USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 380 TYR OH : rot 0:sc= 0.0893 USER MOD Set 1.2: B 444 GLN : amide:sc= -0.632 K(o=-0.54,f=-8.7!) USER MOD Set 2.1: B 368 MET CE :methyl -127:sc= -0.855 (180deg=-0.95) USER MOD Set 2.2: B 369 ASN : amide:sc= -0.989 K(o=-1.8,f=-0.94) USER MOD Single : B 371 LYS NZ :NH3+ 160:sc= -2.06! (180deg=-3.06!) USER MOD Single : B 373 GLN : amide:sc= -9.71! C(o=-9.7!,f=-7.2!) USER MOD Single : B 375 TYR OH : rot 180:sc= 0 USER MOD Single : B 376 SER OG : rot 180:sc= 0 USER MOD Single : B 382 SER OG : rot 180:sc= -0.37 USER MOD Single : B 386 HIS : no HD1:sc= -5.04! C(o=-5!,f=-2.6!) USER MOD Single : B 387 TYR OH : rot -153:sc= -4.36! 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 -167:sc= -1.24 USER MOD Single : B 399 ASN : amide:sc= -2.37 K(o=-2.4,f=-1.3) USER MOD Single : B 400 SER OG : rot 55:sc= 0.986 USER MOD Single : B 404 CYS SG : rot -140:sc= -3.07! USER MOD Single : B 410 THR OG1 : rot 180:sc= 0 USER MOD Single : B 414 THR OG1 : rot 53:sc= -0.351 USER MOD Single : B 419 ASN : amide:sc= -2.27! C(o=-2.3!,f=-10!) USER MOD Single : B 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -4.66! C(o=-4.7!,f=-6.7!) USER MOD Single : B 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 436 LYS NZ :NH3+ -146:sc= -0.23 (180deg=-1.1) USER MOD Single : B 437 MET CE :methyl -143:sc= -8.18! (180deg=-14!) USER MOD Single : B 441 TYR OH : rot 180:sc= 0 USER MOD Single : B 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1069 N ASP B 367 -4.710 4.025 -15.704 1.00 0.00 N ATOM 1070 CA ASP B 367 -3.431 3.825 -15.036 1.00 0.00 C ATOM 1071 C ASP B 367 -2.283 4.318 -15.912 1.00 0.00 C ATOM 1072 O ASP B 367 -1.622 5.307 -15.592 1.00 0.00 O ATOM 1073 CB ASP B 367 -3.239 2.345 -14.703 1.00 0.00 C ATOM 1074 CG ASP B 367 -3.843 1.434 -15.754 1.00 0.00 C ATOM 1075 OD1 ASP B 367 -3.471 1.566 -16.938 1.00 0.00 O ATOM 1076 OD2 ASP B 367 -4.690 0.590 -15.392 1.00 0.00 O ATOM 0 HA ASP B 367 -3.431 4.401 -14.111 1.00 0.00 H new ATOM 0 HB2 ASP B 367 -2.174 2.131 -14.609 1.00 0.00 H new ATOM 0 HB3 ASP B 367 -3.693 2.131 -13.736 1.00 0.00 H new ATOM 1081 N MET B 368 -2.054 3.620 -17.023 1.00 0.00 N ATOM 1082 CA MET B 368 -0.990 3.987 -17.949 1.00 0.00 C ATOM 1083 C MET B 368 -0.905 5.503 -18.098 1.00 0.00 C ATOM 1084 O MET B 368 0.181 6.084 -18.042 1.00 0.00 O ATOM 1085 CB MET B 368 -1.227 3.341 -19.316 1.00 0.00 C ATOM 1086 CG MET B 368 0.037 3.201 -20.151 1.00 0.00 C ATOM 1087 SD MET B 368 0.870 4.776 -20.423 1.00 0.00 S ATOM 1088 CE MET B 368 -0.382 5.670 -21.340 1.00 0.00 C ATOM 0 H MET B 368 -2.591 2.799 -17.301 1.00 0.00 H new ATOM 0 HA MET B 368 -0.046 3.623 -17.544 1.00 0.00 H new ATOM 0 HB2 MET B 368 -1.668 2.355 -19.171 1.00 0.00 H new ATOM 0 HB3 MET B 368 -1.954 3.936 -19.869 1.00 0.00 H new ATOM 0 HG2 MET B 368 0.722 2.514 -19.654 1.00 0.00 H new ATOM 0 HG3 MET B 368 -0.216 2.758 -21.114 1.00 0.00 H new ATOM 0 HE1 MET B 368 0.050 6.056 -22.263 1.00 0.00 H new ATOM 0 HE2 MET B 368 -1.207 4.999 -21.578 1.00 0.00 H new ATOM 0 HE3 MET B 368 -0.751 6.500 -20.737 1.00 0.00 H new ATOM 1098 N ASN B 369 -2.058 6.139 -18.283 1.00 0.00 N ATOM 1099 CA ASN B 369 -2.111 7.589 -18.434 1.00 0.00 C ATOM 1100 C ASN B 369 -1.469 8.273 -17.231 1.00 0.00 C ATOM 1101 O ASN B 369 -0.573 9.108 -17.381 1.00 0.00 O ATOM 1102 CB ASN B 369 -3.559 8.054 -18.598 1.00 0.00 C ATOM 1103 CG ASN B 369 -4.027 7.988 -20.039 1.00 0.00 C ATOM 1104 OD1 ASN B 369 -4.840 8.802 -20.478 1.00 0.00 O ATOM 1105 ND2 ASN B 369 -3.517 7.014 -20.786 1.00 0.00 N ATOM 0 H ASN B 369 -2.965 5.675 -18.332 1.00 0.00 H new ATOM 0 HA ASN B 369 -1.553 7.864 -19.329 1.00 0.00 H new ATOM 0 HB2 ASN B 369 -4.209 7.435 -17.979 1.00 0.00 H new ATOM 0 HB3 ASN B 369 -3.653 9.077 -18.235 1.00 0.00 H new ATOM 0 HD21 ASN B 369 -3.797 6.920 -21.762 1.00 0.00 H new ATOM 0 HD22 ASN B 369 -2.846 6.360 -20.383 1.00 0.00 H new ATOM 1112 N ALA B 370 -1.921 7.907 -16.035 1.00 0.00 N ATOM 1113 CA ALA B 370 -1.375 8.479 -14.813 1.00 0.00 C ATOM 1114 C ALA B 370 0.143 8.381 -14.825 1.00 0.00 C ATOM 1115 O ALA B 370 0.835 9.390 -14.942 1.00 0.00 O ATOM 1116 CB ALA B 370 -1.946 7.795 -13.579 1.00 0.00 C ATOM 0 H ALA B 370 -2.661 7.220 -15.888 1.00 0.00 H new ATOM 0 HA ALA B 370 -1.662 9.530 -14.770 1.00 0.00 H new ATOM 0 HB1 ALA B 370 -1.518 8.245 -12.683 1.00 0.00 H new ATOM 0 HB2 ALA B 370 -3.029 7.916 -13.564 1.00 0.00 H new ATOM 0 HB3 ALA B 370 -1.700 6.733 -13.605 1.00 0.00 H new ATOM 1122 N LYS B 371 0.656 7.157 -14.703 1.00 0.00 N ATOM 1123 CA LYS B 371 2.097 6.919 -14.705 1.00 0.00 C ATOM 1124 C LYS B 371 2.822 7.942 -15.574 1.00 0.00 C ATOM 1125 O LYS B 371 3.756 8.608 -15.123 1.00 0.00 O ATOM 1126 CB LYS B 371 2.394 5.505 -15.209 1.00 0.00 C ATOM 1127 CG LYS B 371 1.660 4.416 -14.444 1.00 0.00 C ATOM 1128 CD LYS B 371 0.912 3.486 -15.386 1.00 0.00 C ATOM 1129 CE LYS B 371 0.520 2.187 -14.698 1.00 0.00 C ATOM 1130 NZ LYS B 371 -0.282 2.430 -13.466 1.00 0.00 N ATOM 0 H LYS B 371 0.092 6.313 -14.601 1.00 0.00 H new ATOM 0 HA LYS B 371 2.459 7.022 -13.682 1.00 0.00 H new ATOM 0 HB2 LYS B 371 2.124 5.441 -16.263 1.00 0.00 H new ATOM 0 HB3 LYS B 371 3.467 5.323 -15.143 1.00 0.00 H new ATOM 0 HG2 LYS B 371 2.372 3.841 -13.852 1.00 0.00 H new ATOM 0 HG3 LYS B 371 0.958 4.870 -13.745 1.00 0.00 H new ATOM 0 HD2 LYS B 371 0.017 3.986 -15.757 1.00 0.00 H new ATOM 0 HD3 LYS B 371 1.536 3.266 -16.252 1.00 0.00 H new ATOM 0 HE2 LYS B 371 -0.054 1.569 -15.389 1.00 0.00 H new ATOM 0 HE3 LYS B 371 1.419 1.627 -14.441 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 -0.807 1.567 -13.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 0.353 2.686 -12.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 -0.953 3.206 -13.636 1.00 0.00 H new ATOM 1144 N ARG B 372 2.385 8.062 -16.826 1.00 0.00 N ATOM 1145 CA ARG B 372 2.993 9.007 -17.754 1.00 0.00 C ATOM 1146 C ARG B 372 3.059 10.397 -17.135 1.00 0.00 C ATOM 1147 O ARG B 372 4.085 11.068 -17.198 1.00 0.00 O ATOM 1148 CB ARG B 372 2.208 9.053 -19.067 1.00 0.00 C ATOM 1149 CG ARG B 372 2.888 9.871 -20.152 1.00 0.00 C ATOM 1150 CD ARG B 372 1.908 10.296 -21.233 1.00 0.00 C ATOM 1151 NE ARG B 372 2.132 11.671 -21.666 1.00 0.00 N ATOM 1152 CZ ARG B 372 1.543 12.728 -21.110 1.00 0.00 C ATOM 1153 NH1 ARG B 372 0.712 12.568 -20.091 1.00 0.00 N ATOM 1154 NH2 ARG B 372 1.792 13.945 -21.572 1.00 0.00 N ATOM 0 H ARG B 372 1.616 7.519 -17.218 1.00 0.00 H new ATOM 0 HA ARG B 372 4.008 8.670 -17.966 1.00 0.00 H new ATOM 0 HB2 ARG B 372 2.061 8.035 -19.429 1.00 0.00 H new ATOM 0 HB3 ARG B 372 1.219 9.469 -18.875 1.00 0.00 H new ATOM 0 HG2 ARG B 372 3.346 10.755 -19.708 1.00 0.00 H new ATOM 0 HG3 ARG B 372 3.692 9.286 -20.599 1.00 0.00 H new ATOM 0 HD2 ARG B 372 2.000 9.627 -22.089 1.00 0.00 H new ATOM 0 HD3 ARG B 372 0.889 10.196 -20.858 1.00 0.00 H new ATOM 0 HE ARG B 372 2.777 11.832 -22.439 1.00 0.00 H new ATOM 0 HH11 ARG B 372 0.522 11.633 -19.730 1.00 0.00 H new ATOM 0 HH12 ARG B 372 0.262 13.380 -19.667 1.00 0.00 H new ATOM 0 HH21 ARG B 372 2.435 14.072 -22.354 1.00 0.00 H new ATOM 0 HH22 ARG B 372 1.341 14.754 -21.146 1.00 0.00 H new ATOM 1168 N GLN B 373 1.960 10.825 -16.529 1.00 0.00 N ATOM 1169 CA GLN B 373 1.907 12.135 -15.890 1.00 0.00 C ATOM 1170 C GLN B 373 3.000 12.265 -14.832 1.00 0.00 C ATOM 1171 O GLN B 373 3.709 13.272 -14.767 1.00 0.00 O ATOM 1172 CB GLN B 373 0.531 12.356 -15.253 1.00 0.00 C ATOM 1173 CG GLN B 373 -0.112 13.679 -15.638 1.00 0.00 C ATOM 1174 CD GLN B 373 0.693 14.886 -15.189 1.00 0.00 C ATOM 1175 OE1 GLN B 373 0.578 15.967 -15.765 1.00 0.00 O ATOM 1176 NE2 GLN B 373 1.512 14.711 -14.158 1.00 0.00 N ATOM 0 H GLN B 373 1.096 10.287 -16.466 1.00 0.00 H new ATOM 0 HA GLN B 373 2.073 12.896 -16.653 1.00 0.00 H new ATOM 0 HB2 GLN B 373 -0.131 11.541 -15.546 1.00 0.00 H new ATOM 0 HB3 GLN B 373 0.631 12.312 -14.168 1.00 0.00 H new ATOM 0 HG2 GLN B 373 -0.236 13.715 -16.720 1.00 0.00 H new ATOM 0 HG3 GLN B 373 -1.109 13.732 -15.201 1.00 0.00 H new ATOM 0 HE21 GLN B 373 1.578 13.798 -13.708 1.00 0.00 H new ATOM 0 HE22 GLN B 373 2.075 15.490 -13.816 1.00 0.00 H new ATOM 1185 N LEU B 374 3.115 11.240 -13.999 1.00 0.00 N ATOM 1186 CA LEU B 374 4.096 11.216 -12.919 1.00 0.00 C ATOM 1187 C LEU B 374 5.524 11.474 -13.400 1.00 0.00 C ATOM 1188 O LEU B 374 6.121 12.494 -13.061 1.00 0.00 O ATOM 1189 CB LEU B 374 4.035 9.870 -12.196 1.00 0.00 C ATOM 1190 CG LEU B 374 2.625 9.355 -11.914 1.00 0.00 C ATOM 1191 CD1 LEU B 374 2.637 8.373 -10.753 1.00 0.00 C ATOM 1192 CD2 LEU B 374 1.689 10.518 -11.624 1.00 0.00 C ATOM 0 H LEU B 374 2.534 10.403 -14.051 1.00 0.00 H new ATOM 0 HA LEU B 374 3.837 12.028 -12.239 1.00 0.00 H new ATOM 0 HB2 LEU B 374 4.564 9.128 -12.794 1.00 0.00 H new ATOM 0 HB3 LEU B 374 4.570 9.957 -11.250 1.00 0.00 H new ATOM 0 HG LEU B 374 2.262 8.831 -12.798 1.00 0.00 H new ATOM 0 HD11 LEU B 374 1.624 8.017 -10.567 1.00 0.00 H new ATOM 0 HD12 LEU B 374 3.279 7.527 -10.998 1.00 0.00 H new ATOM 0 HD13 LEU B 374 3.017 8.870 -9.860 1.00 0.00 H new ATOM 0 HD21 LEU B 374 0.687 10.138 -11.425 1.00 0.00 H new ATOM 0 HD22 LEU B 374 2.049 11.066 -10.753 1.00 0.00 H new ATOM 0 HD23 LEU B 374 1.659 11.185 -12.486 1.00 0.00 H new ATOM 1204 N TYR B 375 6.085 10.530 -14.151 1.00 0.00 N ATOM 1205 CA TYR B 375 7.467 10.657 -14.622 1.00 0.00 C ATOM 1206 C TYR B 375 7.587 11.450 -15.920 1.00 0.00 C ATOM 1207 O TYR B 375 8.498 12.265 -16.068 1.00 0.00 O ATOM 1208 CB TYR B 375 8.091 9.274 -14.805 1.00 0.00 C ATOM 1209 CG TYR B 375 8.622 8.685 -13.519 1.00 0.00 C ATOM 1210 CD1 TYR B 375 8.002 8.955 -12.306 1.00 0.00 C ATOM 1211 CD2 TYR B 375 9.741 7.861 -13.517 1.00 0.00 C ATOM 1212 CE1 TYR B 375 8.482 8.422 -11.126 1.00 0.00 C ATOM 1213 CE2 TYR B 375 10.226 7.324 -12.339 1.00 0.00 C ATOM 1214 CZ TYR B 375 9.593 7.608 -11.147 1.00 0.00 C ATOM 1215 OH TYR B 375 10.075 7.075 -9.973 1.00 0.00 O ATOM 0 H TYR B 375 5.612 9.676 -14.446 1.00 0.00 H new ATOM 0 HA TYR B 375 8.006 11.214 -13.855 1.00 0.00 H new ATOM 0 HB2 TYR B 375 7.345 8.599 -15.225 1.00 0.00 H new ATOM 0 HB3 TYR B 375 8.903 9.342 -15.528 1.00 0.00 H new ATOM 0 HD1 TYR B 375 7.130 9.592 -12.285 1.00 0.00 H new ATOM 0 HD2 TYR B 375 10.239 7.637 -14.449 1.00 0.00 H new ATOM 0 HE1 TYR B 375 7.989 8.642 -10.191 1.00 0.00 H new ATOM 0 HE2 TYR B 375 11.097 6.685 -12.352 1.00 0.00 H new ATOM 0 HH TYR B 375 10.862 6.523 -10.163 1.00 0.00 H new ATOM 1225 N SER B 376 6.689 11.207 -16.862 1.00 0.00 N ATOM 1226 CA SER B 376 6.732 11.903 -18.143 1.00 0.00 C ATOM 1227 C SER B 376 6.414 13.387 -17.990 1.00 0.00 C ATOM 1228 O SER B 376 6.873 14.209 -18.783 1.00 0.00 O ATOM 1229 CB SER B 376 5.756 11.260 -19.129 1.00 0.00 C ATOM 1230 OG SER B 376 6.236 11.354 -20.459 1.00 0.00 O ATOM 0 H SER B 376 5.925 10.538 -16.767 1.00 0.00 H new ATOM 0 HA SER B 376 7.747 11.816 -18.530 1.00 0.00 H new ATOM 0 HB2 SER B 376 5.607 10.213 -18.866 1.00 0.00 H new ATOM 0 HB3 SER B 376 4.785 11.749 -19.055 1.00 0.00 H new ATOM 0 HG SER B 376 5.594 10.934 -21.069 1.00 0.00 H new ATOM 1236 N LEU B 377 5.627 13.734 -16.972 1.00 0.00 N ATOM 1237 CA LEU B 377 5.264 15.123 -16.743 1.00 0.00 C ATOM 1238 C LEU B 377 6.013 15.686 -15.542 1.00 0.00 C ATOM 1239 O LEU B 377 6.326 16.876 -15.496 1.00 0.00 O ATOM 1240 CB LEU B 377 3.759 15.247 -16.528 1.00 0.00 C ATOM 1241 CG LEU B 377 3.033 16.120 -17.549 1.00 0.00 C ATOM 1242 CD1 LEU B 377 3.454 17.574 -17.403 1.00 0.00 C ATOM 1243 CD2 LEU B 377 3.303 15.624 -18.961 1.00 0.00 C ATOM 0 H LEU B 377 5.234 13.075 -16.300 1.00 0.00 H new ATOM 0 HA LEU B 377 5.544 15.699 -17.625 1.00 0.00 H new ATOM 0 HB2 LEU B 377 3.321 14.249 -16.548 1.00 0.00 H new ATOM 0 HB3 LEU B 377 3.581 15.654 -15.532 1.00 0.00 H new ATOM 0 HG LEU B 377 1.962 16.053 -17.360 1.00 0.00 H new ATOM 0 HD11 LEU B 377 2.927 18.181 -18.139 1.00 0.00 H new ATOM 0 HD12 LEU B 377 3.209 17.925 -16.400 1.00 0.00 H new ATOM 0 HD13 LEU B 377 4.528 17.660 -17.565 1.00 0.00 H new ATOM 0 HD21 LEU B 377 2.778 16.258 -19.676 1.00 0.00 H new ATOM 0 HD22 LEU B 377 4.374 15.661 -19.161 1.00 0.00 H new ATOM 0 HD23 LEU B 377 2.951 14.597 -19.059 1.00 0.00 H new ATOM 1255 N ILE B 378 6.302 14.822 -14.574 1.00 0.00 N ATOM 1256 CA ILE B 378 7.018 15.222 -13.373 1.00 0.00 C ATOM 1257 C ILE B 378 8.066 14.166 -13.024 1.00 0.00 C ATOM 1258 O ILE B 378 8.611 13.517 -13.917 1.00 0.00 O ATOM 1259 CB ILE B 378 6.045 15.412 -12.189 1.00 0.00 C ATOM 1260 CG1 ILE B 378 4.670 15.841 -12.705 1.00 0.00 C ATOM 1261 CG2 ILE B 378 6.589 16.443 -11.208 1.00 0.00 C ATOM 1262 CD1 ILE B 378 4.626 17.276 -13.183 1.00 0.00 C ATOM 0 H ILE B 378 6.048 13.834 -14.601 1.00 0.00 H new ATOM 0 HA ILE B 378 7.511 16.175 -13.564 1.00 0.00 H new ATOM 0 HB ILE B 378 5.944 14.462 -11.665 1.00 0.00 H new ATOM 0 HG12 ILE B 378 4.377 15.184 -13.524 1.00 0.00 H new ATOM 0 HG13 ILE B 378 3.935 15.708 -11.911 1.00 0.00 H new ATOM 0 HG21 ILE B 378 5.889 16.563 -10.381 1.00 0.00 H new ATOM 0 HG22 ILE B 378 7.552 16.106 -10.823 1.00 0.00 H new ATOM 0 HG23 ILE B 378 6.716 17.398 -11.717 1.00 0.00 H new ATOM 0 HD11 ILE B 378 3.622 17.512 -13.535 1.00 0.00 H new ATOM 0 HD12 ILE B 378 4.888 17.942 -12.361 1.00 0.00 H new ATOM 0 HD13 ILE B 378 5.337 17.410 -13.999 1.00 0.00 H new ATOM 1274 N GLY B 379 8.339 13.988 -11.732 1.00 0.00 N ATOM 1275 CA GLY B 379 9.315 13.000 -11.296 1.00 0.00 C ATOM 1276 C GLY B 379 10.408 12.739 -12.317 1.00 0.00 C ATOM 1277 O GLY B 379 10.426 11.688 -12.958 1.00 0.00 O ATOM 0 H GLY B 379 7.899 14.513 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY B 379 9.771 13.337 -10.365 1.00 0.00 H new ATOM 0 HA3 GLY B 379 8.801 12.064 -11.078 1.00 0.00 H new ATOM 1281 N TYR B 380 11.317 13.695 -12.471 1.00 0.00 N ATOM 1282 CA TYR B 380 12.413 13.558 -13.426 1.00 0.00 C ATOM 1283 C TYR B 380 13.631 12.902 -12.776 1.00 0.00 C ATOM 1284 O TYR B 380 14.131 11.887 -13.261 1.00 0.00 O ATOM 1285 CB TYR B 380 12.795 14.923 -14.005 1.00 0.00 C ATOM 1286 CG TYR B 380 12.915 16.015 -12.967 1.00 0.00 C ATOM 1287 CD1 TYR B 380 11.794 16.696 -12.506 1.00 0.00 C ATOM 1288 CD2 TYR B 380 14.154 16.366 -12.449 1.00 0.00 C ATOM 1289 CE1 TYR B 380 11.907 17.694 -11.557 1.00 0.00 C ATOM 1290 CE2 TYR B 380 14.275 17.362 -11.500 1.00 0.00 C ATOM 1291 CZ TYR B 380 13.151 18.023 -11.057 1.00 0.00 C ATOM 1292 OH TYR B 380 13.269 19.015 -10.112 1.00 0.00 O ATOM 0 H TYR B 380 11.318 14.571 -11.949 1.00 0.00 H new ATOM 0 HA TYR B 380 12.071 12.915 -14.237 1.00 0.00 H new ATOM 0 HB2 TYR B 380 13.744 14.830 -14.533 1.00 0.00 H new ATOM 0 HB3 TYR B 380 12.048 15.216 -14.742 1.00 0.00 H new ATOM 0 HD1 TYR B 380 10.820 16.441 -12.896 1.00 0.00 H new ATOM 0 HD2 TYR B 380 15.039 15.851 -12.794 1.00 0.00 H new ATOM 0 HE1 TYR B 380 11.027 18.214 -11.208 1.00 0.00 H new ATOM 0 HE2 TYR B 380 15.247 17.621 -11.107 1.00 0.00 H new ATOM 0 HH TYR B 380 12.382 19.378 -9.906 1.00 0.00 H new ATOM 1302 N ALA B 381 14.105 13.486 -11.679 1.00 0.00 N ATOM 1303 CA ALA B 381 15.264 12.950 -10.972 1.00 0.00 C ATOM 1304 C ALA B 381 15.560 13.747 -9.706 1.00 0.00 C ATOM 1305 O ALA B 381 15.759 13.176 -8.633 1.00 0.00 O ATOM 1306 CB ALA B 381 16.489 12.934 -11.874 1.00 0.00 C ATOM 0 H ALA B 381 13.706 14.327 -11.262 1.00 0.00 H new ATOM 0 HA ALA B 381 15.025 11.926 -10.684 1.00 0.00 H new ATOM 0 HB1 ALA B 381 17.340 12.531 -11.325 1.00 0.00 H new ATOM 0 HB2 ALA B 381 16.291 12.310 -12.746 1.00 0.00 H new ATOM 0 HB3 ALA B 381 16.715 13.950 -12.198 1.00 0.00 H new ATOM 1312 N SER B 382 15.592 15.069 -9.840 1.00 0.00 N ATOM 1313 CA SER B 382 15.866 15.949 -8.710 1.00 0.00 C ATOM 1314 C SER B 382 14.588 16.274 -7.944 1.00 0.00 C ATOM 1315 O SER B 382 14.548 17.222 -7.160 1.00 0.00 O ATOM 1316 CB SER B 382 16.525 17.242 -9.194 1.00 0.00 C ATOM 1317 OG SER B 382 17.211 17.040 -10.417 1.00 0.00 O ATOM 0 H SER B 382 15.431 15.555 -10.722 1.00 0.00 H new ATOM 0 HA SER B 382 16.547 15.429 -8.036 1.00 0.00 H new ATOM 0 HB2 SER B 382 15.766 18.014 -9.323 1.00 0.00 H new ATOM 0 HB3 SER B 382 17.222 17.603 -8.438 1.00 0.00 H new ATOM 0 HG SER B 382 17.621 17.882 -10.705 1.00 0.00 H new ATOM 1323 N LEU B 383 13.545 15.483 -8.175 1.00 0.00 N ATOM 1324 CA LEU B 383 12.267 15.688 -7.501 1.00 0.00 C ATOM 1325 C LEU B 383 12.076 14.672 -6.383 1.00 0.00 C ATOM 1326 O LEU B 383 11.385 14.934 -5.399 1.00 0.00 O ATOM 1327 CB LEU B 383 11.115 15.583 -8.502 1.00 0.00 C ATOM 1328 CG LEU B 383 9.945 16.533 -8.244 1.00 0.00 C ATOM 1329 CD1 LEU B 383 10.278 17.936 -8.730 1.00 0.00 C ATOM 1330 CD2 LEU B 383 8.685 16.017 -8.922 1.00 0.00 C ATOM 0 H LEU B 383 13.559 14.695 -8.823 1.00 0.00 H new ATOM 0 HA LEU B 383 12.270 16.687 -7.065 1.00 0.00 H new ATOM 0 HB2 LEU B 383 11.504 15.774 -9.502 1.00 0.00 H new ATOM 0 HB3 LEU B 383 10.740 14.559 -8.496 1.00 0.00 H new ATOM 0 HG LEU B 383 9.766 16.577 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU B 383 9.433 18.598 -8.538 1.00 0.00 H new ATOM 0 HD12 LEU B 383 11.156 18.306 -8.201 1.00 0.00 H new ATOM 0 HD13 LEU B 383 10.483 17.911 -9.800 1.00 0.00 H new ATOM 0 HD21 LEU B 383 7.861 16.704 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU B 383 8.854 15.945 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU B 383 8.436 15.032 -8.527 1.00 0.00 H new ATOM 1342 N ARG B 384 12.698 13.509 -6.542 1.00 0.00 N ATOM 1343 CA ARG B 384 12.603 12.448 -5.548 1.00 0.00 C ATOM 1344 C ARG B 384 11.163 11.972 -5.394 1.00 0.00 C ATOM 1345 O ARG B 384 10.821 11.297 -4.423 1.00 0.00 O ATOM 1346 CB ARG B 384 13.140 12.930 -4.200 1.00 0.00 C ATOM 1347 CG ARG B 384 13.454 11.799 -3.235 1.00 0.00 C ATOM 1348 CD ARG B 384 14.915 11.391 -3.313 1.00 0.00 C ATOM 1349 NE ARG B 384 15.809 12.543 -3.230 1.00 0.00 N ATOM 1350 CZ ARG B 384 16.164 13.116 -2.086 1.00 0.00 C ATOM 1351 NH1 ARG B 384 15.699 12.646 -0.936 1.00 0.00 N ATOM 1352 NH2 ARG B 384 16.981 14.159 -2.089 1.00 0.00 N ATOM 0 H ARG B 384 13.274 13.278 -7.351 1.00 0.00 H new ATOM 0 HA ARG B 384 13.209 11.610 -5.892 1.00 0.00 H new ATOM 0 HB2 ARG B 384 14.043 13.517 -4.366 1.00 0.00 H new ATOM 0 HB3 ARG B 384 12.408 13.595 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG B 384 13.216 12.110 -2.218 1.00 0.00 H new ATOM 0 HG3 ARG B 384 12.823 10.940 -3.462 1.00 0.00 H new ATOM 0 HD2 ARG B 384 15.142 10.697 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG B 384 15.094 10.860 -4.248 1.00 0.00 H new ATOM 0 HE ARG B 384 16.181 12.928 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG B 384 15.069 11.844 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG B 384 15.972 13.086 -0.057 1.00 0.00 H new ATOM 0 HH21 ARG B 384 17.339 14.524 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG B 384 17.252 14.597 -1.209 1.00 0.00 H new ATOM 1366 N LEU B 385 10.321 12.326 -6.360 1.00 0.00 N ATOM 1367 CA LEU B 385 8.920 11.934 -6.333 1.00 0.00 C ATOM 1368 C LEU B 385 8.783 10.453 -6.031 1.00 0.00 C ATOM 1369 O LEU B 385 9.420 9.616 -6.671 1.00 0.00 O ATOM 1370 CB LEU B 385 8.248 12.261 -7.667 1.00 0.00 C ATOM 1371 CG LEU B 385 6.718 12.261 -7.640 1.00 0.00 C ATOM 1372 CD1 LEU B 385 6.173 13.255 -8.652 1.00 0.00 C ATOM 1373 CD2 LEU B 385 6.181 10.864 -7.915 1.00 0.00 C ATOM 0 H LEU B 385 10.587 12.884 -7.171 1.00 0.00 H new ATOM 0 HA LEU B 385 8.425 12.497 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU B 385 8.590 13.242 -7.998 1.00 0.00 H new ATOM 0 HB3 LEU B 385 8.583 11.539 -8.412 1.00 0.00 H new ATOM 0 HG LEU B 385 6.387 12.564 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU B 385 5.083 13.244 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU B 385 6.533 14.255 -8.410 1.00 0.00 H new ATOM 0 HD13 LEU B 385 6.511 12.980 -9.651 1.00 0.00 H new ATOM 0 HD21 LEU B 385 5.091 10.882 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU B 385 6.518 10.531 -8.897 1.00 0.00 H new ATOM 0 HD23 LEU B 385 6.549 10.176 -7.153 1.00 0.00 H new ATOM 1385 N HIS B 386 7.954 10.133 -5.048 1.00 0.00 N ATOM 1386 CA HIS B 386 7.751 8.742 -4.667 1.00 0.00 C ATOM 1387 C HIS B 386 6.437 8.533 -3.925 1.00 0.00 C ATOM 1388 O HIS B 386 6.066 9.315 -3.045 1.00 0.00 O ATOM 1389 CB HIS B 386 8.920 8.256 -3.804 1.00 0.00 C ATOM 1390 CG HIS B 386 8.746 8.522 -2.339 1.00 0.00 C ATOM 1391 ND1 HIS B 386 9.653 9.246 -1.592 1.00 0.00 N ATOM 1392 CD2 HIS B 386 7.765 8.153 -1.479 1.00 0.00 C ATOM 1393 CE1 HIS B 386 9.236 9.312 -0.339 1.00 0.00 C ATOM 1394 NE2 HIS B 386 8.094 8.657 -0.246 1.00 0.00 N ATOM 0 H HIS B 386 7.416 10.809 -4.505 1.00 0.00 H new ATOM 0 HA HIS B 386 7.705 8.158 -5.586 1.00 0.00 H new ATOM 0 HB2 HIS B 386 9.050 7.184 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS B 386 9.836 8.739 -4.145 1.00 0.00 H new ATOM 0 HD2 HIS B 386 6.888 7.571 -1.720 1.00 0.00 H new ATOM 0 HE1 HIS B 386 9.743 9.816 0.470 1.00 0.00 H new ATOM 0 HE2 HIS B 386 7.544 8.544 0.606 1.00 0.00 H new ATOM 1403 N TYR B 387 5.744 7.461 -4.286 1.00 0.00 N ATOM 1404 CA TYR B 387 4.481 7.112 -3.658 1.00 0.00 C ATOM 1405 C TYR B 387 4.716 6.251 -2.428 1.00 0.00 C ATOM 1406 O TYR B 387 5.782 5.658 -2.260 1.00 0.00 O ATOM 1407 CB TYR B 387 3.592 6.343 -4.630 1.00 0.00 C ATOM 1408 CG TYR B 387 2.883 7.224 -5.617 1.00 0.00 C ATOM 1409 CD1 TYR B 387 3.598 8.084 -6.433 1.00 0.00 C ATOM 1410 CD2 TYR B 387 1.502 7.197 -5.734 1.00 0.00 C ATOM 1411 CE1 TYR B 387 2.959 8.896 -7.341 1.00 0.00 C ATOM 1412 CE2 TYR B 387 0.850 8.004 -6.639 1.00 0.00 C ATOM 1413 CZ TYR B 387 1.583 8.855 -7.443 1.00 0.00 C ATOM 1414 OH TYR B 387 0.940 9.665 -8.352 1.00 0.00 O ATOM 0 H TYR B 387 6.040 6.815 -5.017 1.00 0.00 H new ATOM 0 HA TYR B 387 3.988 8.040 -3.367 1.00 0.00 H new ATOM 0 HB2 TYR B 387 4.201 5.620 -5.172 1.00 0.00 H new ATOM 0 HB3 TYR B 387 2.853 5.777 -4.064 1.00 0.00 H new ATOM 0 HD1 TYR B 387 4.675 8.118 -6.355 1.00 0.00 H new ATOM 0 HD2 TYR B 387 0.928 6.532 -5.105 1.00 0.00 H new ATOM 0 HE1 TYR B 387 3.531 9.562 -7.971 1.00 0.00 H new ATOM 0 HE2 TYR B 387 -0.227 7.972 -6.720 1.00 0.00 H new ATOM 0 HH TYR B 387 0.031 9.853 -8.037 1.00 0.00 H new ATOM 1424 N VAL B 388 3.700 6.165 -1.588 1.00 0.00 N ATOM 1425 CA VAL B 388 3.766 5.353 -0.386 1.00 0.00 C ATOM 1426 C VAL B 388 2.454 4.607 -0.190 1.00 0.00 C ATOM 1427 O VAL B 388 1.390 5.105 -0.551 1.00 0.00 O ATOM 1428 CB VAL B 388 4.071 6.198 0.866 1.00 0.00 C ATOM 1429 CG1 VAL B 388 5.530 6.048 1.271 1.00 0.00 C ATOM 1430 CG2 VAL B 388 3.727 7.658 0.623 1.00 0.00 C ATOM 0 H VAL B 388 2.813 6.652 -1.718 1.00 0.00 H new ATOM 0 HA VAL B 388 4.582 4.643 -0.517 1.00 0.00 H new ATOM 0 HB VAL B 388 3.451 5.834 1.685 1.00 0.00 H new ATOM 0 HG11 VAL B 388 5.726 6.652 2.157 1.00 0.00 H new ATOM 0 HG12 VAL B 388 5.741 5.002 1.492 1.00 0.00 H new ATOM 0 HG13 VAL B 388 6.170 6.383 0.455 1.00 0.00 H new ATOM 0 HG21 VAL B 388 3.949 8.238 1.519 1.00 0.00 H new ATOM 0 HG22 VAL B 388 4.318 8.037 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL B 388 2.667 7.748 0.387 1.00 0.00 H new ATOM 1440 N THR B 389 2.532 3.415 0.379 1.00 0.00 N ATOM 1441 CA THR B 389 1.340 2.614 0.614 1.00 0.00 C ATOM 1442 C THR B 389 1.062 2.490 2.103 1.00 0.00 C ATOM 1443 O THR B 389 1.791 1.817 2.832 1.00 0.00 O ATOM 1444 CB THR B 389 1.466 1.212 -0.026 1.00 0.00 C ATOM 1445 OG1 THR B 389 0.933 1.205 -1.357 1.00 0.00 O ATOM 1446 CG2 THR B 389 0.735 0.142 0.785 1.00 0.00 C ATOM 0 H THR B 389 3.403 2.982 0.686 1.00 0.00 H new ATOM 0 HA THR B 389 0.501 3.126 0.142 1.00 0.00 H new ATOM 0 HB THR B 389 2.531 0.981 -0.044 1.00 0.00 H new ATOM 0 HG1 THR B 389 1.025 0.308 -1.742 1.00 0.00 H new ATOM 0 HG21 THR B 389 0.851 -0.826 0.298 1.00 0.00 H new ATOM 0 HG22 THR B 389 1.156 0.096 1.789 1.00 0.00 H new ATOM 0 HG23 THR B 389 -0.324 0.393 0.847 1.00 0.00 H new ATOM 1454 N VAL B 390 0.000 3.142 2.543 1.00 0.00 N ATOM 1455 CA VAL B 390 -0.387 3.108 3.938 1.00 0.00 C ATOM 1456 C VAL B 390 -1.702 2.360 4.110 1.00 0.00 C ATOM 1457 O VAL B 390 -2.506 2.263 3.181 1.00 0.00 O ATOM 1458 CB VAL B 390 -0.520 4.531 4.514 1.00 0.00 C ATOM 1459 CG1 VAL B 390 0.822 5.245 4.481 1.00 0.00 C ATOM 1460 CG2 VAL B 390 -1.568 5.320 3.746 1.00 0.00 C ATOM 0 H VAL B 390 -0.611 3.703 1.949 1.00 0.00 H new ATOM 0 HA VAL B 390 0.397 2.585 4.485 1.00 0.00 H new ATOM 0 HB VAL B 390 -0.842 4.456 5.553 1.00 0.00 H new ATOM 0 HG11 VAL B 390 0.710 6.249 4.891 1.00 0.00 H new ATOM 0 HG12 VAL B 390 1.545 4.688 5.077 1.00 0.00 H new ATOM 0 HG13 VAL B 390 1.174 5.311 3.451 1.00 0.00 H new ATOM 0 HG21 VAL B 390 -1.649 6.323 4.166 1.00 0.00 H new ATOM 0 HG22 VAL B 390 -1.276 5.388 2.698 1.00 0.00 H new ATOM 0 HG23 VAL B 390 -2.531 4.816 3.822 1.00 0.00 H new ATOM 1470 N LYS B 391 -1.912 1.818 5.298 1.00 0.00 N ATOM 1471 CA LYS B 391 -3.127 1.072 5.584 1.00 0.00 C ATOM 1472 C LYS B 391 -3.158 -0.223 4.779 1.00 0.00 C ATOM 1473 O LYS B 391 -3.958 -0.370 3.854 1.00 0.00 O ATOM 1474 CB LYS B 391 -4.357 1.923 5.261 1.00 0.00 C ATOM 1475 CG LYS B 391 -5.616 1.498 6.002 1.00 0.00 C ATOM 1476 CD LYS B 391 -5.606 0.014 6.330 1.00 0.00 C ATOM 1477 CE LYS B 391 -6.884 -0.408 7.036 1.00 0.00 C ATOM 1478 NZ LYS B 391 -6.635 -0.781 8.457 1.00 0.00 N ATOM 0 H LYS B 391 -1.259 1.880 6.079 1.00 0.00 H new ATOM 0 HA LYS B 391 -3.140 0.822 6.645 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -4.140 2.963 5.502 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -4.546 1.877 4.189 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -5.707 2.073 6.924 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -6.491 1.730 5.394 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -5.489 -0.562 5.412 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -4.747 -0.215 6.962 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -7.607 0.406 6.996 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -7.327 -1.254 6.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -7.531 -1.063 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -5.964 -1.575 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -6.236 0.034 8.965 1.00 0.00 H new ATOM 1492 N LYS B 392 -2.278 -1.155 5.130 1.00 0.00 N ATOM 1493 CA LYS B 392 -2.201 -2.432 4.431 1.00 0.00 C ATOM 1494 C LYS B 392 -3.558 -3.128 4.408 1.00 0.00 C ATOM 1495 O LYS B 392 -4.366 -2.966 5.322 1.00 0.00 O ATOM 1496 CB LYS B 392 -1.157 -3.336 5.091 1.00 0.00 C ATOM 1497 CG LYS B 392 0.181 -2.652 5.316 1.00 0.00 C ATOM 1498 CD LYS B 392 1.170 -2.982 4.210 1.00 0.00 C ATOM 1499 CE LYS B 392 2.598 -3.004 4.728 1.00 0.00 C ATOM 1500 NZ LYS B 392 3.584 -3.218 3.633 1.00 0.00 N ATOM 0 H LYS B 392 -1.609 -1.050 5.893 1.00 0.00 H new ATOM 0 HA LYS B 392 -1.902 -2.235 3.402 1.00 0.00 H new ATOM 0 HB2 LYS B 392 -1.543 -3.685 6.049 1.00 0.00 H new ATOM 0 HB3 LYS B 392 -1.005 -4.218 4.468 1.00 0.00 H new ATOM 0 HG2 LYS B 392 0.035 -1.573 5.365 1.00 0.00 H new ATOM 0 HG3 LYS B 392 0.592 -2.962 6.277 1.00 0.00 H new ATOM 0 HD2 LYS B 392 0.924 -3.952 3.778 1.00 0.00 H new ATOM 0 HD3 LYS B 392 1.083 -2.246 3.411 1.00 0.00 H new ATOM 0 HE2 LYS B 392 2.815 -2.063 5.233 1.00 0.00 H new ATOM 0 HE3 LYS B 392 2.703 -3.795 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 392 4.546 -3.226 4.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 392 3.393 -4.128 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 392 3.503 -2.449 2.937 1.00 0.00 H new ATOM 1514 N PRO B 393 -3.826 -3.911 3.351 1.00 0.00 N ATOM 1515 CA PRO B 393 -5.090 -4.635 3.192 1.00 0.00 C ATOM 1516 C PRO B 393 -5.208 -5.817 4.142 1.00 0.00 C ATOM 1517 O PRO B 393 -4.219 -6.258 4.729 1.00 0.00 O ATOM 1518 CB PRO B 393 -5.046 -5.141 1.742 1.00 0.00 C ATOM 1519 CG PRO B 393 -3.886 -4.449 1.108 1.00 0.00 C ATOM 1520 CD PRO B 393 -2.926 -4.152 2.219 1.00 0.00 C ATOM 0 HA PRO B 393 -5.943 -3.993 3.413 1.00 0.00 H new ATOM 0 HB2 PRO B 393 -4.922 -6.223 1.709 1.00 0.00 H new ATOM 0 HB3 PRO B 393 -5.974 -4.910 1.218 1.00 0.00 H new ATOM 0 HG2 PRO B 393 -3.422 -5.080 0.350 1.00 0.00 H new ATOM 0 HG3 PRO B 393 -4.203 -3.532 0.610 1.00 0.00 H new ATOM 0 HD2 PRO B 393 -2.250 -4.986 2.407 1.00 0.00 H new ATOM 0 HD3 PRO B 393 -2.306 -3.283 2.000 1.00 0.00 H new ATOM 1528 N THR B 394 -6.423 -6.332 4.282 1.00 0.00 N ATOM 1529 CA THR B 394 -6.666 -7.474 5.156 1.00 0.00 C ATOM 1530 C THR B 394 -7.922 -8.235 4.745 1.00 0.00 C ATOM 1531 O THR B 394 -8.735 -7.736 3.966 1.00 0.00 O ATOM 1532 CB THR B 394 -6.800 -7.041 6.628 1.00 0.00 C ATOM 1533 OG1 THR B 394 -8.160 -6.729 6.959 1.00 0.00 O ATOM 1534 CG2 THR B 394 -5.941 -5.818 6.911 1.00 0.00 C ATOM 0 H THR B 394 -7.252 -5.979 3.804 1.00 0.00 H new ATOM 0 HA THR B 394 -5.802 -8.130 5.055 1.00 0.00 H new ATOM 0 HB THR B 394 -6.464 -7.879 7.238 1.00 0.00 H new ATOM 0 HG1 THR B 394 -8.188 -6.259 7.818 1.00 0.00 H new ATOM 0 HG21 THR B 394 -6.051 -5.530 7.956 1.00 0.00 H new ATOM 0 HG22 THR B 394 -4.896 -6.052 6.707 1.00 0.00 H new ATOM 0 HG23 THR B 394 -6.259 -4.994 6.272 1.00 0.00 H new ATOM 1542 N ALA B 395 -8.075 -9.443 5.280 1.00 0.00 N ATOM 1543 CA ALA B 395 -9.235 -10.273 4.976 1.00 0.00 C ATOM 1544 C ALA B 395 -10.450 -9.827 5.787 1.00 0.00 C ATOM 1545 O ALA B 395 -11.513 -10.442 5.724 1.00 0.00 O ATOM 1546 CB ALA B 395 -8.935 -11.740 5.242 1.00 0.00 C ATOM 0 H ALA B 395 -7.410 -9.868 5.926 1.00 0.00 H new ATOM 0 HA ALA B 395 -9.463 -10.153 3.917 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -9.815 -12.340 5.008 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -8.101 -12.060 4.617 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -8.674 -11.873 6.292 1.00 0.00 H new ATOM 1552 N VAL B 396 -10.286 -8.736 6.530 1.00 0.00 N ATOM 1553 CA VAL B 396 -11.360 -8.180 7.337 1.00 0.00 C ATOM 1554 C VAL B 396 -11.471 -6.686 7.077 1.00 0.00 C ATOM 1555 O VAL B 396 -12.088 -5.948 7.844 1.00 0.00 O ATOM 1556 CB VAL B 396 -11.125 -8.414 8.839 1.00 0.00 C ATOM 1557 CG1 VAL B 396 -10.801 -9.875 9.109 1.00 0.00 C ATOM 1558 CG2 VAL B 396 -10.013 -7.510 9.347 1.00 0.00 C ATOM 0 H VAL B 396 -9.409 -8.218 6.588 1.00 0.00 H new ATOM 0 HA VAL B 396 -12.283 -8.685 7.054 1.00 0.00 H new ATOM 0 HB VAL B 396 -12.040 -8.166 9.376 1.00 0.00 H new ATOM 0 HG11 VAL B 396 -10.638 -10.020 10.177 1.00 0.00 H new ATOM 0 HG12 VAL B 396 -11.632 -10.499 8.781 1.00 0.00 H new ATOM 0 HG13 VAL B 396 -9.900 -10.155 8.563 1.00 0.00 H new ATOM 0 HG21 VAL B 396 -9.858 -7.687 10.411 1.00 0.00 H new ATOM 0 HG22 VAL B 396 -9.092 -7.726 8.805 1.00 0.00 H new ATOM 0 HG23 VAL B 396 -10.291 -6.468 9.189 1.00 0.00 H new ATOM 1568 N ASP B 397 -10.868 -6.263 5.971 1.00 0.00 N ATOM 1569 CA ASP B 397 -10.873 -4.870 5.552 1.00 0.00 C ATOM 1570 C ASP B 397 -9.828 -4.650 4.461 1.00 0.00 C ATOM 1571 O ASP B 397 -8.896 -3.864 4.626 1.00 0.00 O ATOM 1572 CB ASP B 397 -10.599 -3.937 6.734 1.00 0.00 C ATOM 1573 CG ASP B 397 -9.289 -4.249 7.429 1.00 0.00 C ATOM 1574 OD1 ASP B 397 -8.227 -3.858 6.898 1.00 0.00 O ATOM 1575 OD2 ASP B 397 -9.324 -4.881 8.504 1.00 0.00 O ATOM 0 H ASP B 397 -10.360 -6.881 5.338 1.00 0.00 H new ATOM 0 HA ASP B 397 -11.862 -4.637 5.158 1.00 0.00 H new ATOM 0 HB2 ASP B 397 -10.583 -2.905 6.382 1.00 0.00 H new ATOM 0 HB3 ASP B 397 -11.415 -4.016 7.452 1.00 0.00 H new ATOM 1580 N PRO B 398 -9.976 -5.356 3.327 1.00 0.00 N ATOM 1581 CA PRO B 398 -9.050 -5.256 2.198 1.00 0.00 C ATOM 1582 C PRO B 398 -8.577 -3.829 1.942 1.00 0.00 C ATOM 1583 O PRO B 398 -7.381 -3.561 1.876 1.00 0.00 O ATOM 1584 CB PRO B 398 -9.900 -5.744 1.027 1.00 0.00 C ATOM 1585 CG PRO B 398 -10.845 -6.730 1.624 1.00 0.00 C ATOM 1586 CD PRO B 398 -11.066 -6.314 3.058 1.00 0.00 C ATOM 0 HA PRO B 398 -8.136 -5.825 2.368 1.00 0.00 H new ATOM 0 HB2 PRO B 398 -10.435 -4.919 0.556 1.00 0.00 H new ATOM 0 HB3 PRO B 398 -9.283 -6.205 0.256 1.00 0.00 H new ATOM 0 HG2 PRO B 398 -11.787 -6.742 1.076 1.00 0.00 H new ATOM 0 HG3 PRO B 398 -10.434 -7.738 1.574 1.00 0.00 H new ATOM 0 HD2 PRO B 398 -12.044 -5.853 3.193 1.00 0.00 H new ATOM 0 HD3 PRO B 398 -11.021 -7.169 3.733 1.00 0.00 H new ATOM 1594 N ASN B 399 -9.538 -2.934 1.771 1.00 0.00 N ATOM 1595 CA ASN B 399 -9.272 -1.524 1.485 1.00 0.00 C ATOM 1596 C ASN B 399 -7.872 -1.097 1.917 1.00 0.00 C ATOM 1597 O ASN B 399 -7.405 -1.450 3.000 1.00 0.00 O ATOM 1598 CB ASN B 399 -10.319 -0.641 2.162 1.00 0.00 C ATOM 1599 CG ASN B 399 -10.342 -0.830 3.661 1.00 0.00 C ATOM 1600 OD1 ASN B 399 -11.292 -1.381 4.216 1.00 0.00 O ATOM 1601 ND2 ASN B 399 -9.292 -0.372 4.326 1.00 0.00 N ATOM 0 H ASN B 399 -10.531 -3.162 1.826 1.00 0.00 H new ATOM 0 HA ASN B 399 -9.331 -1.400 0.404 1.00 0.00 H new ATOM 0 HB2 ASN B 399 -10.113 0.405 1.932 1.00 0.00 H new ATOM 0 HB3 ASN B 399 -11.303 -0.869 1.754 1.00 0.00 H new ATOM 0 HD21 ASN B 399 -9.249 -0.470 5.340 1.00 0.00 H new ATOM 0 HD22 ASN B 399 -8.527 0.078 3.824 1.00 0.00 H new ATOM 1608 N SER B 400 -7.216 -0.328 1.055 1.00 0.00 N ATOM 1609 CA SER B 400 -5.872 0.171 1.323 1.00 0.00 C ATOM 1610 C SER B 400 -5.719 1.582 0.764 1.00 0.00 C ATOM 1611 O SER B 400 -6.246 1.892 -0.304 1.00 0.00 O ATOM 1612 CB SER B 400 -4.826 -0.758 0.705 1.00 0.00 C ATOM 1613 OG SER B 400 -3.656 -0.812 1.502 1.00 0.00 O ATOM 0 H SER B 400 -7.598 -0.034 0.156 1.00 0.00 H new ATOM 0 HA SER B 400 -5.717 0.199 2.402 1.00 0.00 H new ATOM 0 HB2 SER B 400 -5.243 -1.759 0.598 1.00 0.00 H new ATOM 0 HB3 SER B 400 -4.572 -0.409 -0.296 1.00 0.00 H new ATOM 0 HG SER B 400 -3.896 -1.064 2.418 1.00 0.00 H new ATOM 1619 N ILE B 401 -5.014 2.442 1.492 1.00 0.00 N ATOM 1620 CA ILE B 401 -4.826 3.812 1.061 1.00 0.00 C ATOM 1621 C ILE B 401 -3.382 4.087 0.668 1.00 0.00 C ATOM 1622 O ILE B 401 -2.442 3.641 1.324 1.00 0.00 O ATOM 1623 CB ILE B 401 -5.281 4.794 2.158 1.00 0.00 C ATOM 1624 CG1 ILE B 401 -4.768 6.215 1.889 1.00 0.00 C ATOM 1625 CG2 ILE B 401 -4.836 4.311 3.527 1.00 0.00 C ATOM 1626 CD1 ILE B 401 -5.873 7.224 1.673 1.00 0.00 C ATOM 0 H ILE B 401 -4.567 2.210 2.379 1.00 0.00 H new ATOM 0 HA ILE B 401 -5.444 3.963 0.176 1.00 0.00 H new ATOM 0 HB ILE B 401 -6.370 4.829 2.141 1.00 0.00 H new ATOM 0 HG12 ILE B 401 -4.153 6.536 2.730 1.00 0.00 H new ATOM 0 HG13 ILE B 401 -4.124 6.200 1.010 1.00 0.00 H new ATOM 0 HG21 ILE B 401 -5.167 5.018 4.288 1.00 0.00 H new ATOM 0 HG22 ILE B 401 -5.272 3.332 3.727 1.00 0.00 H new ATOM 0 HG23 ILE B 401 -3.749 4.235 3.550 1.00 0.00 H new ATOM 0 HD11 ILE B 401 -5.438 8.206 1.488 1.00 0.00 H new ATOM 0 HD12 ILE B 401 -6.475 6.926 0.814 1.00 0.00 H new ATOM 0 HD13 ILE B 401 -6.504 7.268 2.560 1.00 0.00 H new ATOM 1638 N VAL B 402 -3.225 4.834 -0.414 1.00 0.00 N ATOM 1639 CA VAL B 402 -1.913 5.194 -0.924 1.00 0.00 C ATOM 1640 C VAL B 402 -1.580 6.627 -0.541 1.00 0.00 C ATOM 1641 O VAL B 402 -2.412 7.333 0.036 1.00 0.00 O ATOM 1642 CB VAL B 402 -1.845 5.037 -2.458 1.00 0.00 C ATOM 1643 CG1 VAL B 402 -0.493 4.481 -2.880 1.00 0.00 C ATOM 1644 CG2 VAL B 402 -2.970 4.136 -2.945 1.00 0.00 C ATOM 0 H VAL B 402 -4.001 5.206 -0.961 1.00 0.00 H new ATOM 0 HA VAL B 402 -1.183 4.518 -0.478 1.00 0.00 H new ATOM 0 HB VAL B 402 -1.966 6.020 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL B 402 -0.465 4.378 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL B 402 0.296 5.161 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL B 402 -0.341 3.505 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL B 402 -2.911 4.033 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL B 402 -2.876 3.154 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL B 402 -3.930 4.574 -2.674 1.00 0.00 H new ATOM 1654 N GLU B 403 -0.376 7.065 -0.886 1.00 0.00 N ATOM 1655 CA GLU B 403 0.049 8.424 -0.586 1.00 0.00 C ATOM 1656 C GLU B 403 1.150 8.870 -1.539 1.00 0.00 C ATOM 1657 O GLU B 403 2.295 8.434 -1.432 1.00 0.00 O ATOM 1658 CB GLU B 403 0.529 8.529 0.863 1.00 0.00 C ATOM 1659 CG GLU B 403 -0.512 9.108 1.807 1.00 0.00 C ATOM 1660 CD GLU B 403 0.056 9.437 3.172 1.00 0.00 C ATOM 1661 OE1 GLU B 403 0.692 8.552 3.782 1.00 0.00 O ATOM 1662 OE2 GLU B 403 -0.134 10.582 3.634 1.00 0.00 O ATOM 0 H GLU B 403 0.321 6.500 -1.372 1.00 0.00 H new ATOM 0 HA GLU B 403 -0.809 9.083 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU B 403 0.816 7.538 1.215 1.00 0.00 H new ATOM 0 HB3 GLU B 403 1.424 9.150 0.897 1.00 0.00 H new ATOM 0 HG2 GLU B 403 -0.934 10.011 1.366 1.00 0.00 H new ATOM 0 HG3 GLU B 403 -1.330 8.396 1.920 1.00 0.00 H new ATOM 1669 N CYS B 404 0.801 9.754 -2.464 1.00 0.00 N ATOM 1670 CA CYS B 404 1.767 10.270 -3.421 1.00 0.00 C ATOM 1671 C CYS B 404 2.440 11.494 -2.832 1.00 0.00 C ATOM 1672 O CYS B 404 1.764 12.417 -2.369 1.00 0.00 O ATOM 1673 CB CYS B 404 1.095 10.626 -4.751 1.00 0.00 C ATOM 1674 SG CYS B 404 -0.591 9.993 -4.934 1.00 0.00 S ATOM 0 H CYS B 404 -0.142 10.127 -2.571 1.00 0.00 H new ATOM 0 HA CYS B 404 2.510 9.498 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS B 404 1.075 11.711 -4.855 1.00 0.00 H new ATOM 0 HB3 CYS B 404 1.705 10.239 -5.567 1.00 0.00 H new ATOM 0 HG CYS B 404 -0.763 9.561 -6.148 1.00 0.00 H new ATOM 1680 N ARG B 405 3.767 11.509 -2.839 1.00 0.00 N ATOM 1681 CA ARG B 405 4.491 12.638 -2.284 1.00 0.00 C ATOM 1682 C ARG B 405 5.878 12.771 -2.896 1.00 0.00 C ATOM 1683 O ARG B 405 6.318 11.919 -3.668 1.00 0.00 O ATOM 1684 CB ARG B 405 4.577 12.498 -0.762 1.00 0.00 C ATOM 1685 CG ARG B 405 5.822 11.773 -0.268 1.00 0.00 C ATOM 1686 CD ARG B 405 6.070 12.040 1.209 1.00 0.00 C ATOM 1687 NE ARG B 405 7.135 11.197 1.750 1.00 0.00 N ATOM 1688 CZ ARG B 405 7.358 11.036 3.051 1.00 0.00 C ATOM 1689 NH1 ARG B 405 6.594 11.660 3.939 1.00 0.00 N ATOM 1690 NH2 ARG B 405 8.345 10.252 3.466 1.00 0.00 N ATOM 0 H ARG B 405 4.353 10.764 -3.217 1.00 0.00 H new ATOM 0 HA ARG B 405 3.945 13.549 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG B 405 4.549 13.492 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG B 405 3.695 11.964 -0.408 1.00 0.00 H new ATOM 0 HG2 ARG B 405 5.710 10.701 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG B 405 6.687 12.095 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG B 405 6.333 13.089 1.348 1.00 0.00 H new ATOM 0 HD3 ARG B 405 5.151 11.865 1.768 1.00 0.00 H new ATOM 0 HE ARG B 405 7.741 10.705 1.093 1.00 0.00 H new ATOM 0 HH11 ARG B 405 5.835 12.264 3.624 1.00 0.00 H new ATOM 0 HH12 ARG B 405 6.766 11.536 4.937 1.00 0.00 H new ATOM 0 HH21 ARG B 405 8.935 9.771 2.786 1.00 0.00 H new ATOM 0 HH22 ARG B 405 8.514 10.130 4.464 1.00 0.00 H new ATOM 1704 N VAL B 406 6.552 13.859 -2.550 1.00 0.00 N ATOM 1705 CA VAL B 406 7.884 14.137 -3.064 1.00 0.00 C ATOM 1706 C VAL B 406 8.826 14.546 -1.938 1.00 0.00 C ATOM 1707 O VAL B 406 8.473 15.379 -1.103 1.00 0.00 O ATOM 1708 CB VAL B 406 7.839 15.263 -4.113 1.00 0.00 C ATOM 1709 CG1 VAL B 406 7.832 14.689 -5.516 1.00 0.00 C ATOM 1710 CG2 VAL B 406 6.617 16.135 -3.891 1.00 0.00 C ATOM 0 H VAL B 406 6.194 14.568 -1.910 1.00 0.00 H new ATOM 0 HA VAL B 406 8.254 13.223 -3.529 1.00 0.00 H new ATOM 0 HB VAL B 406 8.733 15.876 -4.001 1.00 0.00 H new ATOM 0 HG11 VAL B 406 7.800 15.502 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL B 406 8.735 14.099 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL B 406 6.956 14.053 -5.645 1.00 0.00 H new ATOM 0 HG21 VAL B 406 6.595 16.928 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL B 406 5.716 15.528 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL B 406 6.661 16.576 -2.895 1.00 0.00 H new ATOM 1720 N GLY B 407 10.015 13.943 -1.917 1.00 0.00 N ATOM 1721 CA GLY B 407 10.997 14.240 -0.888 1.00 0.00 C ATOM 1722 C GLY B 407 10.924 15.664 -0.374 1.00 0.00 C ATOM 1723 O GLY B 407 11.205 15.922 0.797 1.00 0.00 O ATOM 0 H GLY B 407 10.316 13.249 -2.601 1.00 0.00 H new ATOM 0 HA2 GLY B 407 10.856 13.553 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY B 407 11.995 14.057 -1.286 1.00 0.00 H new ATOM 1727 N ASP B 408 10.544 16.591 -1.244 1.00 0.00 N ATOM 1728 CA ASP B 408 10.431 17.993 -0.863 1.00 0.00 C ATOM 1729 C ASP B 408 9.468 18.149 0.307 1.00 0.00 C ATOM 1730 O ASP B 408 9.443 19.184 0.975 1.00 0.00 O ATOM 1731 CB ASP B 408 9.949 18.826 -2.052 1.00 0.00 C ATOM 1732 CG ASP B 408 10.175 20.311 -1.849 1.00 0.00 C ATOM 1733 OD1 ASP B 408 11.273 20.685 -1.387 1.00 0.00 O ATOM 1734 OD2 ASP B 408 9.256 21.099 -2.155 1.00 0.00 O ATOM 0 H ASP B 408 10.309 16.398 -2.218 1.00 0.00 H new ATOM 0 HA ASP B 408 11.415 18.349 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP B 408 10.470 18.502 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP B 408 8.887 18.642 -2.214 1.00 0.00 H new ATOM 1739 N GLY B 409 8.671 17.114 0.543 1.00 0.00 N ATOM 1740 CA GLY B 409 7.708 17.141 1.621 1.00 0.00 C ATOM 1741 C GLY B 409 6.338 17.560 1.139 1.00 0.00 C ATOM 1742 O GLY B 409 5.609 18.259 1.842 1.00 0.00 O ATOM 0 H GLY B 409 8.677 16.250 0.000 1.00 0.00 H new ATOM 0 HA2 GLY B 409 7.646 16.153 2.078 1.00 0.00 H new ATOM 0 HA3 GLY B 409 8.048 17.830 2.395 1.00 0.00 H new ATOM 1746 N THR B 410 5.993 17.140 -0.074 1.00 0.00 N ATOM 1747 CA THR B 410 4.704 17.486 -0.659 1.00 0.00 C ATOM 1748 C THR B 410 3.963 16.251 -1.165 1.00 0.00 C ATOM 1749 O THR B 410 4.484 15.485 -1.975 1.00 0.00 O ATOM 1750 CB THR B 410 4.869 18.493 -1.816 1.00 0.00 C ATOM 1751 OG1 THR B 410 5.226 19.792 -1.327 1.00 0.00 O ATOM 1752 CG2 THR B 410 3.586 18.616 -2.623 1.00 0.00 C ATOM 0 H THR B 410 6.586 16.561 -0.669 1.00 0.00 H new ATOM 0 HA THR B 410 4.114 17.945 0.134 1.00 0.00 H new ATOM 0 HB THR B 410 5.667 18.112 -2.454 1.00 0.00 H new ATOM 0 HG1 THR B 410 5.326 20.410 -2.081 1.00 0.00 H new ATOM 0 HG21 THR B 410 3.732 19.332 -3.431 1.00 0.00 H new ATOM 0 HG22 THR B 410 3.325 17.644 -3.042 1.00 0.00 H new ATOM 0 HG23 THR B 410 2.780 18.960 -1.975 1.00 0.00 H new ATOM 1760 N VAL B 411 2.738 16.075 -0.682 1.00 0.00 N ATOM 1761 CA VAL B 411 1.902 14.947 -1.076 1.00 0.00 C ATOM 1762 C VAL B 411 1.075 15.299 -2.308 1.00 0.00 C ATOM 1763 O VAL B 411 -0.046 15.794 -2.189 1.00 0.00 O ATOM 1764 CB VAL B 411 0.949 14.539 0.065 1.00 0.00 C ATOM 1765 CG1 VAL B 411 0.131 13.319 -0.324 1.00 0.00 C ATOM 1766 CG2 VAL B 411 1.729 14.281 1.344 1.00 0.00 C ATOM 0 H VAL B 411 2.299 16.705 -0.011 1.00 0.00 H new ATOM 0 HA VAL B 411 2.565 14.112 -1.304 1.00 0.00 H new ATOM 0 HB VAL B 411 0.259 15.363 0.245 1.00 0.00 H new ATOM 0 HG11 VAL B 411 -0.534 13.050 0.497 1.00 0.00 H new ATOM 0 HG12 VAL B 411 -0.461 13.545 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL B 411 0.800 12.485 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL B 411 1.040 13.994 2.139 1.00 0.00 H new ATOM 0 HG22 VAL B 411 2.446 13.477 1.177 1.00 0.00 H new ATOM 0 HG23 VAL B 411 2.261 15.187 1.635 1.00 0.00 H new ATOM 1776 N LEU B 412 1.628 15.046 -3.492 1.00 0.00 N ATOM 1777 CA LEU B 412 0.921 15.347 -4.731 1.00 0.00 C ATOM 1778 C LEU B 412 -0.516 14.859 -4.648 1.00 0.00 C ATOM 1779 O LEU B 412 -1.404 15.391 -5.315 1.00 0.00 O ATOM 1780 CB LEU B 412 1.611 14.695 -5.933 1.00 0.00 C ATOM 1781 CG LEU B 412 2.962 15.301 -6.328 1.00 0.00 C ATOM 1782 CD1 LEU B 412 3.104 16.720 -5.793 1.00 0.00 C ATOM 1783 CD2 LEU B 412 4.102 14.429 -5.824 1.00 0.00 C ATOM 0 H LEU B 412 2.554 14.637 -3.618 1.00 0.00 H new ATOM 0 HA LEU B 412 0.932 16.428 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU B 412 1.757 13.637 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU B 412 0.941 14.755 -6.791 1.00 0.00 H new ATOM 0 HG LEU B 412 3.007 15.344 -7.416 1.00 0.00 H new ATOM 0 HD11 LEU B 412 4.072 17.125 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU B 412 2.309 17.344 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU B 412 3.032 16.708 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU B 412 5.055 14.873 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU B 412 4.051 14.355 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU B 412 4.019 13.433 -6.260 1.00 0.00 H new ATOM 1795 N GLY B 413 -0.737 13.840 -3.825 1.00 0.00 N ATOM 1796 CA GLY B 413 -2.068 13.296 -3.672 1.00 0.00 C ATOM 1797 C GLY B 413 -2.113 12.103 -2.736 1.00 0.00 C ATOM 1798 O GLY B 413 -1.115 11.755 -2.107 1.00 0.00 O ATOM 0 H GLY B 413 -0.018 13.384 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY B 413 -2.732 14.074 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY B 413 -2.449 12.999 -4.649 1.00 0.00 H new ATOM 1802 N THR B 414 -3.280 11.479 -2.653 1.00 0.00 N ATOM 1803 CA THR B 414 -3.482 10.316 -1.799 1.00 0.00 C ATOM 1804 C THR B 414 -4.716 9.550 -2.257 1.00 0.00 C ATOM 1805 O THR B 414 -5.454 10.028 -3.117 1.00 0.00 O ATOM 1806 CB THR B 414 -3.651 10.731 -0.325 1.00 0.00 C ATOM 1807 OG1 THR B 414 -4.006 9.613 0.499 1.00 0.00 O ATOM 1808 CG2 THR B 414 -4.726 11.798 -0.179 1.00 0.00 C ATOM 0 H THR B 414 -4.110 11.763 -3.173 1.00 0.00 H new ATOM 0 HA THR B 414 -2.601 9.679 -1.878 1.00 0.00 H new ATOM 0 HB THR B 414 -2.689 11.127 0.001 1.00 0.00 H new ATOM 0 HG1 THR B 414 -3.362 8.887 0.361 1.00 0.00 H new ATOM 0 HG21 THR B 414 -4.825 12.073 0.871 1.00 0.00 H new ATOM 0 HG22 THR B 414 -4.447 12.677 -0.760 1.00 0.00 H new ATOM 0 HG23 THR B 414 -5.677 11.409 -0.544 1.00 0.00 H new ATOM 1816 N GLY B 415 -4.952 8.364 -1.702 1.00 0.00 N ATOM 1817 CA GLY B 415 -6.120 7.616 -2.134 1.00 0.00 C ATOM 1818 C GLY B 415 -6.402 6.360 -1.336 1.00 0.00 C ATOM 1819 O GLY B 415 -5.590 5.925 -0.526 1.00 0.00 O ATOM 0 H GLY B 415 -4.378 7.919 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY B 415 -6.992 8.268 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY B 415 -5.992 7.343 -3.181 1.00 0.00 H new ATOM 1823 N VAL B 416 -7.571 5.776 -1.588 1.00 0.00 N ATOM 1824 CA VAL B 416 -7.999 4.555 -0.922 1.00 0.00 C ATOM 1825 C VAL B 416 -8.626 3.598 -1.929 1.00 0.00 C ATOM 1826 O VAL B 416 -9.175 4.029 -2.942 1.00 0.00 O ATOM 1827 CB VAL B 416 -9.019 4.852 0.193 1.00 0.00 C ATOM 1828 CG1 VAL B 416 -10.387 5.157 -0.401 1.00 0.00 C ATOM 1829 CG2 VAL B 416 -9.098 3.688 1.173 1.00 0.00 C ATOM 0 H VAL B 416 -8.247 6.139 -2.261 1.00 0.00 H new ATOM 0 HA VAL B 416 -7.116 4.097 -0.475 1.00 0.00 H new ATOM 0 HB VAL B 416 -8.684 5.732 0.741 1.00 0.00 H new ATOM 0 HG11 VAL B 416 -11.094 5.364 0.402 1.00 0.00 H new ATOM 0 HG12 VAL B 416 -10.314 6.027 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL B 416 -10.733 4.299 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL B 416 -9.824 3.918 1.953 1.00 0.00 H new ATOM 0 HG22 VAL B 416 -9.407 2.787 0.643 1.00 0.00 H new ATOM 0 HG23 VAL B 416 -8.119 3.526 1.625 1.00 0.00 H new ATOM 1839 N GLY B 417 -8.544 2.302 -1.655 1.00 0.00 N ATOM 1840 CA GLY B 417 -9.111 1.326 -2.567 1.00 0.00 C ATOM 1841 C GLY B 417 -9.507 0.035 -1.878 1.00 0.00 C ATOM 1842 O GLY B 417 -8.649 -0.723 -1.427 1.00 0.00 O ATOM 0 H GLY B 417 -8.099 1.911 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -9.987 1.756 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -8.387 1.106 -3.352 1.00 0.00 H new ATOM 1846 N ARG B 418 -10.811 -0.217 -1.804 1.00 0.00 N ATOM 1847 CA ARG B 418 -11.325 -1.428 -1.172 1.00 0.00 C ATOM 1848 C ARG B 418 -10.487 -2.643 -1.560 1.00 0.00 C ATOM 1849 O ARG B 418 -9.941 -3.331 -0.699 1.00 0.00 O ATOM 1850 CB ARG B 418 -12.784 -1.655 -1.571 1.00 0.00 C ATOM 1851 CG ARG B 418 -13.101 -1.215 -2.990 1.00 0.00 C ATOM 1852 CD ARG B 418 -13.543 -2.383 -3.853 1.00 0.00 C ATOM 1853 NE ARG B 418 -14.885 -2.837 -3.505 1.00 0.00 N ATOM 1854 CZ ARG B 418 -15.446 -3.932 -4.007 1.00 0.00 C ATOM 1855 NH1 ARG B 418 -14.783 -4.682 -4.875 1.00 0.00 N ATOM 1856 NH2 ARG B 418 -16.673 -4.275 -3.640 1.00 0.00 N ATOM 0 H ARG B 418 -11.532 0.402 -2.175 1.00 0.00 H new ATOM 0 HA ARG B 418 -11.265 -1.297 -0.092 1.00 0.00 H new ATOM 0 HB2 ARG B 418 -13.020 -2.714 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG B 418 -13.430 -1.114 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG B 418 -13.886 -0.459 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG B 418 -12.221 -0.748 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG B 418 -13.520 -2.089 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG B 418 -12.839 -3.207 -3.737 1.00 0.00 H new ATOM 0 HE ARG B 418 -15.423 -2.283 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG B 418 -13.839 -4.419 -5.160 1.00 0.00 H new ATOM 0 HH12 ARG B 418 -15.216 -5.522 -5.259 1.00 0.00 H new ATOM 0 HH21 ARG B 418 -17.186 -3.698 -2.973 1.00 0.00 H new ATOM 0 HH22 ARG B 418 -17.104 -5.115 -4.025 1.00 0.00 H new ATOM 1870 N ASN B 419 -10.374 -2.888 -2.863 1.00 0.00 N ATOM 1871 CA ASN B 419 -9.584 -4.010 -3.362 1.00 0.00 C ATOM 1872 C ASN B 419 -8.107 -3.628 -3.429 1.00 0.00 C ATOM 1873 O ASN B 419 -7.248 -4.484 -3.630 1.00 0.00 O ATOM 1874 CB ASN B 419 -10.097 -4.464 -4.737 1.00 0.00 C ATOM 1875 CG ASN B 419 -9.246 -3.975 -5.897 1.00 0.00 C ATOM 1876 OD1 ASN B 419 -8.050 -4.261 -5.968 1.00 0.00 O ATOM 1877 ND2 ASN B 419 -9.859 -3.236 -6.813 1.00 0.00 N ATOM 0 H ASN B 419 -10.818 -2.327 -3.590 1.00 0.00 H new ATOM 0 HA ASN B 419 -9.691 -4.846 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN B 419 -10.135 -5.553 -4.759 1.00 0.00 H new ATOM 0 HB3 ASN B 419 -11.118 -4.106 -4.871 1.00 0.00 H new ATOM 0 HD21 ASN B 419 -9.338 -2.881 -7.615 1.00 0.00 H new ATOM 0 HD22 ASN B 419 -10.852 -3.023 -6.715 1.00 0.00 H new ATOM 1884 N ILE B 420 -7.844 -2.329 -3.263 1.00 0.00 N ATOM 1885 CA ILE B 420 -6.498 -1.760 -3.293 1.00 0.00 C ATOM 1886 C ILE B 420 -6.158 -1.181 -4.655 1.00 0.00 C ATOM 1887 O ILE B 420 -5.609 -0.084 -4.740 1.00 0.00 O ATOM 1888 CB ILE B 420 -5.389 -2.742 -2.868 1.00 0.00 C ATOM 1889 CG1 ILE B 420 -4.879 -3.568 -4.057 1.00 0.00 C ATOM 1890 CG2 ILE B 420 -5.862 -3.640 -1.733 1.00 0.00 C ATOM 1891 CD1 ILE B 420 -3.778 -2.879 -4.840 1.00 0.00 C ATOM 0 H ILE B 420 -8.573 -1.634 -3.102 1.00 0.00 H new ATOM 0 HA ILE B 420 -6.526 -0.962 -2.551 1.00 0.00 H new ATOM 0 HB ILE B 420 -4.549 -2.152 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE B 420 -4.510 -4.527 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE B 420 -5.712 -3.781 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE B 420 -5.061 -4.324 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE B 420 -6.135 -3.027 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE B 420 -6.730 -4.213 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE B 420 -3.464 -3.518 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE B 420 -4.149 -1.933 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE B 420 -2.928 -2.691 -4.184 1.00 0.00 H new ATOM 1903 N LYS B 421 -6.478 -1.898 -5.727 1.00 0.00 N ATOM 1904 CA LYS B 421 -6.182 -1.381 -7.049 1.00 0.00 C ATOM 1905 C LYS B 421 -6.662 0.046 -7.126 1.00 0.00 C ATOM 1906 O LYS B 421 -5.877 0.970 -7.334 1.00 0.00 O ATOM 1907 CB LYS B 421 -6.834 -2.214 -8.142 1.00 0.00 C ATOM 1908 CG LYS B 421 -5.841 -2.664 -9.188 1.00 0.00 C ATOM 1909 CD LYS B 421 -4.770 -3.543 -8.571 1.00 0.00 C ATOM 1910 CE LYS B 421 -4.608 -4.838 -9.340 1.00 0.00 C ATOM 1911 NZ LYS B 421 -3.789 -5.830 -8.592 1.00 0.00 N ATOM 0 H LYS B 421 -6.929 -2.812 -5.706 1.00 0.00 H new ATOM 0 HA LYS B 421 -5.105 -1.429 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS B 421 -7.309 -3.087 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS B 421 -7.622 -1.631 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS B 421 -6.359 -3.212 -9.975 1.00 0.00 H new ATOM 0 HG3 LYS B 421 -5.379 -1.794 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS B 421 -3.821 -3.006 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS B 421 -5.029 -3.763 -7.535 1.00 0.00 H new ATOM 0 HE2 LYS B 421 -5.590 -5.262 -9.548 1.00 0.00 H new ATOM 0 HE3 LYS B 421 -4.139 -4.632 -10.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 421 -3.702 -6.702 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 421 -2.843 -5.436 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 421 -4.249 -6.046 -7.685 1.00 0.00 H new ATOM 1925 N ILE B 422 -7.958 0.223 -6.911 1.00 0.00 N ATOM 1926 CA ILE B 422 -8.532 1.555 -6.912 1.00 0.00 C ATOM 1927 C ILE B 422 -7.593 2.484 -6.174 1.00 0.00 C ATOM 1928 O ILE B 422 -7.493 3.661 -6.490 1.00 0.00 O ATOM 1929 CB ILE B 422 -9.916 1.630 -6.227 1.00 0.00 C ATOM 1930 CG1 ILE B 422 -10.503 0.237 -6.004 1.00 0.00 C ATOM 1931 CG2 ILE B 422 -10.862 2.488 -7.050 1.00 0.00 C ATOM 1932 CD1 ILE B 422 -9.868 -0.500 -4.844 1.00 0.00 C ATOM 0 H ILE B 422 -8.622 -0.531 -6.736 1.00 0.00 H new ATOM 0 HA ILE B 422 -8.668 1.841 -7.955 1.00 0.00 H new ATOM 0 HB ILE B 422 -9.786 2.091 -5.248 1.00 0.00 H new ATOM 0 HG12 ILE B 422 -11.575 0.326 -5.826 1.00 0.00 H new ATOM 0 HG13 ILE B 422 -10.378 -0.352 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE B 422 -11.833 2.533 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE B 422 -10.454 3.495 -7.141 1.00 0.00 H new ATOM 0 HG23 ILE B 422 -10.978 2.052 -8.042 1.00 0.00 H new ATOM 0 HD11 ILE B 422 -10.330 -1.482 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE B 422 -8.800 -0.619 -5.029 1.00 0.00 H new ATOM 0 HD13 ILE B 422 -10.016 0.070 -3.926 1.00 0.00 H new ATOM 1944 N ALA B 423 -6.892 1.921 -5.187 1.00 0.00 N ATOM 1945 CA ALA B 423 -5.943 2.682 -4.397 1.00 0.00 C ATOM 1946 C ALA B 423 -4.704 3.018 -5.220 1.00 0.00 C ATOM 1947 O ALA B 423 -4.237 4.156 -5.210 1.00 0.00 O ATOM 1948 CB ALA B 423 -5.564 1.925 -3.136 1.00 0.00 C ATOM 0 H ALA B 423 -6.969 0.939 -4.922 1.00 0.00 H new ATOM 0 HA ALA B 423 -6.418 3.617 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -4.851 2.514 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -6.457 1.746 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -5.111 0.971 -3.406 1.00 0.00 H new ATOM 1954 N GLY B 424 -4.179 2.031 -5.947 1.00 0.00 N ATOM 1955 CA GLY B 424 -3.011 2.281 -6.769 1.00 0.00 C ATOM 1956 C GLY B 424 -3.284 3.334 -7.826 1.00 0.00 C ATOM 1957 O GLY B 424 -2.638 4.389 -7.856 1.00 0.00 O ATOM 0 H GLY B 424 -4.538 1.077 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -2.184 2.605 -6.137 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -2.700 1.354 -7.251 1.00 0.00 H new ATOM 1961 N ILE B 425 -4.255 3.055 -8.689 1.00 0.00 N ATOM 1962 CA ILE B 425 -4.621 3.988 -9.745 1.00 0.00 C ATOM 1963 C ILE B 425 -5.027 5.335 -9.160 1.00 0.00 C ATOM 1964 O ILE B 425 -4.521 6.380 -9.569 1.00 0.00 O ATOM 1965 CB ILE B 425 -5.777 3.452 -10.604 1.00 0.00 C ATOM 1966 CG1 ILE B 425 -5.701 1.926 -10.717 1.00 0.00 C ATOM 1967 CG2 ILE B 425 -5.745 4.100 -11.978 1.00 0.00 C ATOM 1968 CD1 ILE B 425 -4.290 1.398 -10.861 1.00 0.00 C ATOM 0 H ILE B 425 -4.800 2.193 -8.677 1.00 0.00 H new ATOM 0 HA ILE B 425 -3.741 4.109 -10.376 1.00 0.00 H new ATOM 0 HB ILE B 425 -6.722 3.705 -10.123 1.00 0.00 H new ATOM 0 HG12 ILE B 425 -6.158 1.482 -9.833 1.00 0.00 H new ATOM 0 HG13 ILE B 425 -6.290 1.604 -11.576 1.00 0.00 H new ATOM 0 HG21 ILE B 425 -6.567 3.715 -12.581 1.00 0.00 H new ATOM 0 HG22 ILE B 425 -5.846 5.180 -11.873 1.00 0.00 H new ATOM 0 HG23 ILE B 425 -4.798 3.870 -12.467 1.00 0.00 H new ATOM 0 HD11 ILE B 425 -4.314 0.311 -10.936 1.00 0.00 H new ATOM 0 HD12 ILE B 425 -3.836 1.813 -11.761 1.00 0.00 H new ATOM 0 HD13 ILE B 425 -3.702 1.689 -9.991 1.00 0.00 H new ATOM 1980 N ARG B 426 -5.941 5.302 -8.195 1.00 0.00 N ATOM 1981 CA ARG B 426 -6.410 6.521 -7.548 1.00 0.00 C ATOM 1982 C ARG B 426 -5.229 7.409 -7.178 1.00 0.00 C ATOM 1983 O ARG B 426 -5.201 8.594 -7.509 1.00 0.00 O ATOM 1984 CB ARG B 426 -7.225 6.174 -6.298 1.00 0.00 C ATOM 1985 CG ARG B 426 -7.455 7.346 -5.359 1.00 0.00 C ATOM 1986 CD ARG B 426 -8.852 7.923 -5.505 1.00 0.00 C ATOM 1987 NE ARG B 426 -9.325 7.890 -6.886 1.00 0.00 N ATOM 1988 CZ ARG B 426 -10.612 7.873 -7.220 1.00 0.00 C ATOM 1989 NH1 ARG B 426 -11.544 7.878 -6.276 1.00 0.00 N ATOM 1990 NH2 ARG B 426 -10.967 7.850 -8.497 1.00 0.00 N ATOM 0 H ARG B 426 -6.370 4.446 -7.845 1.00 0.00 H new ATOM 0 HA ARG B 426 -7.050 7.064 -8.244 1.00 0.00 H new ATOM 0 HB2 ARG B 426 -8.191 5.776 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG B 426 -6.713 5.381 -5.753 1.00 0.00 H new ATOM 0 HG2 ARG B 426 -7.302 7.022 -4.330 1.00 0.00 H new ATOM 0 HG3 ARG B 426 -6.718 8.123 -5.561 1.00 0.00 H new ATOM 0 HD2 ARG B 426 -9.542 7.363 -4.874 1.00 0.00 H new ATOM 0 HD3 ARG B 426 -8.857 8.952 -5.146 1.00 0.00 H new ATOM 0 HE ARG B 426 -8.632 7.879 -7.634 1.00 0.00 H new ATOM 0 HH11 ARG B 426 -11.274 7.895 -5.293 1.00 0.00 H new ATOM 0 HH12 ARG B 426 -12.531 7.865 -6.534 1.00 0.00 H new ATOM 0 HH21 ARG B 426 -10.253 7.845 -9.225 1.00 0.00 H new ATOM 0 HH22 ARG B 426 -11.955 7.837 -8.752 1.00 0.00 H new ATOM 2004 N ALA B 427 -4.251 6.825 -6.495 1.00 0.00 N ATOM 2005 CA ALA B 427 -3.065 7.560 -6.084 1.00 0.00 C ATOM 2006 C ALA B 427 -2.449 8.298 -7.266 1.00 0.00 C ATOM 2007 O ALA B 427 -2.235 9.509 -7.207 1.00 0.00 O ATOM 2008 CB ALA B 427 -2.040 6.631 -5.449 1.00 0.00 C ATOM 0 H ALA B 427 -4.258 5.844 -6.215 1.00 0.00 H new ATOM 0 HA ALA B 427 -3.370 8.294 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA B 427 -1.163 7.206 -5.151 1.00 0.00 H new ATOM 0 HB2 ALA B 427 -2.476 6.153 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA B 427 -1.746 5.868 -6.169 1.00 0.00 H new ATOM 2014 N ALA B 428 -2.163 7.567 -8.342 1.00 0.00 N ATOM 2015 CA ALA B 428 -1.571 8.176 -9.531 1.00 0.00 C ATOM 2016 C ALA B 428 -2.387 9.385 -9.979 1.00 0.00 C ATOM 2017 O ALA B 428 -1.916 10.531 -9.935 1.00 0.00 O ATOM 2018 CB ALA B 428 -1.455 7.166 -10.663 1.00 0.00 C ATOM 0 H ALA B 428 -2.329 6.563 -8.415 1.00 0.00 H new ATOM 0 HA ALA B 428 -0.567 8.511 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA B 428 -1.011 7.646 -11.535 1.00 0.00 H new ATOM 0 HB2 ALA B 428 -0.824 6.335 -10.346 1.00 0.00 H new ATOM 0 HB3 ALA B 428 -2.446 6.792 -10.920 1.00 0.00 H new ATOM 2024 N GLU B 429 -3.621 9.126 -10.406 1.00 0.00 N ATOM 2025 CA GLU B 429 -4.508 10.186 -10.851 1.00 0.00 C ATOM 2026 C GLU B 429 -4.611 11.274 -9.790 1.00 0.00 C ATOM 2027 O GLU B 429 -5.009 12.402 -10.077 1.00 0.00 O ATOM 2028 CB GLU B 429 -5.898 9.624 -11.156 1.00 0.00 C ATOM 2029 CG GLU B 429 -5.950 8.781 -12.420 1.00 0.00 C ATOM 2030 CD GLU B 429 -7.222 7.962 -12.523 1.00 0.00 C ATOM 2031 OE1 GLU B 429 -8.262 8.410 -11.996 1.00 0.00 O ATOM 2032 OE2 GLU B 429 -7.178 6.871 -13.131 1.00 0.00 O ATOM 0 H GLU B 429 -4.025 8.190 -10.451 1.00 0.00 H new ATOM 0 HA GLU B 429 -4.094 10.620 -11.761 1.00 0.00 H new ATOM 0 HB2 GLU B 429 -6.229 9.019 -10.312 1.00 0.00 H new ATOM 0 HB3 GLU B 429 -6.602 10.451 -11.251 1.00 0.00 H new ATOM 0 HG2 GLU B 429 -5.870 9.432 -13.290 1.00 0.00 H new ATOM 0 HG3 GLU B 429 -5.089 8.113 -12.442 1.00 0.00 H new ATOM 2039 N ASN B 430 -4.254 10.920 -8.559 1.00 0.00 N ATOM 2040 CA ASN B 430 -4.305 11.854 -7.443 1.00 0.00 C ATOM 2041 C ASN B 430 -3.115 12.814 -7.466 1.00 0.00 C ATOM 2042 O ASN B 430 -3.234 13.965 -7.045 1.00 0.00 O ATOM 2043 CB ASN B 430 -4.336 11.088 -6.118 1.00 0.00 C ATOM 2044 CG ASN B 430 -5.707 11.107 -5.476 1.00 0.00 C ATOM 2045 OD1 ASN B 430 -5.942 11.832 -4.508 1.00 0.00 O ATOM 2046 ND2 ASN B 430 -6.620 10.306 -6.011 1.00 0.00 N ATOM 0 H ASN B 430 -3.925 9.987 -8.310 1.00 0.00 H new ATOM 0 HA ASN B 430 -5.216 12.445 -7.540 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -4.032 10.056 -6.290 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -3.610 11.524 -5.432 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -7.562 10.273 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -6.380 9.723 -6.813 1.00 0.00 H new ATOM 2053 N ALA B 431 -1.967 12.340 -7.949 1.00 0.00 N ATOM 2054 CA ALA B 431 -0.773 13.174 -8.004 1.00 0.00 C ATOM 2055 C ALA B 431 -0.846 14.169 -9.149 1.00 0.00 C ATOM 2056 O ALA B 431 -0.490 15.336 -8.989 1.00 0.00 O ATOM 2057 CB ALA B 431 0.489 12.336 -8.128 1.00 0.00 C ATOM 0 H ALA B 431 -1.841 11.392 -8.304 1.00 0.00 H new ATOM 0 HA ALA B 431 -0.729 13.725 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA B 431 1.359 12.992 -8.166 1.00 0.00 H new ATOM 0 HB2 ALA B 431 0.572 11.673 -7.267 1.00 0.00 H new ATOM 0 HB3 ALA B 431 0.443 11.741 -9.040 1.00 0.00 H new ATOM 2063 N LEU B 432 -1.310 13.713 -10.307 1.00 0.00 N ATOM 2064 CA LEU B 432 -1.419 14.599 -11.460 1.00 0.00 C ATOM 2065 C LEU B 432 -2.757 15.325 -11.458 1.00 0.00 C ATOM 2066 O LEU B 432 -3.158 15.915 -12.461 1.00 0.00 O ATOM 2067 CB LEU B 432 -1.206 13.849 -12.784 1.00 0.00 C ATOM 2068 CG LEU B 432 -2.105 12.634 -13.046 1.00 0.00 C ATOM 2069 CD1 LEU B 432 -1.491 11.368 -12.467 1.00 0.00 C ATOM 2070 CD2 LEU B 432 -3.505 12.860 -12.496 1.00 0.00 C ATOM 0 H LEU B 432 -1.612 12.753 -10.472 1.00 0.00 H new ATOM 0 HA LEU B 432 -0.623 15.339 -11.377 1.00 0.00 H new ATOM 0 HB2 LEU B 432 -1.346 14.557 -13.601 1.00 0.00 H new ATOM 0 HB3 LEU B 432 -0.168 13.518 -12.823 1.00 0.00 H new ATOM 0 HG LEU B 432 -2.187 12.506 -14.125 1.00 0.00 H new ATOM 0 HD11 LEU B 432 -2.148 10.521 -12.666 1.00 0.00 H new ATOM 0 HD12 LEU B 432 -0.520 11.191 -12.929 1.00 0.00 H new ATOM 0 HD13 LEU B 432 -1.365 11.484 -11.391 1.00 0.00 H new ATOM 0 HD21 LEU B 432 -4.120 11.983 -12.696 1.00 0.00 H new ATOM 0 HD22 LEU B 432 -3.451 13.028 -11.420 1.00 0.00 H new ATOM 0 HD23 LEU B 432 -3.949 13.732 -12.977 1.00 0.00 H new ATOM 2082 N ARG B 433 -3.439 15.281 -10.319 1.00 0.00 N ATOM 2083 CA ARG B 433 -4.731 15.943 -10.181 1.00 0.00 C ATOM 2084 C ARG B 433 -4.550 17.386 -9.740 1.00 0.00 C ATOM 2085 O ARG B 433 -5.523 18.095 -9.477 1.00 0.00 O ATOM 2086 CB ARG B 433 -5.606 15.206 -9.172 1.00 0.00 C ATOM 2087 CG ARG B 433 -7.067 15.150 -9.574 1.00 0.00 C ATOM 2088 CD ARG B 433 -7.807 14.050 -8.834 1.00 0.00 C ATOM 2089 NE ARG B 433 -9.133 13.807 -9.394 1.00 0.00 N ATOM 2090 CZ ARG B 433 -9.357 13.015 -10.437 1.00 0.00 C ATOM 2091 NH1 ARG B 433 -8.347 12.405 -11.040 1.00 0.00 N ATOM 2092 NH2 ARG B 433 -10.593 12.834 -10.880 1.00 0.00 N ATOM 0 H ARG B 433 -3.120 14.796 -9.480 1.00 0.00 H new ATOM 0 HA ARG B 433 -5.221 15.929 -11.154 1.00 0.00 H new ATOM 0 HB2 ARG B 433 -5.231 14.190 -9.050 1.00 0.00 H new ATOM 0 HB3 ARG B 433 -5.522 15.696 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG B 433 -7.539 16.110 -9.367 1.00 0.00 H new ATOM 0 HG3 ARG B 433 -7.143 14.982 -10.648 1.00 0.00 H new ATOM 0 HD2 ARG B 433 -7.223 13.131 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG B 433 -7.902 14.322 -7.783 1.00 0.00 H new ATOM 0 HE ARG B 433 -9.932 14.271 -8.961 1.00 0.00 H new ATOM 0 HH11 ARG B 433 -7.394 12.543 -10.704 1.00 0.00 H new ATOM 0 HH12 ARG B 433 -8.523 11.798 -11.840 1.00 0.00 H new ATOM 0 HH21 ARG B 433 -11.373 13.303 -10.420 1.00 0.00 H new ATOM 0 HH22 ARG B 433 -10.764 12.226 -11.681 1.00 0.00 H new ATOM 2106 N ASP B 434 -3.299 17.814 -9.654 1.00 0.00 N ATOM 2107 CA ASP B 434 -2.987 19.171 -9.234 1.00 0.00 C ATOM 2108 C ASP B 434 -2.308 19.950 -10.356 1.00 0.00 C ATOM 2109 O ASP B 434 -1.108 20.222 -10.299 1.00 0.00 O ATOM 2110 CB ASP B 434 -2.093 19.138 -7.996 1.00 0.00 C ATOM 2111 CG ASP B 434 -2.595 18.165 -6.948 1.00 0.00 C ATOM 2112 OD1 ASP B 434 -3.828 18.059 -6.779 1.00 0.00 O ATOM 2113 OD2 ASP B 434 -1.756 17.507 -6.298 1.00 0.00 O ATOM 0 H ASP B 434 -2.484 17.240 -9.870 1.00 0.00 H new ATOM 0 HA ASP B 434 -3.920 19.679 -8.989 1.00 0.00 H new ATOM 0 HB2 ASP B 434 -1.080 18.861 -8.289 1.00 0.00 H new ATOM 0 HB3 ASP B 434 -2.038 20.137 -7.564 1.00 0.00 H new ATOM 2118 N LYS B 435 -3.084 20.308 -11.374 1.00 0.00 N ATOM 2119 CA LYS B 435 -2.560 21.059 -12.510 1.00 0.00 C ATOM 2120 C LYS B 435 -1.606 22.150 -12.040 1.00 0.00 C ATOM 2121 O LYS B 435 -0.511 22.309 -12.579 1.00 0.00 O ATOM 2122 CB LYS B 435 -3.708 21.683 -13.309 1.00 0.00 C ATOM 2123 CG LYS B 435 -4.211 22.990 -12.721 1.00 0.00 C ATOM 2124 CD LYS B 435 -5.247 23.651 -13.615 1.00 0.00 C ATOM 2125 CE LYS B 435 -6.558 22.882 -13.612 1.00 0.00 C ATOM 2126 NZ LYS B 435 -7.664 23.661 -14.236 1.00 0.00 N ATOM 0 H LYS B 435 -4.079 20.090 -11.436 1.00 0.00 H new ATOM 0 HA LYS B 435 -2.013 20.368 -13.151 1.00 0.00 H new ATOM 0 HB2 LYS B 435 -3.376 21.858 -14.332 1.00 0.00 H new ATOM 0 HB3 LYS B 435 -4.534 20.974 -13.359 1.00 0.00 H new ATOM 0 HG2 LYS B 435 -4.645 22.803 -11.739 1.00 0.00 H new ATOM 0 HG3 LYS B 435 -3.371 23.669 -12.574 1.00 0.00 H new ATOM 0 HD2 LYS B 435 -5.422 24.672 -13.277 1.00 0.00 H new ATOM 0 HD3 LYS B 435 -4.863 23.714 -14.633 1.00 0.00 H new ATOM 0 HE2 LYS B 435 -6.428 21.943 -14.149 1.00 0.00 H new ATOM 0 HE3 LYS B 435 -6.827 22.628 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS B 435 -8.540 23.100 -14.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 435 -7.806 24.546 -13.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 435 -7.420 23.881 -15.223 1.00 0.00 H new ATOM 2140 N LYS B 436 -2.032 22.903 -11.031 1.00 0.00 N ATOM 2141 CA LYS B 436 -1.224 23.985 -10.485 1.00 0.00 C ATOM 2142 C LYS B 436 0.122 23.468 -9.983 1.00 0.00 C ATOM 2143 O LYS B 436 1.168 24.036 -10.296 1.00 0.00 O ATOM 2144 CB LYS B 436 -1.976 24.683 -9.352 1.00 0.00 C ATOM 2145 CG LYS B 436 -3.330 25.236 -9.776 1.00 0.00 C ATOM 2146 CD LYS B 436 -3.217 26.669 -10.269 1.00 0.00 C ATOM 2147 CE LYS B 436 -3.810 27.650 -9.272 1.00 0.00 C ATOM 2148 NZ LYS B 436 -5.229 27.326 -8.955 1.00 0.00 N ATOM 0 H LYS B 436 -2.936 22.782 -10.574 1.00 0.00 H new ATOM 0 HA LYS B 436 -1.034 24.703 -11.283 1.00 0.00 H new ATOM 0 HB2 LYS B 436 -2.120 23.978 -8.533 1.00 0.00 H new ATOM 0 HB3 LYS B 436 -1.363 25.498 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS B 436 -3.749 24.611 -10.565 1.00 0.00 H new ATOM 0 HG3 LYS B 436 -4.021 25.193 -8.934 1.00 0.00 H new ATOM 0 HD2 LYS B 436 -2.169 26.914 -10.442 1.00 0.00 H new ATOM 0 HD3 LYS B 436 -3.729 26.767 -11.226 1.00 0.00 H new ATOM 0 HE2 LYS B 436 -3.221 27.637 -8.355 1.00 0.00 H new ATOM 0 HE3 LYS B 436 -3.749 28.660 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 436 -5.757 28.206 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 436 -5.654 26.812 -9.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 436 -5.267 26.733 -8.101 1.00 0.00 H new ATOM 2162 N MET B 437 0.092 22.384 -9.214 1.00 0.00 N ATOM 2163 CA MET B 437 1.316 21.795 -8.686 1.00 0.00 C ATOM 2164 C MET B 437 2.160 21.247 -9.827 1.00 0.00 C ATOM 2165 O MET B 437 3.326 21.609 -9.984 1.00 0.00 O ATOM 2166 CB MET B 437 0.996 20.682 -7.687 1.00 0.00 C ATOM 2167 CG MET B 437 2.199 19.829 -7.318 1.00 0.00 C ATOM 2168 SD MET B 437 2.498 18.493 -8.494 1.00 0.00 S ATOM 2169 CE MET B 437 1.156 17.374 -8.095 1.00 0.00 C ATOM 0 H MET B 437 -0.763 21.898 -8.944 1.00 0.00 H new ATOM 0 HA MET B 437 1.877 22.571 -8.165 1.00 0.00 H new ATOM 0 HB2 MET B 437 0.585 21.126 -6.781 1.00 0.00 H new ATOM 0 HB3 MET B 437 0.222 20.040 -8.107 1.00 0.00 H new ATOM 0 HG2 MET B 437 3.084 20.463 -7.262 1.00 0.00 H new ATOM 0 HG3 MET B 437 2.047 19.405 -6.325 1.00 0.00 H new ATOM 0 HE1 MET B 437 1.503 16.344 -8.180 1.00 0.00 H new ATOM 0 HE2 MET B 437 0.818 17.560 -7.075 1.00 0.00 H new ATOM 0 HE3 MET B 437 0.329 17.536 -8.786 1.00 0.00 H new ATOM 2179 N LEU B 438 1.552 20.384 -10.632 1.00 0.00 N ATOM 2180 CA LEU B 438 2.236 19.797 -11.775 1.00 0.00 C ATOM 2181 C LEU B 438 2.866 20.888 -12.628 1.00 0.00 C ATOM 2182 O LEU B 438 4.089 21.004 -12.709 1.00 0.00 O ATOM 2183 CB LEU B 438 1.254 18.989 -12.624 1.00 0.00 C ATOM 2184 CG LEU B 438 0.611 17.792 -11.923 1.00 0.00 C ATOM 2185 CD1 LEU B 438 -0.380 17.115 -12.853 1.00 0.00 C ATOM 2186 CD2 LEU B 438 1.676 16.808 -11.459 1.00 0.00 C ATOM 0 H LEU B 438 0.587 20.076 -10.513 1.00 0.00 H new ATOM 0 HA LEU B 438 3.018 19.134 -11.405 1.00 0.00 H new ATOM 0 HB2 LEU B 438 0.463 19.656 -12.967 1.00 0.00 H new ATOM 0 HB3 LEU B 438 1.776 18.631 -13.511 1.00 0.00 H new ATOM 0 HG LEU B 438 0.074 18.147 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU B 438 -0.833 16.264 -12.345 1.00 0.00 H new ATOM 0 HD12 LEU B 438 -1.158 17.825 -13.135 1.00 0.00 H new ATOM 0 HD13 LEU B 438 0.138 16.770 -13.748 1.00 0.00 H new ATOM 0 HD21 LEU B 438 1.199 15.963 -10.962 1.00 0.00 H new ATOM 0 HD22 LEU B 438 2.241 16.451 -12.320 1.00 0.00 H new ATOM 0 HD23 LEU B 438 2.351 17.304 -10.762 1.00 0.00 H new ATOM 2198 N ASP B 439 2.014 21.685 -13.266 1.00 0.00 N ATOM 2199 CA ASP B 439 2.472 22.772 -14.122 1.00 0.00 C ATOM 2200 C ASP B 439 3.601 23.548 -13.456 1.00 0.00 C ATOM 2201 O ASP B 439 4.537 23.996 -14.122 1.00 0.00 O ATOM 2202 CB ASP B 439 1.313 23.718 -14.443 1.00 0.00 C ATOM 2203 CG ASP B 439 1.682 24.751 -15.490 1.00 0.00 C ATOM 2204 OD1 ASP B 439 1.520 24.461 -16.695 1.00 0.00 O ATOM 2205 OD2 ASP B 439 2.135 25.850 -15.106 1.00 0.00 O ATOM 0 H ASP B 439 1.000 21.597 -13.205 1.00 0.00 H new ATOM 0 HA ASP B 439 2.848 22.338 -15.048 1.00 0.00 H new ATOM 0 HB2 ASP B 439 0.460 23.137 -14.795 1.00 0.00 H new ATOM 0 HB3 ASP B 439 0.999 24.225 -13.531 1.00 0.00 H new ATOM 2210 N PHE B 440 3.514 23.698 -12.139 1.00 0.00 N ATOM 2211 CA PHE B 440 4.539 24.416 -11.395 1.00 0.00 C ATOM 2212 C PHE B 440 5.880 23.712 -11.561 1.00 0.00 C ATOM 2213 O PHE B 440 6.917 24.349 -11.755 1.00 0.00 O ATOM 2214 CB PHE B 440 4.138 24.528 -9.913 1.00 0.00 C ATOM 2215 CG PHE B 440 5.227 24.187 -8.929 1.00 0.00 C ATOM 2216 CD1 PHE B 440 6.486 24.757 -9.037 1.00 0.00 C ATOM 2217 CD2 PHE B 440 4.984 23.300 -7.893 1.00 0.00 C ATOM 2218 CE1 PHE B 440 7.482 24.447 -8.131 1.00 0.00 C ATOM 2219 CE2 PHE B 440 5.975 22.987 -6.984 1.00 0.00 C ATOM 2220 CZ PHE B 440 7.225 23.561 -7.102 1.00 0.00 C ATOM 0 H PHE B 440 2.750 23.335 -11.569 1.00 0.00 H new ATOM 0 HA PHE B 440 4.636 25.428 -11.788 1.00 0.00 H new ATOM 0 HB2 PHE B 440 3.801 25.546 -9.720 1.00 0.00 H new ATOM 0 HB3 PHE B 440 3.287 23.871 -9.732 1.00 0.00 H new ATOM 0 HD1 PHE B 440 6.691 25.451 -9.839 1.00 0.00 H new ATOM 0 HD2 PHE B 440 4.008 22.848 -7.795 1.00 0.00 H new ATOM 0 HE1 PHE B 440 8.459 24.896 -8.227 1.00 0.00 H new ATOM 0 HE2 PHE B 440 5.772 22.294 -6.181 1.00 0.00 H new ATOM 0 HZ PHE B 440 8.001 23.318 -6.391 1.00 0.00 H new ATOM 2230 N TYR B 441 5.845 22.388 -11.497 1.00 0.00 N ATOM 2231 CA TYR B 441 7.049 21.592 -11.649 1.00 0.00 C ATOM 2232 C TYR B 441 7.471 21.536 -13.109 1.00 0.00 C ATOM 2233 O TYR B 441 8.660 21.515 -13.414 1.00 0.00 O ATOM 2234 CB TYR B 441 6.827 20.188 -11.094 1.00 0.00 C ATOM 2235 CG TYR B 441 6.692 20.170 -9.592 1.00 0.00 C ATOM 2236 CD1 TYR B 441 7.704 20.675 -8.787 1.00 0.00 C ATOM 2237 CD2 TYR B 441 5.554 19.665 -8.977 1.00 0.00 C ATOM 2238 CE1 TYR B 441 7.592 20.676 -7.414 1.00 0.00 C ATOM 2239 CE2 TYR B 441 5.431 19.662 -7.601 1.00 0.00 C ATOM 2240 CZ TYR B 441 6.453 20.168 -6.823 1.00 0.00 C ATOM 2241 OH TYR B 441 6.337 20.168 -5.452 1.00 0.00 O ATOM 0 H TYR B 441 4.995 21.846 -11.341 1.00 0.00 H new ATOM 0 HA TYR B 441 7.853 22.063 -11.083 1.00 0.00 H new ATOM 0 HB2 TYR B 441 5.928 19.763 -11.541 1.00 0.00 H new ATOM 0 HB3 TYR B 441 7.661 19.550 -11.387 1.00 0.00 H new ATOM 0 HD1 TYR B 441 8.596 21.075 -9.246 1.00 0.00 H new ATOM 0 HD2 TYR B 441 4.753 19.269 -9.583 1.00 0.00 H new ATOM 0 HE1 TYR B 441 8.390 21.072 -6.804 1.00 0.00 H new ATOM 0 HE2 TYR B 441 4.540 19.266 -7.136 1.00 0.00 H new ATOM 0 HH TYR B 441 5.475 19.777 -5.197 1.00 0.00 H new ATOM 2251 N ALA B 442 6.497 21.539 -14.013 1.00 0.00 N ATOM 2252 CA ALA B 442 6.800 21.518 -15.436 1.00 0.00 C ATOM 2253 C ALA B 442 7.788 22.629 -15.753 1.00 0.00 C ATOM 2254 O ALA B 442 8.788 22.417 -16.439 1.00 0.00 O ATOM 2255 CB ALA B 442 5.538 21.678 -16.271 1.00 0.00 C ATOM 0 H ALA B 442 5.502 21.556 -13.788 1.00 0.00 H new ATOM 0 HA ALA B 442 7.240 20.553 -15.687 1.00 0.00 H new ATOM 0 HB1 ALA B 442 5.797 21.658 -17.330 1.00 0.00 H new ATOM 0 HB2 ALA B 442 4.850 20.862 -16.051 1.00 0.00 H new ATOM 0 HB3 ALA B 442 5.062 22.629 -16.032 1.00 0.00 H new ATOM 2261 N LYS B 443 7.506 23.814 -15.218 1.00 0.00 N ATOM 2262 CA LYS B 443 8.374 24.966 -15.410 1.00 0.00 C ATOM 2263 C LYS B 443 9.702 24.725 -14.703 1.00 0.00 C ATOM 2264 O LYS B 443 10.772 24.962 -15.264 1.00 0.00 O ATOM 2265 CB LYS B 443 7.708 26.233 -14.868 1.00 0.00 C ATOM 2266 CG LYS B 443 8.693 27.331 -14.497 1.00 0.00 C ATOM 2267 CD LYS B 443 7.990 28.661 -14.285 1.00 0.00 C ATOM 2268 CE LYS B 443 8.397 29.678 -15.338 1.00 0.00 C ATOM 2269 NZ LYS B 443 7.933 31.051 -14.994 1.00 0.00 N ATOM 0 H LYS B 443 6.681 23.999 -14.648 1.00 0.00 H new ATOM 0 HA LYS B 443 8.554 25.103 -16.476 1.00 0.00 H new ATOM 0 HB2 LYS B 443 7.015 26.617 -15.616 1.00 0.00 H new ATOM 0 HB3 LYS B 443 7.117 25.975 -13.989 1.00 0.00 H new ATOM 0 HG2 LYS B 443 9.226 27.051 -13.588 1.00 0.00 H new ATOM 0 HG3 LYS B 443 9.439 27.434 -15.285 1.00 0.00 H new ATOM 0 HD2 LYS B 443 6.911 28.513 -14.318 1.00 0.00 H new ATOM 0 HD3 LYS B 443 8.229 29.046 -13.294 1.00 0.00 H new ATOM 0 HE2 LYS B 443 9.482 29.677 -15.443 1.00 0.00 H new ATOM 0 HE3 LYS B 443 7.983 29.386 -16.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 443 8.231 31.715 -15.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 443 6.896 31.058 -14.919 1.00 0.00 H new ATOM 0 HZ3 LYS B 443 8.348 31.340 -14.085 1.00 0.00 H new ATOM 2283 N GLN B 444 9.619 24.239 -13.468 1.00 0.00 N ATOM 2284 CA GLN B 444 10.807 23.948 -12.680 1.00 0.00 C ATOM 2285 C GLN B 444 11.696 22.943 -13.412 1.00 0.00 C ATOM 2286 O GLN B 444 12.907 22.889 -13.196 1.00 0.00 O ATOM 2287 CB GLN B 444 10.395 23.407 -11.299 1.00 0.00 C ATOM 2288 CG GLN B 444 10.430 21.888 -11.174 1.00 0.00 C ATOM 2289 CD GLN B 444 11.563 21.419 -10.295 1.00 0.00 C ATOM 2290 OE1 GLN B 444 11.461 20.400 -9.614 1.00 0.00 O ATOM 2291 NE2 GLN B 444 12.650 22.174 -10.306 1.00 0.00 N ATOM 0 H GLN B 444 8.739 24.039 -12.993 1.00 0.00 H new ATOM 0 HA GLN B 444 11.377 24.866 -12.540 1.00 0.00 H new ATOM 0 HB2 GLN B 444 11.055 23.835 -10.544 1.00 0.00 H new ATOM 0 HB3 GLN B 444 9.386 23.753 -11.074 1.00 0.00 H new ATOM 0 HG2 GLN B 444 9.483 21.536 -10.764 1.00 0.00 H new ATOM 0 HG3 GLN B 444 10.532 21.445 -12.165 1.00 0.00 H new ATOM 0 HE21 GLN B 444 12.684 23.010 -10.889 1.00 0.00 H new ATOM 0 HE22 GLN B 444 13.453 21.920 -9.731 1.00 0.00 H new ATOM 2300 N ARG B 445 11.071 22.137 -14.267 1.00 0.00 N ATOM 2301 CA ARG B 445 11.777 21.115 -15.030 1.00 0.00 C ATOM 2302 C ARG B 445 12.294 21.666 -16.354 1.00 0.00 C ATOM 2303 O ARG B 445 13.258 21.148 -16.918 1.00 0.00 O ATOM 2304 CB ARG B 445 10.852 19.923 -15.287 1.00 0.00 C ATOM 2305 CG ARG B 445 11.298 18.644 -14.599 1.00 0.00 C ATOM 2306 CD ARG B 445 12.332 17.901 -15.428 1.00 0.00 C ATOM 2307 NE ARG B 445 11.736 16.815 -16.201 1.00 0.00 N ATOM 2308 CZ ARG B 445 12.222 16.379 -17.359 1.00 0.00 C ATOM 2309 NH1 ARG B 445 13.309 16.938 -17.876 1.00 0.00 N ATOM 2310 NH2 ARG B 445 11.624 15.386 -18.000 1.00 0.00 N ATOM 0 H ARG B 445 10.068 22.174 -14.449 1.00 0.00 H new ATOM 0 HA ARG B 445 12.636 20.790 -14.442 1.00 0.00 H new ATOM 0 HB2 ARG B 445 9.847 20.175 -14.949 1.00 0.00 H new ATOM 0 HB3 ARG B 445 10.792 19.746 -16.361 1.00 0.00 H new ATOM 0 HG2 ARG B 445 11.716 18.882 -13.621 1.00 0.00 H new ATOM 0 HG3 ARG B 445 10.435 18.000 -14.429 1.00 0.00 H new ATOM 0 HD2 ARG B 445 12.824 18.600 -16.104 1.00 0.00 H new ATOM 0 HD3 ARG B 445 13.102 17.498 -14.770 1.00 0.00 H new ATOM 0 HE ARG B 445 10.899 16.365 -15.831 1.00 0.00 H new ATOM 0 HH11 ARG B 445 13.772 17.703 -17.385 1.00 0.00 H new ATOM 0 HH12 ARG B 445 13.681 16.603 -18.765 1.00 0.00 H new ATOM 0 HH21 ARG B 445 10.789 14.954 -17.605 1.00 0.00 H new ATOM 0 HH22 ARG B 445 11.999 15.053 -18.888 1.00 0.00 H new