 388 3.472 8.049 1.291 1.00 0.00 C ATOM 0 H VAL B 388 2.113 6.735 -1.062 1.00 0.00 H new ATOM 0 HA VAL B 388 3.914 4.969 0.317 1.00 0.00 H new ATOM 0 HB VAL B 388 2.725 6.439 2.444 1.00 0.00 H new ATOM 0 HG11 VAL B 388 5.091 6.779 3.060 1.00 0.00 H new ATOM 0 HG12 VAL B 388 4.790 5.112 2.514 1.00 0.00 H new ATOM 0 HG13 VAL B 388 5.584 6.275 1.426 1.00 0.00 H new ATOM 0 HG21 VAL B 388 3.732 8.648 2.164 1.00 0.00 H new ATOM 0 HG22 VAL B 388 4.201 8.226 0.500 1.00 0.00 H new ATOM 0 HG23 VAL B 388 2.480 8.332 0.940 1.00 0.00 H new ATOM 1440 N THR B 389 1.897 3.635 0.605 1.00 0.00 N ATOM 1441 CA THR B 389 0.751 2.772 0.845 1.00 0.00 C ATOM 1442 C THR B 389 0.457 2.689 2.334 1.00 0.00 C ATOM 1443 O THR B 389 1.113 1.949 3.067 1.00 0.00 O ATOM 1444 CB THR B 389 0.987 1.350 0.293 1.00 0.00 C ATOM 1445 OG1 THR B 389 0.826 1.310 -1.130 1.00 0.00 O ATOM 1446 CG2 THR B 389 0.018 0.351 0.913 1.00 0.00 C ATOM 0 H THR B 389 2.743 3.140 0.324 1.00 0.00 H new ATOM 0 HA THR B 389 -0.101 3.208 0.324 1.00 0.00 H new ATOM 0 HB THR B 389 2.011 1.080 0.553 1.00 0.00 H new ATOM 0 HG1 THR B 389 0.983 0.398 -1.451 1.00 0.00 H new ATOM 0 HG21 THR B 389 0.208 -0.642 0.505 1.00 0.00 H new ATOM 0 HG22 THR B 389 0.157 0.332 1.994 1.00 0.00 H new ATOM 0 HG23 THR B 389 -1.006 0.647 0.684 1.00 0.00 H new ATOM 1454 N VAL B 390 -0.528 3.453 2.776 1.00 0.00 N ATOM 1455 CA VAL B 390 -0.904 3.466 4.178 1.00 0.00 C ATOM 1456 C VAL B 390 -2.238 2.763 4.395 1.00 0.00 C ATOM 1457 O VAL B 390 -3.113 2.765 3.522 1.00 0.00 O ATOM 1458 CB VAL B 390 -0.986 4.902 4.723 1.00 0.00 C ATOM 1459 CG1 VAL B 390 0.357 5.600 4.579 1.00 0.00 C ATOM 1460 CG2 VAL B 390 -2.079 5.679 4.011 1.00 0.00 C ATOM 0 H VAL B 390 -1.081 4.072 2.183 1.00 0.00 H new ATOM 0 HA VAL B 390 -0.127 2.929 4.722 1.00 0.00 H new ATOM 0 HB VAL B 390 -1.236 4.859 5.783 1.00 0.00 H new ATOM 0 HG11 VAL B 390 0.283 6.615 4.969 1.00 0.00 H new ATOM 0 HG12 VAL B 390 1.114 5.051 5.138 1.00 0.00 H new ATOM 0 HG13 VAL B 390 0.638 5.635 3.526 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -2.123 6.693 4.409 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -1.862 5.717 2.944 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -3.038 5.185 4.169 1.00 0.00 H new ATOM 1470 N LYS B 391 -2.378 2.152 5.563 1.00 0.00 N ATOM 1471 CA LYS B 391 -3.591 1.433 5.909 1.00 0.00 C ATOM 1472 C LYS B 391 -3.583 0.044 5.281 1.00 0.00 C ATOM 1473 O LYS B 391 -4.502 -0.317 4.545 1.00 0.00 O ATOM 1474 CB LYS B 391 -4.817 2.214 5.442 1.00 0.00 C ATOM 1475 CG LYS B 391 -6.108 1.793 6.127 1.00 0.00 C ATOM 1476 CD LYS B 391 -5.913 1.619 7.625 1.00 0.00 C ATOM 1477 CE LYS B 391 -7.175 1.972 8.396 1.00 0.00 C ATOM 1478 NZ LYS B 391 -6.982 1.841 9.867 1.00 0.00 N ATOM 0 H LYS B 391 -1.661 2.141 6.289 1.00 0.00 H new ATOM 0 HA LYS B 391 -3.634 1.325 6.993 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -4.650 3.276 5.622 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -4.929 2.087 4.365 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -6.879 2.541 5.944 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -6.463 0.858 5.694 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -5.631 0.588 7.839 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -5.091 2.251 7.962 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -7.472 2.994 8.158 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -7.989 1.321 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -7.865 2.090 10.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -6.724 0.860 10.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -6.222 2.481 10.176 1.00 0.00 H new ATOM 1492 N LYS B 392 -2.536 -0.726 5.575 1.00 0.00 N ATOM 1493 CA LYS B 392 -2.403 -2.076 5.039 1.00 0.00 C ATOM 1494 C LYS B 392 -3.770 -2.732 4.897 1.00 0.00 C ATOM 1495 O LYS B 392 -4.586 -2.694 5.817 1.00 0.00 O ATOM 1496 CB LYS B 392 -1.498 -2.919 5.938 1.00 0.00 C ATOM 1497 CG LYS B 392 -0.028 -2.536 5.848 1.00 0.00 C ATOM 1498 CD LYS B 392 0.798 -3.636 5.202 1.00 0.00 C ATOM 1499 CE LYS B 392 0.455 -3.798 3.730 1.00 0.00 C ATOM 1500 NZ LYS B 392 1.096 -5.004 3.138 1.00 0.00 N ATOM 0 H LYS B 392 -1.769 -0.436 6.181 1.00 0.00 H new ATOM 0 HA LYS B 392 -1.948 -2.011 4.051 1.00 0.00 H new ATOM 0 HB2 LYS B 392 -1.829 -2.818 6.971 1.00 0.00 H new ATOM 0 HB3 LYS B 392 -1.609 -3.970 5.669 1.00 0.00 H new ATOM 0 HG2 LYS B 392 0.074 -1.617 5.271 1.00 0.00 H new ATOM 0 HG3 LYS B 392 0.357 -2.330 6.847 1.00 0.00 H new ATOM 0 HD2 LYS B 392 1.858 -3.405 5.306 1.00 0.00 H new ATOM 0 HD3 LYS B 392 0.624 -4.577 5.723 1.00 0.00 H new ATOM 0 HE2 LYS B 392 -0.627 -3.869 3.615 1.00 0.00 H new ATOM 0 HE3 LYS B 392 0.776 -2.911 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 392 0.837 -5.077 2.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 392 2.129 -4.925 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 392 0.770 -5.853 3.642 1.00 0.00 H new ATOM 1514 N PRO B 393 -4.044 -3.322 3.727 1.00 0.00 N ATOM 1515 CA PRO B 393 -5.328 -3.966 3.452 1.00 0.00 C ATOM 1516 C PRO B 393 -5.707 -5.005 4.500 1.00 0.00 C ATOM 1517 O PRO B 393 -4.925 -5.309 5.400 1.00 0.00 O ATOM 1518 CB PRO B 393 -5.118 -4.628 2.089 1.00 0.00 C ATOM 1519 CG PRO B 393 -4.017 -3.853 1.452 1.00 0.00 C ATOM 1520 CD PRO B 393 -3.129 -3.388 2.573 1.00 0.00 C ATOM 0 HA PRO B 393 -6.146 -3.246 3.468 1.00 0.00 H new ATOM 0 HB2 PRO B 393 -4.850 -5.679 2.197 1.00 0.00 H new ATOM 0 HB3 PRO B 393 -6.026 -4.591 1.488 1.00 0.00 H new ATOM 0 HG2 PRO B 393 -3.462 -4.472 0.747 1.00 0.00 H new ATOM 0 HG3 PRO B 393 -4.411 -3.006 0.891 1.00 0.00 H new ATOM 0 HD2 PRO B 393 -2.308 -4.083 2.750 1.00 0.00 H new ATOM 0 HD3 PRO B 393 -2.684 -2.417 2.357 1.00 0.00 H new ATOM 1528 N THR B 394 -6.917 -5.548 4.375 1.00 0.00 N ATOM 1529 CA THR B 394 -7.398 -6.554 5.317 1.00 0.00 C ATOM 1530 C THR B 394 -8.192 -7.650 4.609 1.00 0.00 C ATOM 1531 O THR B 394 -8.809 -7.411 3.571 1.00 0.00 O ATOM 1532 CB THR B 394 -8.281 -5.920 6.409 1.00 0.00 C ATOM 1533 OG1 THR B 394 -9.624 -5.731 5.949 1.00 0.00 O ATOM 1534 CG2 THR B 394 -7.726 -4.572 6.838 1.00 0.00 C ATOM 0 H THR B 394 -7.578 -5.309 3.635 1.00 0.00 H new ATOM 0 HA THR B 394 -6.516 -6.997 5.779 1.00 0.00 H new ATOM 0 HB THR B 394 -8.282 -6.607 7.255 1.00 0.00 H new ATOM 0 HG1 THR B 394 -10.239 -6.238 6.519 1.00 0.00 H new ATOM 0 HG21 THR B 394 -8.366 -4.144 7.609 1.00 0.00 H new ATOM 0 HG22 THR B 394 -6.719 -4.702 7.233 1.00 0.00 H new ATOM 0 HG23 THR B 394 -7.695 -3.901 5.979 1.00 0.00 H new ATOM 1542 N ALA B 395 -8.172 -8.853 5.183 1.00 0.00 N ATOM 1543 CA ALA B 395 -8.891 -9.989 4.612 1.00 0.00 C ATOM 1544 C ALA B 395 -10.389 -9.892 4.896 1.00 0.00 C ATOM 1545 O ALA B 395 -11.177 -10.696 4.401 1.00 0.00 O ATOM 1546 CB ALA B 395 -8.340 -11.304 5.144 1.00 0.00 C ATOM 0 H ALA B 395 -7.666 -9.065 6.043 1.00 0.00 H new ATOM 0 HA ALA B 395 -8.744 -9.962 3.532 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -8.892 -12.134 4.704 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -7.286 -11.389 4.881 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -8.447 -11.331 6.228 1.00 0.00 H new ATOM 1552 N VAL B 396 -10.771 -8.892 5.683 1.00 0.00 N ATOM 1553 CA VAL B 396 -12.169 -8.666 6.021 1.00 0.00 C ATOM 1554 C VAL B 396 -12.567 -7.243 5.669 1.00 0.00 C ATOM 1555 O VAL B 396 -13.649 -6.771 6.023 1.00 0.00 O ATOM 1556 CB VAL B 396 -12.434 -8.907 7.517 1.00 0.00 C ATOM 1557 CG1 VAL B 396 -12.142 -10.352 7.887 1.00 0.00 C ATOM 1558 CG2 VAL B 396 -11.601 -7.954 8.359 1.00 0.00 C ATOM 0 H VAL B 396 -10.126 -8.221 6.101 1.00 0.00 H new ATOM 0 HA VAL B 396 -12.765 -9.374 5.445 1.00 0.00 H new ATOM 0 HB VAL B 396 -13.488 -8.714 7.719 1.00 0.00 H new ATOM 0 HG11 VAL B 396 -12.336 -10.502 8.949 1.00 0.00 H new ATOM 0 HG12 VAL B 396 -12.783 -11.013 7.304 1.00 0.00 H new ATOM 0 HG13 VAL B 396 -11.097 -10.578 7.673 1.00 0.00 H new ATOM 0 HG21 VAL B 396 -11.798 -8.135 9.416 1.00 0.00 H new ATOM 0 HG22 VAL B 396 -10.543 -8.117 8.154 1.00 0.00 H new ATOM 0 HG23 VAL B 396 -11.864 -6.925 8.112 1.00 0.00 H new ATOM 1568 N ASP B 397 -11.670 -6.571 4.967 1.00 0.00 N ATOM 1569 CA ASP B 397 -11.877 -5.198 4.541 1.00 0.00 C ATOM 1570 C ASP B 397 -10.655 -4.709 3.773 1.00 0.00 C ATOM 1571 O ASP B 397 -9.968 -3.779 4.197 1.00 0.00 O ATOM 1572 CB ASP B 397 -12.143 -4.295 5.746 1.00 0.00 C ATOM 1573 CG ASP B 397 -13.624 -4.073 5.985 1.00 0.00 C ATOM 1574 OD1 ASP B 397 -14.440 -4.673 5.254 1.00 0.00 O ATOM 1575 OD2 ASP B 397 -13.967 -3.298 6.903 1.00 0.00 O ATOM 0 H ASP B 397 -10.775 -6.964 4.676 1.00 0.00 H new ATOM 0 HA ASP B 397 -12.749 -5.160 3.888 1.00 0.00 H new ATOM 0 HB2 ASP B 397 -11.697 -4.740 6.636 1.00 0.00 H new ATOM 0 HB3 ASP B 397 -11.654 -3.333 5.591 1.00 0.00 H new ATOM 1580 N PRO B 398 -10.369 -5.345 2.627 1.00 0.00 N ATOM 1581 CA PRO B 398 -9.234 -5.001 1.783 1.00 0.00 C ATOM 1582 C PRO B 398 -8.884 -3.520 1.847 1.00 0.00 C ATOM 1583 O PRO B 398 -7.818 -3.159 2.325 1.00 0.00 O ATOM 1584 CB PRO B 398 -9.740 -5.398 0.401 1.00 0.00 C ATOM 1585 CG PRO B 398 -10.599 -6.596 0.650 1.00 0.00 C ATOM 1586 CD PRO B 398 -11.141 -6.462 2.057 1.00 0.00 C ATOM 0 HA PRO B 398 -8.311 -5.499 2.081 1.00 0.00 H new ATOM 0 HB2 PRO B 398 -10.308 -4.591 -0.061 1.00 0.00 H new ATOM 0 HB3 PRO B 398 -8.915 -5.633 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO B 398 -11.412 -6.646 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO B 398 -10.021 -7.514 0.544 1.00 0.00 H new ATOM 0 HD2 PRO B 398 -12.210 -6.249 2.055 1.00 0.00 H new ATOM 0 HD3 PRO B 398 -10.999 -7.379 2.629 1.00 0.00 H new ATOM 1594 N ASN B 399 -9.793 -2.686 1.353 1.00 0.00 N ATOM 1595 CA ASN B 399 -9.627 -1.225 1.325 1.00 0.00 C ATOM 1596 C ASN B 399 -8.229 -0.772 1.748 1.00 0.00 C ATOM 1597 O ASN B 399 -7.822 -0.951 2.896 1.00 0.00 O ATOM 1598 CB ASN B 399 -10.672 -0.557 2.218 1.00 0.00 C ATOM 1599 CG ASN B 399 -12.087 -0.956 1.847 1.00 0.00 C ATOM 1600 OD1 ASN B 399 -12.628 -1.928 2.374 1.00 0.00 O ATOM 1601 ND2 ASN B 399 -12.692 -0.209 0.932 1.00 0.00 N ATOM 0 H ASN B 399 -10.677 -3.002 0.955 1.00 0.00 H new ATOM 0 HA ASN B 399 -9.765 -0.919 0.288 1.00 0.00 H new ATOM 0 HB2 ASN B 399 -10.482 -0.824 3.258 1.00 0.00 H new ATOM 0 HB3 ASN B 399 -10.571 0.526 2.144 1.00 0.00 H new ATOM 0 HD21 ASN B 399 -13.643 -0.432 0.639 1.00 0.00 H new ATOM 0 HD22 ASN B 399 -12.206 0.588 0.521 1.00 0.00 H new ATOM 1608 N SER B 400 -7.516 -0.146 0.817 1.00 0.00 N ATOM 1609 CA SER B 400 -6.180 0.371 1.084 1.00 0.00 C ATOM 1610 C SER B 400 -6.060 1.784 0.531 1.00 0.00 C ATOM 1611 O SER B 400 -6.725 2.127 -0.449 1.00 0.00 O ATOM 1612 CB SER B 400 -5.118 -0.530 0.456 1.00 0.00 C ATOM 1613 OG SER B 400 -4.046 0.234 -0.071 1.00 0.00 O ATOM 0 H SER B 400 -7.845 0.016 -0.135 1.00 0.00 H new ATOM 0 HA SER B 400 -6.019 0.389 2.162 1.00 0.00 H new ATOM 0 HB2 SER B 400 -4.739 -1.226 1.204 1.00 0.00 H new ATOM 0 HB3 SER B 400 -5.567 -1.128 -0.337 1.00 0.00 H new ATOM 0 HG SER B 400 -3.379 -0.366 -0.466 1.00 0.00 H new ATOM 1619 N ILE B 401 -5.236 2.614 1.162 1.00 0.00 N ATOM 1620 CA ILE B 401 -5.084 3.984 0.712 1.00 0.00 C ATOM 1621 C ILE B 401 -3.624 4.364 0.482 1.00 0.00 C ATOM 1622 O ILE B 401 -2.765 4.152 1.338 1.00 0.00 O ATOM 1623 CB ILE B 401 -5.709 4.954 1.722 1.00 0.00 C ATOM 1624 CG1 ILE B 401 -5.559 6.402 1.250 1.00 0.00 C ATOM 1625 CG2 ILE B 401 -5.077 4.764 3.085 1.00 0.00 C ATOM 1626 CD1 ILE B 401 -6.754 6.912 0.478 1.00 0.00 C ATOM 0 H ILE B 401 -4.673 2.363 1.974 1.00 0.00 H new ATOM 0 HA ILE B 401 -5.603 4.058 -0.244 1.00 0.00 H new ATOM 0 HB ILE B 401 -6.774 4.737 1.799 1.00 0.00 H new ATOM 0 HG12 ILE B 401 -5.396 7.043 2.116 1.00 0.00 H new ATOM 0 HG13 ILE B 401 -4.671 6.481 0.623 1.00 0.00 H new ATOM 0 HG21 ILE B 401 -5.528 5.457 3.795 1.00 0.00 H new ATOM 0 HG22 ILE B 401 -5.241 3.741 3.423 1.00 0.00 H new ATOM 0 HG23 ILE B 401 -4.006 4.957 3.020 1.00 0.00 H new ATOM 0 HD11 ILE B 401 -6.578 7.944 0.175 1.00 0.00 H new ATOM 0 HD12 ILE B 401 -6.905 6.295 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE B 401 -7.642 6.865 1.109 1.00 0.00 H new ATOM 1638 N VAL B 402 -3.367 4.936 -0.687 1.00 0.00 N ATOM 1639 CA VAL B 402 -2.033 5.372 -1.069 1.00 0.00 C ATOM 1640 C VAL B 402 -1.820 6.826 -0.667 1.00 0.00 C ATOM 1641 O VAL B 402 -2.787 7.560 -0.442 1.00 0.00 O ATOM 1642 CB VAL B 402 -1.826 5.236 -2.589 1.00 0.00 C ATOM 1643 CG1 VAL B 402 -0.378 4.909 -2.913 1.00 0.00 C ATOM 1644 CG2 VAL B 402 -2.761 4.177 -3.155 1.00 0.00 C ATOM 0 H VAL B 402 -4.079 5.110 -1.396 1.00 0.00 H new ATOM 0 HA VAL B 402 -1.313 4.737 -0.553 1.00 0.00 H new ATOM 0 HB VAL B 402 -2.063 6.192 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL B 402 -0.258 4.818 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL B 402 0.267 5.706 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL B 402 -0.102 3.968 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL B 402 -2.605 4.091 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL B 402 -2.554 3.218 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL B 402 -3.795 4.463 -2.961 1.00 0.00 H new ATOM 1654 N GLU B 403 -0.560 7.245 -0.599 1.00 0.00 N ATOM 1655 CA GLU B 403 -0.236 8.618 -0.239 1.00 0.00 C ATOM 1656 C GLU B 403 0.891 9.164 -1.105 1.00 0.00 C ATOM 1657 O GLU B 403 2.069 8.952 -0.819 1.00 0.00 O ATOM 1658 CB GLU B 403 0.152 8.701 1.237 1.00 0.00 C ATOM 1659 CG GLU B 403 -1.013 9.037 2.150 1.00 0.00 C ATOM 1660 CD GLU B 403 -0.703 10.185 3.090 1.00 0.00 C ATOM 1661 OE1 GLU B 403 0.382 10.169 3.709 1.00 0.00 O ATOM 1662 OE2 GLU B 403 -1.544 11.100 3.207 1.00 0.00 O ATOM 0 H GLU B 403 0.250 6.654 -0.788 1.00 0.00 H new ATOM 0 HA GLU B 403 -1.123 9.228 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU B 403 0.583 7.748 1.546 1.00 0.00 H new ATOM 0 HB3 GLU B 403 0.929 9.456 1.359 1.00 0.00 H new ATOM 0 HG2 GLU B 403 -1.883 9.292 1.545 1.00 0.00 H new ATOM 0 HG3 GLU B 403 -1.279 8.156 2.734 1.00 0.00 H new ATOM 1669 N CYS B 404 0.522 9.890 -2.153 1.00 0.00 N ATOM 1670 CA CYS B 404 1.508 10.490 -3.040 1.00 0.00 C ATOM 1671 C CYS B 404 2.067 11.727 -2.364 1.00 0.00 C ATOM 1672 O CYS B 404 1.352 12.707 -2.160 1.00 0.00 O ATOM 1673 CB CYS B 404 0.900 10.852 -4.402 1.00 0.00 C ATOM 1674 SG CYS B 404 -0.661 10.020 -4.779 1.00 0.00 S ATOM 0 H CYS B 404 -0.448 10.076 -2.408 1.00 0.00 H new ATOM 0 HA CYS B 404 2.303 9.769 -3.229 1.00 0.00 H new ATOM 0 HB2 CYS B 404 0.739 11.930 -4.438 1.00 0.00 H new ATOM 0 HB3 CYS B 404 1.622 10.611 -5.182 1.00 0.00 H new ATOM 0 HG CYS B 404 -0.460 9.112 -5.688 1.00 0.00 H new ATOM 1680 N ARG B 405 3.339 11.675 -2.001 1.00 0.00 N ATOM 1681 CA ARG B 405 3.968 12.797 -1.326 1.00 0.00 C ATOM 1682 C ARG B 405 5.440 12.920 -1.698 1.00 0.00 C ATOM 1683 O ARG B 405 6.047 11.981 -2.214 1.00 0.00 O ATOM 1684 CB ARG B 405 3.811 12.641 0.187 1.00 0.00 C ATOM 1685 CG ARG B 405 4.084 13.919 0.965 1.00 0.00 C ATOM 1686 CD ARG B 405 3.716 13.771 2.432 1.00 0.00 C ATOM 1687 NE ARG B 405 4.261 12.548 3.012 1.00 0.00 N ATOM 1688 CZ ARG B 405 4.108 12.204 4.286 1.00 0.00 C ATOM 1689 NH1 ARG B 405 3.415 12.982 5.106 1.00 0.00 N ATOM 1690 NH2 ARG B 405 4.644 11.079 4.740 1.00 0.00 N ATOM 0 H ARG B 405 3.951 10.875 -2.161 1.00 0.00 H new ATOM 0 HA ARG B 405 3.472 13.712 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG B 405 2.798 12.303 0.405 1.00 0.00 H new ATOM 0 HB3 ARG B 405 4.489 11.862 0.535 1.00 0.00 H new ATOM 0 HG2 ARG B 405 5.139 14.180 0.879 1.00 0.00 H new ATOM 0 HG3 ARG B 405 3.516 14.740 0.528 1.00 0.00 H new ATOM 0 HD2 ARG B 405 4.087 14.632 2.987 1.00 0.00 H new ATOM 0 HD3 ARG B 405 2.631 13.769 2.535 1.00 0.00 H new ATOM 0 HE ARG B 405 4.789 11.922 2.405 1.00 0.00 H new ATOM 0 HH11 ARG B 405 2.998 13.846 4.759 1.00 0.00 H new ATOM 0 HH12 ARG B 405 3.298 12.717 6.084 1.00 0.00 H new ATOM 0 HH21 ARG B 405 5.175 10.477 4.111 1.00 0.00 H new ATOM 0 HH22 ARG B 405 4.526 10.816 5.718 1.00 0.00 H new ATOM 1704 N VAL B 406 5.998 14.098 -1.445 1.00 0.00 N ATOM 1705 CA VAL B 406 7.392 14.374 -1.761 1.00 0.00 C ATOM 1706 C VAL B 406 8.114 14.986 -0.570 1.00 0.00 C ATOM 1707 O VAL B 406 7.632 15.950 0.021 1.00 0.00 O ATOM 1708 CB VAL B 406 7.500 15.339 -2.955 1.00 0.00 C ATOM 1709 CG1 VAL B 406 7.764 14.574 -4.236 1.00 0.00 C ATOM 1710 CG2 VAL B 406 6.233 16.166 -3.085 1.00 0.00 C ATOM 0 H VAL B 406 5.502 14.881 -1.019 1.00 0.00 H new ATOM 0 HA VAL B 406 7.860 13.423 -2.015 1.00 0.00 H new ATOM 0 HB VAL B 406 8.338 16.013 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL B 406 7.837 15.273 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL B 406 8.699 14.021 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL B 406 6.946 13.877 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL B 406 6.326 16.843 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL B 406 5.381 15.504 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL B 406 6.081 16.745 -2.174 1.00 0.00 H new ATOM 1720 N GLY B 407 9.262 14.408 -0.213 1.00 0.00 N ATOM 1721 CA GLY B 407 10.033 14.896 0.919 1.00 0.00 C ATOM 1722 C GLY B 407 9.880 16.386 1.164 1.00 0.00 C ATOM 1723 O GLY B 407 9.893 16.834 2.310 1.00 0.00 O ATOM 0 H GLY B 407 9.672 13.606 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY B 407 9.728 14.356 1.815 1.00 0.00 H new ATOM 0 HA3 GLY B 407 11.087 14.670 0.754 1.00 0.00 H new ATOM 1727 N ASP B 408 9.731 17.156 0.091 1.00 0.00 N ATOM 1728 CA ASP B 408 9.573 18.600 0.211 1.00 0.00 C ATOM 1729 C ASP B 408 8.407 18.931 1.131 1.00 0.00 C ATOM 1730 O ASP B 408 8.296 20.046 1.639 1.00 0.00 O ATOM 1731 CB ASP B 408 9.347 19.228 -1.167 1.00 0.00 C ATOM 1732 CG ASP B 408 10.621 19.798 -1.759 1.00 0.00 C ATOM 1733 OD1 ASP B 408 11.670 19.735 -1.085 1.00 0.00 O ATOM 1734 OD2 ASP B 408 10.568 20.309 -2.897 1.00 0.00 O ATOM 0 H ASP B 408 9.716 16.806 -0.867 1.00 0.00 H new ATOM 0 HA ASP B 408 10.487 19.012 0.639 1.00 0.00 H new ATOM 0 HB2 ASP B 408 8.940 18.476 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP B 408 8.602 20.019 -1.085 1.00 0.00 H new ATOM 1739 N GLY B 409 7.540 17.947 1.335 1.00 0.00 N ATOM 1740 CA GLY B 409 6.387 18.134 2.186 1.00 0.00 C ATOM 1741 C GLY B 409 5.137 18.415 1.385 1.00 0.00 C ATOM 1742 O GLY B 409 4.255 19.151 1.830 1.00 0.00 O ATOM 0 H GLY B 409 7.618 17.018 0.922 1.00 0.00 H new ATOM 0 HA2 GLY B 409 6.236 17.242 2.794 1.00 0.00 H new ATOM 0 HA3 GLY B 409 6.572 18.960 2.872 1.00 0.00 H new ATOM 1746 N THR B 410 5.063 17.833 0.194 1.00 0.00 N ATOM 1747 CA THR B 410 3.916 18.034 -0.678 1.00 0.00 C ATOM 1748 C THR B 410 3.244 16.709 -1.035 1.00 0.00 C ATOM 1749 O THR B 410 3.868 15.817 -1.611 1.00 0.00 O ATOM 1750 CB THR B 410 4.323 18.763 -1.974 1.00 0.00 C ATOM 1751 OG1 THR B 410 4.737 20.110 -1.708 1.00 0.00 O ATOM 1752 CG2 THR B 410 3.169 18.804 -2.962 1.00 0.00 C ATOM 0 H THR B 410 5.783 17.220 -0.188 1.00 0.00 H new ATOM 0 HA THR B 410 3.206 18.651 -0.128 1.00 0.00 H new ATOM 0 HB THR B 410 5.156 18.204 -2.400 1.00 0.00 H new ATOM 0 HG1 THR B 410 4.991 20.546 -2.548 1.00 0.00 H new ATOM 0 HG21 THR B 410 3.483 19.324 -3.867 1.00 0.00 H new ATOM 0 HG22 THR B 410 2.869 17.787 -3.213 1.00 0.00 H new ATOM 0 HG23 THR B 410 2.326 19.331 -2.515 1.00 0.00 H new ATOM 1760 N VAL B 411 1.963 16.599 -0.697 1.00 0.00 N ATOM 1761 CA VAL B 411 1.185 15.398 -0.985 1.00 0.00 C ATOM 1762 C VAL B 411 0.516 15.512 -2.348 1.00 0.00 C ATOM 1763 O VAL B 411 -0.643 15.914 -2.451 1.00 0.00 O ATOM 1764 CB VAL B 411 0.103 15.164 0.086 1.00 0.00 C ATOM 1765 CG1 VAL B 411 -0.612 13.842 -0.152 1.00 0.00 C ATOM 1766 CG2 VAL B 411 0.718 15.199 1.475 1.00 0.00 C ATOM 0 H VAL B 411 1.438 17.332 -0.220 1.00 0.00 H new ATOM 0 HA VAL B 411 1.874 14.554 -0.982 1.00 0.00 H new ATOM 0 HB VAL B 411 -0.633 15.965 0.014 1.00 0.00 H new ATOM 0 HG11 VAL B 411 -1.372 13.696 0.615 1.00 0.00 H new ATOM 0 HG12 VAL B 411 -1.085 13.856 -1.134 1.00 0.00 H new ATOM 0 HG13 VAL B 411 0.109 13.026 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL B 411 -0.059 15.032 2.221 1.00 0.00 H new ATOM 0 HG22 VAL B 411 1.474 14.418 1.558 1.00 0.00 H new ATOM 0 HG23 VAL B 411 1.180 16.172 1.644 1.00 0.00 H new ATOM 1776 N LEU B 412 1.256 15.161 -3.397 1.00 0.00 N ATOM 1777 CA LEU B 412 0.737 15.232 -4.758 1.00 0.00 C ATOM 1778 C LEU B 412 -0.690 14.701 -4.836 1.00 0.00 C ATOM 1779 O LEU B 412 -1.441 15.057 -5.744 1.00 0.00 O ATOM 1780 CB LEU B 412 1.634 14.451 -5.723 1.00 0.00 C ATOM 1781 CG LEU B 412 3.134 14.779 -5.661 1.00 0.00 C ATOM 1782 CD1 LEU B 412 3.392 16.082 -4.915 1.00 0.00 C ATOM 1783 CD2 LEU B 412 3.897 13.636 -5.008 1.00 0.00 C ATOM 0 H LEU B 412 2.217 14.825 -3.329 1.00 0.00 H new ATOM 0 HA LEU B 412 0.731 16.282 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU B 412 1.506 13.387 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU B 412 1.284 14.631 -6.740 1.00 0.00 H new ATOM 0 HG LEU B 412 3.489 14.906 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU B 412 4.463 16.282 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU B 412 2.882 16.900 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU B 412 3.016 15.998 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU B 412 4.958 13.882 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU B 412 3.524 13.481 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU B 412 3.756 12.725 -5.590 1.00 0.00 H new ATOM 1795 N GLY B 413 -1.067 13.856 -3.882 1.00 0.00 N ATOM 1796 CA GLY B 413 -2.410 13.315 -3.883 1.00 0.00 C ATOM 1797 C GLY B 413 -2.548 12.071 -3.033 1.00 0.00 C ATOM 1798 O GLY B 413 -1.612 11.672 -2.339 1.00 0.00 O ATOM 0 H GLY B 413 -0.472 13.540 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY B 413 -3.102 14.075 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY B 413 -2.701 13.082 -4.907 1.00 0.00 H new ATOM 1802 N THR B 414 -3.723 11.459 -3.092 1.00 0.00 N ATOM 1803 CA THR B 414 -4.002 10.250 -2.332 1.00 0.00 C ATOM 1804 C THR B 414 -4.877 9.308 -3.144 1.00 0.00 C ATOM 1805 O THR B 414 -5.372 9.673 -4.209 1.00 0.00 O ATOM 1806 CB THR B 414 -4.711 10.569 -1.002 1.00 0.00 C ATOM 1807 OG1 THR B 414 -4.720 11.978 -0.740 1.00 0.00 O ATOM 1808 CG2 THR B 414 -4.029 9.867 0.161 1.00 0.00 C ATOM 0 H THR B 414 -4.503 11.784 -3.663 1.00 0.00 H new ATOM 0 HA THR B 414 -3.045 9.776 -2.113 1.00 0.00 H new ATOM 0 HB THR B 414 -5.736 10.212 -1.098 1.00 0.00 H new ATOM 0 HG1 THR B 414 -5.178 12.150 0.109 1.00 0.00 H new ATOM 0 HG21 THR B 414 -4.549 10.109 1.088 1.00 0.00 H new ATOM 0 HG22 THR B 414 -4.055 8.789 0.001 1.00 0.00 H new ATOM 0 HG23 THR B 414 -2.993 10.199 0.229 1.00 0.00 H new ATOM 1816 N GLY B 415 -5.071 8.095 -2.643 1.00 0.00 N ATOM 1817 CA GLY B 415 -5.899 7.143 -3.360 1.00 0.00 C ATOM 1818 C GLY B 415 -6.401 6.016 -2.487 1.00 0.00 C ATOM 1819 O GLY B 415 -5.695 5.555 -1.604 1.00 0.00 O ATOM 0 H GLY B 415 -4.677 7.756 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY B 415 -6.752 7.666 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY B 415 -5.327 6.725 -4.189 1.00 0.00 H new ATOM 1823 N VAL B 416 -7.625 5.569 -2.742 1.00 0.00 N ATOM 1824 CA VAL B 416 -8.218 4.477 -1.979 1.00 0.00 C ATOM 1825 C VAL B 416 -8.849 3.455 -2.922 1.00 0.00 C ATOM 1826 O VAL B 416 -9.225 3.792 -4.045 1.00 0.00 O ATOM 1827 CB VAL B 416 -9.292 4.990 -1.001 1.00 0.00 C ATOM 1828 CG1 VAL B 416 -10.579 5.324 -1.741 1.00 0.00 C ATOM 1829 CG2 VAL B 416 -9.547 3.965 0.095 1.00 0.00 C ATOM 0 H VAL B 416 -8.228 5.947 -3.473 1.00 0.00 H new ATOM 0 HA VAL B 416 -7.419 4.008 -1.405 1.00 0.00 H new ATOM 0 HB VAL B 416 -8.925 5.904 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL B 416 -11.324 5.684 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL B 416 -10.382 6.097 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL B 416 -10.955 4.430 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL B 416 -10.308 4.343 0.777 1.00 0.00 H new ATOM 0 HG22 VAL B 416 -9.892 3.032 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL B 416 -8.624 3.784 0.646 1.00 0.00 H new ATOM 1839 N GLY B 417 -8.966 2.211 -2.470 1.00 0.00 N ATOM 1840 CA GLY B 417 -9.556 1.184 -3.312 1.00 0.00 C ATOM 1841 C GLY B 417 -9.829 -0.111 -2.575 1.00 0.00 C ATOM 1842 O GLY B 417 -9.139 -0.443 -1.613 1.00 0.00 O ATOM 0 H GLY B 417 -8.667 1.897 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -10.490 1.559 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -8.889 0.983 -4.150 1.00 0.00 H new ATOM 1846 N ARG B 418 -10.836 -0.848 -3.037 1.00 0.00 N ATOM 1847 CA ARG B 418 -11.195 -2.122 -2.421 1.00 0.00 C ATOM 1848 C ARG B 418 -10.128 -3.172 -2.706 1.00 0.00 C ATOM 1849 O ARG B 418 -9.569 -3.770 -1.788 1.00 0.00 O ATOM 1850 CB ARG B 418 -12.558 -2.615 -2.925 1.00 0.00 C ATOM 1851 CG ARG B 418 -13.394 -1.541 -3.603 1.00 0.00 C ATOM 1852 CD ARG B 418 -14.842 -1.978 -3.764 1.00 0.00 C ATOM 1853 NE ARG B 418 -14.953 -3.288 -4.403 1.00 0.00 N ATOM 1854 CZ ARG B 418 -14.945 -3.468 -5.721 1.00 0.00 C ATOM 1855 NH1 ARG B 418 -14.811 -2.429 -6.534 1.00 0.00 N ATOM 1856 NH2 ARG B 418 -15.069 -4.689 -6.226 1.00 0.00 N ATOM 0 H ARG B 418 -11.416 -0.586 -3.834 1.00 0.00 H new ATOM 0 HA ARG B 418 -11.261 -1.964 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG B 418 -12.399 -3.434 -3.627 1.00 0.00 H new ATOM 0 HB3 ARG B 418 -13.120 -3.020 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG B 418 -13.353 -0.623 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG B 418 -12.971 -1.313 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG B 418 -15.321 -2.011 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG B 418 -15.379 -1.239 -4.358 1.00 0.00 H new ATOM 0 HE ARG B 418 -15.041 -4.110 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG B 418 -14.714 -1.489 -6.149 1.00 0.00 H new ATOM 0 HH12 ARG B 418 -14.805 -2.569 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG B 418 -15.171 -5.491 -5.603 1.00 0.00 H new ATOM 0 HH22 ARG B 418 -15.063 -4.826 -7.237 1.00 0.00 H new ATOM 1870 N ASN B 419 -9.835 -3.380 -3.985 1.00 0.00 N ATOM 1871 CA ASN B 419 -8.822 -4.344 -4.388 1.00 0.00 C ATOM 1872 C ASN B 419 -7.434 -3.775 -4.130 1.00 0.00 C ATOM 1873 O ASN B 419 -6.458 -4.517 -4.035 1.00 0.00 O ATOM 1874 CB ASN B 419 -8.978 -4.701 -5.869 1.00 0.00 C ATOM 1875 CG ASN B 419 -10.383 -4.449 -6.383 1.00 0.00 C ATOM 1876 OD1 ASN B 419 -11.360 -4.942 -5.819 1.00 0.00 O ATOM 1877 ND2 ASN B 419 -10.489 -3.678 -7.458 1.00 0.00 N ATOM 0 H ASN B 419 -10.286 -2.893 -4.760 1.00 0.00 H new ATOM 0 HA ASN B 419 -8.951 -5.252 -3.799 1.00 0.00 H new ATOM 0 HB2 ASN B 419 -8.270 -4.117 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN B 419 -8.724 -5.751 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN B 419 -11.408 -3.473 -7.850 1.00 0.00 H new ATOM 0 HD22 ASN B 419 -9.651 -3.291 -7.893 1.00 0.00 H new ATOM 1884 N ILE B 420 -7.374 -2.445 -4.044 1.00 0.00 N ATOM 1885 CA ILE B 420 -6.141 -1.695 -3.816 1.00 0.00 C ATOM 1886 C ILE B 420 -5.573 -1.160 -5.125 1.00 0.00 C ATOM 1887 O ILE B 420 -5.122 -0.016 -5.185 1.00 0.00 O ATOM 1888 CB ILE B 420 -5.045 -2.484 -3.065 1.00 0.00 C ATOM 1889 CG1 ILE B 420 -4.185 -3.297 -4.040 1.00 0.00 C ATOM 1890 CG2 ILE B 420 -5.646 -3.370 -1.982 1.00 0.00 C ATOM 1891 CD1 ILE B 420 -3.027 -2.504 -4.615 1.00 0.00 C ATOM 0 H ILE B 420 -8.197 -1.849 -4.133 1.00 0.00 H new ATOM 0 HA ILE B 420 -6.433 -0.869 -3.167 1.00 0.00 H new ATOM 0 HB ILE B 420 -4.393 -1.762 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE B 420 -3.796 -4.176 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE B 420 -4.812 -3.656 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE B 420 -4.850 -3.912 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE B 420 -6.183 -2.752 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE B 420 -6.336 -4.081 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE B 420 -2.457 -3.135 -5.297 1.00 0.00 H new ATOM 0 HD12 ILE B 420 -3.411 -1.639 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE B 420 -2.379 -2.167 -3.806 1.00 0.00 H new ATOM 1903 N LYS B 421 -5.596 -1.976 -6.180 1.00 0.00 N ATOM 1904 CA LYS B 421 -5.077 -1.525 -7.466 1.00 0.00 C ATOM 1905 C LYS B 421 -5.747 -0.213 -7.829 1.00 0.00 C ATOM 1906 O LYS B 421 -5.098 0.720 -8.299 1.00 0.00 O ATOM 1907 CB LYS B 421 -5.277 -2.585 -8.560 1.00 0.00 C ATOM 1908 CG LYS B 421 -6.098 -2.122 -9.756 1.00 0.00 C ATOM 1909 CD LYS B 421 -7.564 -1.971 -9.398 1.00 0.00 C ATOM 1910 CE LYS B 421 -8.444 -2.831 -10.291 1.00 0.00 C ATOM 1911 NZ LYS B 421 -8.990 -2.061 -11.443 1.00 0.00 N ATOM 0 H LYS B 421 -5.959 -2.929 -6.170 1.00 0.00 H new ATOM 0 HA LYS B 421 -4.001 -1.369 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS B 421 -4.299 -2.911 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS B 421 -5.763 -3.455 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS B 421 -5.711 -1.170 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS B 421 -5.993 -2.839 -10.570 1.00 0.00 H new ATOM 0 HD2 LYS B 421 -7.716 -2.251 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS B 421 -7.858 -0.926 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS B 421 -7.867 -3.678 -10.662 1.00 0.00 H new ATOM 0 HE3 LYS B 421 -9.267 -3.239 -9.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 421 -9.584 -2.684 -12.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 421 -9.562 -1.268 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS B 421 -8.205 -1.693 -12.018 1.00 0.00 H new ATOM 1925 N ILE B 422 -7.043 -0.133 -7.557 1.00 0.00 N ATOM 1926 CA ILE B 422 -7.772 1.094 -7.809 1.00 0.00 C ATOM 1927 C ILE B 422 -7.110 2.173 -6.994 1.00 0.00 C ATOM 1928 O ILE B 422 -6.982 3.311 -7.427 1.00 0.00 O ATOM 1929 CB ILE B 422 -9.262 1.022 -7.416 1.00 0.00 C ATOM 1930 CG1 ILE B 422 -9.722 -0.425 -7.259 1.00 0.00 C ATOM 1931 CG2 ILE B 422 -10.113 1.748 -8.445 1.00 0.00 C ATOM 1932 CD1 ILE B 422 -9.426 -0.995 -5.890 1.00 0.00 C ATOM 0 H ILE B 422 -7.601 -0.893 -7.168 1.00 0.00 H new ATOM 0 HA ILE B 422 -7.746 1.289 -8.881 1.00 0.00 H new ATOM 0 HB ILE B 422 -9.384 1.515 -6.451 1.00 0.00 H new ATOM 0 HG12 ILE B 422 -10.794 -0.482 -7.446 1.00 0.00 H new ATOM 0 HG13 ILE B 422 -9.234 -1.040 -8.015 1.00 0.00 H new ATOM 0 HG21 ILE B 422 -11.162 1.690 -8.156 1.00 0.00 H new ATOM 0 HG22 ILE B 422 -9.808 2.793 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE B 422 -9.979 1.282 -9.421 1.00 0.00 H new ATOM 0 HD11 ILE B 422 -9.777 -2.026 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE B 422 -8.351 -0.969 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE B 422 -9.936 -0.402 -5.131 1.00 0.00 H new ATOM 1944 N ALA B 423 -6.652 1.774 -5.811 1.00 0.00 N ATOM 1945 CA ALA B 423 -5.956 2.674 -4.923 1.00 0.00 C ATOM 1946 C ALA B 423 -4.609 3.026 -5.531 1.00 0.00 C ATOM 1947 O ALA B 423 -4.151 4.164 -5.437 1.00 0.00 O ATOM 1948 CB ALA B 423 -5.789 2.044 -3.551 1.00 0.00 C ATOM 0 H ALA B 423 -6.756 0.825 -5.452 1.00 0.00 H new ATOM 0 HA ALA B 423 -6.538 3.587 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -5.262 2.736 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -6.770 1.821 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -5.215 1.122 -3.641 1.00 0.00 H new ATOM 1954 N GLY B 424 -3.993 2.043 -6.189 1.00 0.00 N ATOM 1955 CA GLY B 424 -2.718 2.286 -6.835 1.00 0.00 C ATOM 1956 C GLY B 424 -2.864 3.287 -7.962 1.00 0.00 C ATOM 1957 O GLY B 424 -2.363 4.413 -7.878 1.00 0.00 O ATOM 0 H GLY B 424 -4.352 1.093 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -2.001 2.658 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -2.319 1.349 -7.225 1.00 0.00 H new ATOM 1961 N ILE B 425 -3.574 2.887 -9.012 1.00 0.00 N ATOM 1962 CA ILE B 425 -3.803 3.772 -10.146 1.00 0.00 C ATOM 1963 C ILE B 425 -4.402 5.091 -9.669 1.00 0.00 C ATOM 1964 O ILE B 425 -3.933 6.167 -10.041 1.00 0.00 O ATOM 1965 CB ILE B 425 -4.739 3.131 -11.191 1.00 0.00 C ATOM 1966 CG1 ILE B 425 -4.007 2.018 -11.943 1.00 0.00 C ATOM 1967 CG2 ILE B 425 -5.256 4.183 -12.164 1.00 0.00 C ATOM 1968 CD1 ILE B 425 -4.382 0.627 -11.477 1.00 0.00 C ATOM 0 H ILE B 425 -3.997 1.963 -9.100 1.00 0.00 H new ATOM 0 HA ILE B 425 -2.838 3.953 -10.620 1.00 0.00 H new ATOM 0 HB ILE B 425 -5.594 2.697 -10.672 1.00 0.00 H new ATOM 0 HG12 ILE B 425 -4.223 2.107 -13.008 1.00 0.00 H new ATOM 0 HG13 ILE B 425 -2.932 2.155 -11.823 1.00 0.00 H new ATOM 0 HG21 ILE B 425 -5.915 3.712 -12.893 1.00 0.00 H new ATOM 0 HG22 ILE B 425 -5.809 4.946 -11.615 1.00 0.00 H new ATOM 0 HG23 ILE B 425 -4.415 4.646 -12.680 1.00 0.00 H new ATOM 0 HD11 ILE B 425 -3.825 -0.112 -12.053 1.00 0.00 H new ATOM 0 HD12 ILE B 425 -4.140 0.520 -10.420 1.00 0.00 H new ATOM 0 HD13 ILE B 425 -5.451 0.470 -11.622 1.00 0.00 H new ATOM 1980 N ARG B 426 -5.434 5.000 -8.833 1.00 0.00 N ATOM 1981 CA ARG B 426 -6.088 6.186 -8.294 1.00 0.00 C ATOM 1982 C ARG B 426 -5.052 7.140 -7.716 1.00 0.00 C ATOM 1983 O ARG B 426 -5.048 8.331 -8.027 1.00 0.00 O ATOM 1984 CB ARG B 426 -7.102 5.798 -7.216 1.00 0.00 C ATOM 1985 CG ARG B 426 -7.752 6.987 -6.530 1.00 0.00 C ATOM 1986 CD ARG B 426 -8.699 7.714 -7.468 1.00 0.00 C ATOM 1987 NE ARG B 426 -10.005 7.944 -6.858 1.00 0.00 N ATOM 1988 CZ ARG B 426 -10.877 6.976 -6.590 1.00 0.00 C ATOM 1989 NH1 ARG B 426 -10.590 5.716 -6.891 1.00 0.00 N ATOM 1990 NH2 ARG B 426 -12.036 7.270 -6.021 1.00 0.00 N ATOM 0 H ARG B 426 -5.834 4.117 -8.515 1.00 0.00 H new ATOM 0 HA ARG B 426 -6.617 6.686 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG B 426 -7.879 5.181 -7.667 1.00 0.00 H new ATOM 0 HB3 ARG B 426 -6.604 5.185 -6.465 1.00 0.00 H new ATOM 0 HG2 ARG B 426 -8.298 6.648 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG B 426 -6.981 7.675 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG B 426 -8.261 8.669 -7.757 1.00 0.00 H new ATOM 0 HD3 ARG B 426 -8.823 7.131 -8.381 1.00 0.00 H new ATOM 0 HE ARG B 426 -10.264 8.902 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG B 426 -9.698 5.487 -7.329 1.00 0.00 H new ATOM 0 HH12 ARG B 426 -11.261 4.977 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG B 426 -12.259 8.238 -5.789 1.00 0.00 H new ATOM 0 HH22 ARG B 426 -12.706 6.529 -5.815 1.00 0.00 H new ATOM 2004 N ALA B 427 -4.164 6.606 -6.882 1.00 0.00 N ATOM 2005 CA ALA B 427 -3.114 7.412 -6.280 1.00 0.00 C ATOM 2006 C ALA B 427 -2.405 8.218 -7.357 1.00 0.00 C ATOM 2007 O ALA B 427 -2.152 9.412 -7.193 1.00 0.00 O ATOM 2008 CB ALA B 427 -2.119 6.542 -5.526 1.00 0.00 C ATOM 0 H ALA B 427 -4.153 5.623 -6.610 1.00 0.00 H new ATOM 0 HA ALA B 427 -3.570 8.094 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA B 427 -1.345 7.171 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA B 427 -2.637 5.998 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA B 427 -1.661 5.832 -6.215 1.00 0.00 H new ATOM 2014 N ALA B 428 -2.101 7.552 -8.468 1.00 0.00 N ATOM 2015 CA ALA B 428 -1.434 8.202 -9.588 1.00 0.00 C ATOM 2016 C ALA B 428 -2.248 9.397 -10.076 1.00 0.00 C ATOM 2017 O ALA B 428 -1.831 10.549 -9.926 1.00 0.00 O ATOM 2018 CB ALA B 428 -1.208 7.220 -10.727 1.00 0.00 C ATOM 0 H ALA B 428 -2.306 6.564 -8.615 1.00 0.00 H new ATOM 0 HA ALA B 428 -0.463 8.558 -9.243 1.00 0.00 H new ATOM 0 HB1 ALA B 428 -0.709 7.728 -11.552 1.00 0.00 H new ATOM 0 HB2 ALA B 428 -0.586 6.396 -10.379 1.00 0.00 H new ATOM 0 HB3 ALA B 428 -2.168 6.831 -11.068 1.00 0.00 H new ATOM 2024 N GLU B 429 -3.413 9.111 -10.657 1.00 0.00 N ATOM 2025 CA GLU B 429 -4.297 10.156 -11.167 1.00 0.00 C ATOM 2026 C GLU B 429 -4.396 11.308 -10.175 1.00 0.00 C ATOM 2027 O GLU B 429 -4.674 12.445 -10.554 1.00 0.00 O ATOM 2028 CB GLU B 429 -5.688 9.589 -11.450 1.00 0.00 C ATOM 2029 CG GLU B 429 -6.257 10.028 -12.791 1.00 0.00 C ATOM 2030 CD GLU B 429 -7.719 10.423 -12.705 1.00 0.00 C ATOM 2031 OE1 GLU B 429 -8.577 9.517 -12.674 1.00 0.00 O ATOM 2032 OE2 GLU B 429 -8.005 11.638 -12.671 1.00 0.00 O ATOM 0 H GLU B 429 -3.766 8.163 -10.786 1.00 0.00 H new ATOM 0 HA GLU B 429 -3.875 10.533 -12.098 1.00 0.00 H new ATOM 0 HB2 GLU B 429 -5.641 8.500 -11.422 1.00 0.00 H new ATOM 0 HB3 GLU B 429 -6.367 9.899 -10.656 1.00 0.00 H new ATOM 0 HG2 GLU B 429 -5.679 10.871 -13.168 1.00 0.00 H new ATOM 0 HG3 GLU B 429 -6.146 9.218 -13.511 1.00 0.00 H new ATOM 2039 N ASN B 430 -4.167 11.006 -8.903 1.00 0.00 N ATOM 2040 CA ASN B 430 -4.228 12.016 -7.858 1.00 0.00 C ATOM 2041 C ASN B 430 -2.945 12.839 -7.828 1.00 0.00 C ATOM 2042 O ASN B 430 -2.969 14.028 -7.512 1.00 0.00 O ATOM 2043 CB ASN B 430 -4.463 11.360 -6.499 1.00 0.00 C ATOM 2044 CG ASN B 430 -5.937 11.201 -6.187 1.00 0.00 C ATOM 2045 OD1 ASN B 430 -6.552 12.074 -5.575 1.00 0.00 O ATOM 2046 ND2 ASN B 430 -6.513 10.082 -6.608 1.00 0.00 N ATOM 0 H ASN B 430 -3.937 10.069 -8.572 1.00 0.00 H new ATOM 0 HA ASN B 430 -5.062 12.683 -8.076 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -3.982 10.382 -6.482 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -3.992 11.961 -5.721 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -7.504 9.919 -6.428 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -5.965 9.385 -7.112 1.00 0.00 H new ATOM 2053 N ALA B 431 -1.823 12.201 -8.158 1.00 0.00 N ATOM 2054 CA ALA B 431 -0.535 12.884 -8.165 1.00 0.00 C ATOM 2055 C ALA B 431 -0.508 13.957 -9.237 1.00 0.00 C ATOM 2056 O ALA B 431 -0.004 15.058 -9.016 1.00 0.00 O ATOM 2057 CB ALA B 431 0.609 11.908 -8.376 1.00 0.00 C ATOM 0 H ALA B 431 -1.782 11.217 -8.423 1.00 0.00 H new ATOM 0 HA ALA B 431 -0.405 13.353 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA B 431 1.555 12.450 -8.376 1.00 0.00 H new ATOM 0 HB2 ALA B 431 0.613 11.172 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA B 431 0.482 11.400 -9.332 1.00 0.00 H new ATOM 2063 N LEU B 432 -1.067 13.635 -10.396 1.00 0.00 N ATOM 2064 CA LEU B 432 -1.119 14.591 -11.491 1.00 0.00 C ATOM 2065 C LEU B 432 -2.459 15.306 -11.490 1.00 0.00 C ATOM 2066 O LEU B 432 -2.930 15.790 -12.519 1.00 0.00 O ATOM 2067 CB LEU B 432 -0.844 13.924 -12.848 1.00 0.00 C ATOM 2068 CG LEU B 432 -1.761 12.760 -13.244 1.00 0.00 C ATOM 2069 CD1 LEU B 432 -1.423 11.516 -12.445 1.00 0.00 C ATOM 2070 CD2 LEU B 432 -3.225 13.133 -13.068 1.00 0.00 C ATOM 0 H LEU B 432 -1.487 12.728 -10.600 1.00 0.00 H new ATOM 0 HA LEU B 432 -0.329 15.326 -11.338 1.00 0.00 H new ATOM 0 HB2 LEU B 432 -0.911 14.688 -13.622 1.00 0.00 H new ATOM 0 HB3 LEU B 432 0.184 13.562 -12.846 1.00 0.00 H new ATOM 0 HG LEU B 432 -1.595 12.545 -14.299 1.00 0.00 H new ATOM 0 HD11 LEU B 432 -2.085 10.702 -12.741 1.00 0.00 H new ATOM 0 HD12 LEU B 432 -0.389 11.230 -12.637 1.00 0.00 H new ATOM 0 HD13 LEU B 432 -1.552 11.720 -11.382 1.00 0.00 H new ATOM 0 HD21 LEU B 432 -3.853 12.290 -13.356 1.00 0.00 H new ATOM 0 HD22 LEU B 432 -3.413 13.386 -12.025 1.00 0.00 H new ATOM 0 HD23 LEU B 432 -3.460 13.991 -13.697 1.00 0.00 H new ATOM 2082 N ARG B 433 -3.061 15.369 -10.309 1.00 0.00 N ATOM 2083 CA ARG B 433 -4.344 16.032 -10.131 1.00 0.00 C ATOM 2084 C ARG B 433 -4.132 17.459 -9.635 1.00 0.00 C ATOM 2085 O ARG B 433 -5.071 18.253 -9.574 1.00 0.00 O ATOM 2086 CB ARG B 433 -5.216 15.254 -9.142 1.00 0.00 C ATOM 2087 CG ARG B 433 -6.649 15.752 -9.072 1.00 0.00 C ATOM 2088 CD ARG B 433 -7.197 15.664 -7.656 1.00 0.00 C ATOM 2089 NE ARG B 433 -8.263 16.636 -7.419 1.00 0.00 N ATOM 2090 CZ ARG B 433 -8.830 16.830 -6.232 1.00 0.00 C ATOM 2091 NH1 ARG B 433 -8.429 16.129 -5.181 1.00 0.00 N ATOM 2092 NH2 ARG B 433 -9.798 17.726 -6.095 1.00 0.00 N ATOM 0 H ARG B 433 -2.677 14.965 -9.455 1.00 0.00 H new ATOM 0 HA ARG B 433 -4.855 16.064 -11.093 1.00 0.00 H new ATOM 0 HB2 ARG B 433 -5.220 14.201 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG B 433 -4.770 15.317 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG B 433 -6.695 16.785 -9.418 1.00 0.00 H new ATOM 0 HG3 ARG B 433 -7.274 15.163 -9.743 1.00 0.00 H new ATOM 0 HD2 ARG B 433 -7.577 14.658 -7.476 1.00 0.00 H new ATOM 0 HD3 ARG B 433 -6.389 15.831 -6.944 1.00 0.00 H new ATOM 0 HE ARG B 433 -8.589 17.196 -8.207 1.00 0.00 H new ATOM 0 HH11 ARG B 433 -7.684 15.439 -5.282 1.00 0.00 H new ATOM 0 HH12 ARG B 433 -8.865 16.279 -4.271 1.00 0.00 H new ATOM 0 HH21 ARG B 433 -10.109 18.268 -6.901 1.00 0.00 H new ATOM 0 HH22 ARG B 433 -10.232 17.873 -5.183 1.00 0.00 H new ATOM 2106 N ASP B 434 -2.887 17.776 -9.285 1.00 0.00 N ATOM 2107 CA ASP B 434 -2.539 19.105 -8.797 1.00 0.00 C ATOM 2108 C ASP B 434 -1.883 19.932 -9.899 1.00 0.00 C ATOM 2109 O ASP B 434 -0.681 19.822 -10.140 1.00 0.00 O ATOM 2110 CB ASP B 434 -1.601 19.000 -7.595 1.00 0.00 C ATOM 2111 CG ASP B 434 -2.319 18.541 -6.341 1.00 0.00 C ATOM 2112 OD1 ASP B 434 -3.546 18.756 -6.247 1.00 0.00 O ATOM 2113 OD2 ASP B 434 -1.655 17.967 -5.452 1.00 0.00 O ATOM 0 H ASP B 434 -2.102 17.127 -9.331 1.00 0.00 H new ATOM 0 HA ASP B 434 -3.457 19.605 -8.489 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -0.796 18.302 -7.826 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -1.139 19.970 -7.412 1.00 0.00 H new ATOM 2118 N LYS B 435 -2.682 20.755 -10.565 1.00 0.00 N ATOM 2119 CA LYS B 435 -2.190 21.603 -11.645 1.00 0.00 C ATOM 2120 C LYS B 435 -0.974 22.410 -11.204 1.00 0.00 C ATOM 2121 O LYS B 435 0.055 22.417 -11.878 1.00 0.00 O ATOM 2122 CB LYS B 435 -3.296 22.546 -12.124 1.00 0.00 C ATOM 2123 CG LYS B 435 -3.396 23.827 -11.312 1.00 0.00 C ATOM 2124 CD LYS B 435 -4.523 24.717 -11.810 1.00 0.00 C ATOM 2125 CE LYS B 435 -5.864 23.999 -11.766 1.00 0.00 C ATOM 2126 NZ LYS B 435 -6.188 23.505 -10.399 1.00 0.00 N ATOM 0 H LYS B 435 -3.679 20.854 -10.376 1.00 0.00 H new ATOM 0 HA LYS B 435 -1.889 20.955 -12.468 1.00 0.00 H new ATOM 0 HB2 LYS B 435 -3.118 22.801 -13.169 1.00 0.00 H new ATOM 0 HB3 LYS B 435 -4.252 22.023 -12.082 1.00 0.00 H new ATOM 0 HG2 LYS B 435 -3.561 23.582 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS B 435 -2.452 24.369 -11.368 1.00 0.00 H new ATOM 0 HD2 LYS B 435 -4.572 25.619 -11.200 1.00 0.00 H new ATOM 0 HD3 LYS B 435 -4.313 25.034 -12.831 1.00 0.00 H new ATOM 0 HE2 LYS B 435 -6.649 24.676 -12.102 1.00 0.00 H new ATOM 0 HE3 LYS B 435 -5.849 23.159 -12.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 435 -7.174 23.175 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS B 435 -5.553 22.718 -10.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 435 -6.063 24.276 -9.713 1.00 0.00 H new ATOM 2140 N LYS B 436 -1.099 23.094 -10.072 1.00 0.00 N ATOM 2141 CA LYS B 436 -0.010 23.909 -9.546 1.00 0.00 C ATOM 2142 C LYS B 436 1.255 23.075 -9.357 1.00 0.00 C ATOM 2143 O LYS B 436 2.335 23.457 -9.805 1.00 0.00 O ATOM 2144 CB LYS B 436 -0.422 24.544 -8.217 1.00 0.00 C ATOM 2145 CG LYS B 436 -1.551 25.553 -8.351 1.00 0.00 C ATOM 2146 CD LYS B 436 -1.024 26.936 -8.697 1.00 0.00 C ATOM 2147 CE LYS B 436 -1.713 28.015 -7.877 1.00 0.00 C ATOM 2148 NZ LYS B 436 -0.771 29.095 -7.475 1.00 0.00 N ATOM 0 H LYS B 436 -1.944 23.100 -9.501 1.00 0.00 H new ATOM 0 HA LYS B 436 0.204 24.697 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS B 436 -0.728 23.758 -7.527 1.00 0.00 H new ATOM 0 HB3 LYS B 436 0.444 25.036 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS B 436 -2.245 25.223 -9.124 1.00 0.00 H new ATOM 0 HG3 LYS B 436 -2.112 25.599 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS B 436 0.051 26.972 -8.519 1.00 0.00 H new ATOM 0 HD3 LYS B 436 -1.178 27.130 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS B 436 -2.531 28.444 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS B 436 -2.154 27.568 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 436 -1.280 29.810 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS B 436 -0.004 28.691 -6.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 436 -0.370 29.540 -8.325 1.00 0.00 H new ATOM 2162 N MET B 437 1.110 21.935 -8.690 1.00 0.00 N ATOM 2163 CA MET B 437 2.237 21.045 -8.439 1.00 0.00 C ATOM 2164 C MET B 437 2.758 20.443 -9.743 1.00 0.00 C ATOM 2165 O MET B 437 3.967 20.370 -9.967 1.00 0.00 O ATOM 2166 CB MET B 437 1.817 19.933 -7.473 1.00 0.00 C ATOM 2167 CG MET B 437 2.817 18.793 -7.371 1.00 0.00 C ATOM 2168 SD MET B 437 2.022 17.175 -7.387 1.00 0.00 S ATOM 2169 CE MET B 437 2.542 16.559 -8.984 1.00 0.00 C ATOM 0 H MET B 437 0.221 21.605 -8.313 1.00 0.00 H new ATOM 0 HA MET B 437 3.042 21.626 -7.989 1.00 0.00 H new ATOM 0 HB2 MET B 437 1.669 20.363 -6.482 1.00 0.00 H new ATOM 0 HB3 MET B 437 0.855 19.532 -7.793 1.00 0.00 H new ATOM 0 HG2 MET B 437 3.521 18.856 -8.200 1.00 0.00 H new ATOM 0 HG3 MET B 437 3.395 18.902 -6.453 1.00 0.00 H new ATOM 0 HE1 MET B 437 2.530 15.469 -8.975 1.00 0.00 H new ATOM 0 HE2 MET B 437 1.861 16.923 -9.754 1.00 0.00 H new ATOM 0 HE3 MET B 437 3.552 16.909 -9.198 1.00 0.00 H new ATOM 2179 N LEU B 438 1.836 20.016 -10.600 1.00 0.00 N ATOM 2180 CA LEU B 438 2.196 19.422 -11.882 1.00 0.00 C ATOM 2181 C LEU B 438 2.953 20.413 -12.751 1.00 0.00 C ATOM 2182 O LEU B 438 4.065 20.144 -13.205 1.00 0.00 O ATOM 2183 CB LEU B 438 0.948 18.975 -12.632 1.00 0.00 C ATOM 2184 CG LEU B 438 0.339 17.655 -12.173 1.00 0.00 C ATOM 2185 CD1 LEU B 438 -1.016 17.456 -12.824 1.00 0.00 C ATOM 2186 CD2 LEU B 438 1.267 16.498 -12.504 1.00 0.00 C ATOM 0 H LEU B 438 0.832 20.071 -10.429 1.00 0.00 H new ATOM 0 HA LEU B 438 2.834 18.563 -11.675 1.00 0.00 H new ATOM 0 HB2 LEU B 438 0.192 19.755 -12.539 1.00 0.00 H new ATOM 0 HB3 LEU B 438 1.193 18.892 -13.691 1.00 0.00 H new ATOM 0 HG LEU B 438 0.206 17.685 -11.092 1.00 0.00 H new ATOM 0 HD11 LEU B 438 -1.444 16.511 -12.491 1.00 0.00 H new ATOM 0 HD12 LEU B 438 -1.679 18.274 -12.542 1.00 0.00 H new ATOM 0 HD13 LEU B 438 -0.900 17.440 -13.908 1.00 0.00 H new ATOM 0 HD21 LEU B 438 0.817 15.563 -12.169 1.00 0.00 H new ATOM 0 HD22 LEU B 438 1.429 16.458 -13.581 1.00 0.00 H new ATOM 0 HD23 LEU B 438 2.222 16.642 -11.999 1.00 0.00 H new ATOM 2198 N ASP B 439 2.333 21.563 -12.976 1.00 0.00 N ATOM 2199 CA ASP B 439 2.932 22.610 -13.787 1.00 0.00 C ATOM 2200 C ASP B 439 4.178 23.151 -13.107 1.00 0.00 C ATOM 2201 O ASP B 439 5.102 23.628 -13.767 1.00 0.00 O ATOM 2202 CB ASP B 439 1.925 23.738 -14.027 1.00 0.00 C ATOM 2203 CG ASP B 439 2.318 24.626 -15.190 1.00 0.00 C ATOM 2204 OD1 ASP B 439 2.639 24.084 -16.269 1.00 0.00 O ATOM 2205 OD2 ASP B 439 2.303 25.864 -15.024 1.00 0.00 O ATOM 0 H ASP B 439 1.411 21.794 -12.606 1.00 0.00 H new ATOM 0 HA ASP B 439 3.215 22.187 -14.751 1.00 0.00 H new ATOM 0 HB2 ASP B 439 0.941 23.309 -14.218 1.00 0.00 H new ATOM 0 HB3 ASP B 439 1.839 24.343 -13.124 1.00 0.00 H new ATOM 2210 N PHE B 440 4.204 23.058 -11.782 1.00 0.00 N ATOM 2211 CA PHE B 440 5.343 23.526 -11.007 1.00 0.00 C ATOM 2212 C PHE B 440 6.602 22.776 -11.426 1.00 0.00 C ATOM 2213 O PHE B 440 7.648 23.379 -11.668 1.00 0.00 O ATOM 2214 CB PHE B 440 5.084 23.333 -9.511 1.00 0.00 C ATOM 2215 CG PHE B 440 6.335 23.240 -8.686 1.00 0.00 C ATOM 2216 CD1 PHE B 440 7.165 24.339 -8.534 1.00 0.00 C ATOM 2217 CD2 PHE B 440 6.680 22.052 -8.063 1.00 0.00 C ATOM 2218 CE1 PHE B 440 8.318 24.255 -7.776 1.00 0.00 C ATOM 2219 CE2 PHE B 440 7.833 21.961 -7.304 1.00 0.00 C ATOM 2220 CZ PHE B 440 8.651 23.064 -7.161 1.00 0.00 C ATOM 0 H PHE B 440 3.448 22.662 -11.224 1.00 0.00 H new ATOM 0 HA PHE B 440 5.486 24.589 -11.199 1.00 0.00 H new ATOM 0 HB2 PHE B 440 4.480 24.164 -9.146 1.00 0.00 H new ATOM 0 HB3 PHE B 440 4.497 22.426 -9.368 1.00 0.00 H new ATOM 0 HD1 PHE B 440 6.908 25.272 -9.013 1.00 0.00 H new ATOM 0 HD2 PHE B 440 6.042 21.187 -8.171 1.00 0.00 H new ATOM 0 HE1 PHE B 440 8.957 25.119 -7.665 1.00 0.00 H new ATOM 0 HE2 PHE B 440 8.093 21.029 -6.824 1.00 0.00 H new ATOM 0 HZ PHE B 440 9.551 22.996 -6.568 1.00 0.00 H new ATOM 2230 N TYR B 441 6.488 21.455 -11.515 1.00 0.00 N ATOM 2231 CA TYR B 441 7.612 20.620 -11.912 1.00 0.00 C ATOM 2232 C TYR B 441 7.861 20.734 -13.409 1.00 0.00 C ATOM 2233 O TYR B 441 9.004 20.706 -13.858 1.00 0.00 O ATOM 2234 CB TYR B 441 7.356 19.165 -11.521 1.00 0.00 C ATOM 2235 CG TYR B 441 7.367 18.950 -10.028 1.00 0.00 C ATOM 2236 CD1 TYR B 441 8.530 19.138 -9.294 1.00 0.00 C ATOM 2237 CD2 TYR B 441 6.216 18.571 -9.352 1.00 0.00 C ATOM 2238 CE1 TYR B 441 8.548 18.953 -7.927 1.00 0.00 C ATOM 2239 CE2 TYR B 441 6.224 18.387 -7.983 1.00 0.00 C ATOM 2240 CZ TYR B 441 7.392 18.579 -7.274 1.00 0.00 C ATOM 2241 OH TYR B 441 7.403 18.397 -5.909 1.00 0.00 O ATOM 0 H TYR B 441 5.629 20.942 -11.317 1.00 0.00 H new ATOM 0 HA TYR B 441 8.503 20.968 -11.390 1.00 0.00 H new ATOM 0 HB2 TYR B 441 6.392 18.850 -11.922 1.00 0.00 H new ATOM 0 HB3 TYR B 441 8.115 18.531 -11.980 1.00 0.00 H new ATOM 0 HD1 TYR B 441 9.436 19.434 -9.802 1.00 0.00 H new ATOM 0 HD2 TYR B 441 5.301 18.418 -9.904 1.00 0.00 H new ATOM 0 HE1 TYR B 441 9.462 19.100 -7.371 1.00 0.00 H new ATOM 0 HE2 TYR B 441 5.320 18.094 -7.470 1.00 0.00 H new ATOM 0 HH TYR B 441 6.482 18.374 -5.575 1.00 0.00 H new ATOM 2251 N ALA B 442 6.789 20.873 -14.181 1.00 0.00 N ATOM 2252 CA ALA B 442 6.913 21.004 -15.625 1.00 0.00 C ATOM 2253 C ALA B 442 7.965 22.054 -15.967 1.00 0.00 C ATOM 2254 O ALA B 442 8.894 21.794 -16.734 1.00 0.00 O ATOM 2255 CB ALA B 442 5.577 21.361 -16.258 1.00 0.00 C ATOM 0 H ALA B 442 5.831 20.898 -13.832 1.00 0.00 H new ATOM 0 HA ALA B 442 7.229 20.043 -16.031 1.00 0.00 H new ATOM 0 HB1 ALA B 442 5.699 21.453 -17.337 1.00 0.00 H new ATOM 0 HB2 ALA B 442 4.850 20.578 -16.040 1.00 0.00 H new ATOM 0 HB3 ALA B 442 5.223 22.308 -15.851 1.00 0.00 H new ATOM 2261 N LYS B 443 7.824 23.238 -15.375 1.00 0.00 N ATOM 2262 CA LYS B 443 8.777 24.321 -15.603 1.00 0.00 C ATOM 2263 C LYS B 443 10.088 24.015 -14.892 1.00 0.00 C ATOM 2264 O LYS B 443 11.166 24.140 -15.471 1.00 0.00 O ATOM 2265 CB LYS B 443 8.221 25.661 -15.108 1.00 0.00 C ATOM 2266 CG LYS B 443 6.718 25.661 -14.887 1.00 0.00 C ATOM 2267 CD LYS B 443 6.165 27.074 -14.800 1.00 0.00 C ATOM 2268 CE LYS B 443 6.048 27.714 -16.174 1.00 0.00 C ATOM 2269 NZ LYS B 443 6.331 29.175 -16.132 1.00 0.00 N ATOM 0 H LYS B 443 7.063 23.471 -14.737 1.00 0.00 H new ATOM 0 HA LYS B 443 8.952 24.399 -16.676 1.00 0.00 H new ATOM 0 HB2 LYS B 443 8.716 25.925 -14.173 1.00 0.00 H new ATOM 0 HB3 LYS B 443 8.472 26.437 -15.832 1.00 0.00 H new ATOM 0 HG2 LYS B 443 6.230 25.128 -15.703 1.00 0.00 H new ATOM 0 HG3 LYS B 443 6.485 25.121 -13.969 1.00 0.00 H new ATOM 0 HD2 LYS B 443 5.185 27.053 -14.323 1.00 0.00 H new ATOM 0 HD3 LYS B 443 6.814 27.681 -14.169 1.00 0.00 H new ATOM 0 HE2 LYS B 443 6.742 27.229 -16.860 1.00 0.00 H new ATOM 0 HE3 LYS B 443 5.045 27.550 -16.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 443 6.241 29.574 -17.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 443 5.653 29.642 -15.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 443 7.298 29.331 -15.782 1.00 0.00 H new ATOM 2283 N GLN B 444 9.982 23.603 -13.632 1.00 0.00 N ATOM 2284 CA GLN B 444 11.149 23.264 -12.834 1.00 0.00 C ATOM 2285 C GLN B 444 12.015 22.234 -13.555 1.00 0.00 C ATOM 2286 O GLN B 444 13.194 22.068 -13.244 1.00 0.00 O ATOM 2287 CB GLN B 444 10.706 22.721 -11.474 1.00 0.00 C ATOM 2288 CG GLN B 444 10.808 23.739 -10.354 1.00 0.00 C ATOM 2289 CD GLN B 444 11.871 23.367 -9.344 1.00 0.00 C ATOM 2290 OE1 GLN B 444 11.751 23.665 -8.155 1.00 0.00 O ATOM 2291 NE2 GLN B 444 12.921 22.711 -9.819 1.00 0.00 N ATOM 0 H GLN B 444 9.094 23.496 -13.142 1.00 0.00 H new ATOM 0 HA GLN B 444 11.743 24.165 -12.684 1.00 0.00 H new ATOM 0 HB2 GLN B 444 9.675 22.376 -11.548 1.00 0.00 H new ATOM 0 HB3 GLN B 444 11.315 21.853 -11.222 1.00 0.00 H new ATOM 0 HG2 GLN B 444 11.035 24.719 -10.774 1.00 0.00 H new ATOM 0 HG3 GLN B 444 9.844 23.823 -9.852 1.00 0.00 H new ATOM 0 HE21 GLN B 444 12.975 22.487 -10.813 1.00 0.00 H new ATOM 0 HE22 GLN B 444 13.674 22.431 -9.191 1.00 0.00 H new ATOM 2300 N ARG B 445 11.414 21.546 -14.522 1.00 0.00 N ATOM 2301 CA ARG B 445 12.116 20.531 -15.297 1.00 0.00 C ATOM 2302 C ARG B 445 12.816 21.155 -16.498 1.00 0.00 C ATOM 2303 O ARG B 445 14.030 21.023 -16.661 1.00 0.00 O ATOM 2304 CB ARG B 445 11.132 19.461 -15.776 1.00 0.00 C ATOM 2305 CG ARG B 445 11.279 18.127 -15.061 1.00 0.00 C ATOM 2306 CD ARG B 445 12.582 17.438 -15.433 1.00 0.00 C ATOM 2307 NE ARG B 445 12.385 16.392 -16.434 1.00 0.00 N ATOM 2308 CZ ARG B 445 13.325 16.008 -17.293 1.00 0.00 C ATOM 2309 NH1 ARG B 445 14.525 16.571 -17.260 1.00 0.00 N ATOM 2310 NH2 ARG B 445 13.069 15.057 -18.183 1.00 0.00 N ATOM 0 H ARG B 445 10.438 21.675 -14.787 1.00 0.00 H new ATOM 0 HA ARG B 445 12.867 20.072 -14.654 1.00 0.00 H new ATOM 0 HB2 ARG B 445 10.115 19.827 -15.636 1.00 0.00 H new ATOM 0 HB3 ARG B 445 11.271 19.306 -16.846 1.00 0.00 H new ATOM 0 HG2 ARG B 445 11.244 18.285 -13.983 1.00 0.00 H new ATOM 0 HG3 ARG B 445 10.439 17.481 -15.316 1.00 0.00 H new ATOM 0 HD2 ARG B 445 13.286 18.177 -15.816 1.00 0.00 H new ATOM 0 HD3 ARG B 445 13.030 17.004 -14.539 1.00 0.00 H new ATOM 0 HE ARG B 445 11.476 15.931 -16.476 1.00 0.00 H new ATOM 0 HH11 ARG B 445 14.728 17.299 -16.575 1.00 0.00 H new ATOM 0 HH12 ARG B 445 15.245 16.276 -17.919 1.00 0.00 H new ATOM 0 HH21 ARG B 445 12.149 14.618 -18.210 1.00 0.00 H new ATOM 0 HH22 ARG B 445 13.793 14.765 -18.840 1.00 0.00 H new