USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 664 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 -177:sc= -10! (180deg=-5.08!) USER MOD Set 1.2: B 369 ASN :FLIP amide:sc= -4.27! C(o=-19!,f=-14!) USER MOD Single : B 371 LYS NZ :NH3+ 172:sc= 0.00421 (180deg=0.00232) USER MOD Single : B 373 GLN :FLIP amide:sc= -4.46! C(o=-6.2!,f=-4.5!) 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 380 TYR OH : rot 180:sc= -1.25! USER MOD Single : B 382 SER OG : rot 102:sc= 0.227! USER MOD Single : B 386 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : B 387 TYR OH : rot -155:sc= -2.03! 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 -88:sc= -1.52! USER MOD Single : B 399 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 400 SER OG : rot 180:sc= 0 USER MOD Single : B 404 CYS SG : rot -163:sc= -3.75! USER MOD Single : B 410 THR OG1 : rot 89:sc= 1.27 USER MOD Single : B 414 THR OG1 : rot 180:sc= -0.062 USER MOD Single : B 419 ASN : amide:sc= -5.58! C(o=-5.6!,f=-14!) USER MOD Single : B 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -2.89! C(o=-2.9!,f=-13!) USER MOD Single : B 435 LYS NZ :NH3+ -112:sc= -0.0605 (180deg=-0.485) USER MOD Single : B 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 437 MET CE :methyl -131:sc= -1.54 (180deg=-6.57!) USER MOD Single : B 441 TYR OH : rot 150:sc= -5.13! USER MOD Single : B 443 LYS NZ :NH3+ -155:sc= -0.235 (180deg=-0.817) USER MOD Single : B 444 GLN :FLIP amide:sc= -0.235 F(o=-1.2,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1050 N LEU B 366 2.173 3.272 10.934 1.00 0.00 N ATOM 1051 CA LEU B 366 2.172 2.203 9.947 1.00 0.00 C ATOM 1052 C LEU B 366 1.017 2.323 8.961 1.00 0.00 C ATOM 1053 O LEU B 366 0.030 3.014 9.218 1.00 0.00 O ATOM 1054 CB LEU B 366 2.128 0.844 10.647 1.00 0.00 C ATOM 1055 CG LEU B 366 0.726 0.279 10.876 1.00 0.00 C ATOM 1056 CD1 LEU B 366 0.780 -0.916 11.813 1.00 0.00 C ATOM 1057 CD2 LEU B 366 -0.193 1.355 11.432 1.00 0.00 C ATOM 0 HA LEU B 366 3.095 2.291 9.373 1.00 0.00 H new ATOM 0 HB2 LEU B 366 2.699 0.129 10.055 1.00 0.00 H new ATOM 0 HB3 LEU B 366 2.629 0.932 11.611 1.00 0.00 H new ATOM 0 HG LEU B 366 0.326 -0.055 9.919 1.00 0.00 H new ATOM 0 HD11 LEU B 366 -0.227 -1.305 11.965 1.00 0.00 H new ATOM 0 HD12 LEU B 366 1.407 -1.693 11.376 1.00 0.00 H new ATOM 0 HD13 LEU B 366 1.198 -0.608 12.771 1.00 0.00 H new ATOM 0 HD21 LEU B 366 -1.188 0.938 11.590 1.00 0.00 H new ATOM 0 HD22 LEU B 366 0.203 1.717 12.381 1.00 0.00 H new ATOM 0 HD23 LEU B 366 -0.254 2.182 10.725 1.00 0.00 H new ATOM 1069 N ASP B 367 1.179 1.659 7.814 1.00 0.00 N ATOM 1070 CA ASP B 367 0.182 1.672 6.746 1.00 0.00 C ATOM 1071 C ASP B 367 -0.663 2.938 6.792 1.00 0.00 C ATOM 1072 O ASP B 367 -0.258 3.980 6.279 1.00 0.00 O ATOM 1073 CB ASP B 367 -0.710 0.432 6.833 1.00 0.00 C ATOM 1074 CG ASP B 367 -1.847 0.463 5.829 1.00 0.00 C ATOM 1075 OD1 ASP B 367 -1.566 0.597 4.619 1.00 0.00 O ATOM 1076 OD2 ASP B 367 -3.017 0.351 6.251 1.00 0.00 O ATOM 0 H ASP B 367 2.004 1.099 7.602 1.00 0.00 H new ATOM 0 HA ASP B 367 0.712 1.658 5.794 1.00 0.00 H new ATOM 0 HB2 ASP B 367 -0.105 -0.459 6.665 1.00 0.00 H new ATOM 0 HB3 ASP B 367 -1.120 0.353 7.840 1.00 0.00 H new ATOM 1081 N MET B 368 -1.834 2.849 7.414 1.00 0.00 N ATOM 1082 CA MET B 368 -2.720 3.998 7.522 1.00 0.00 C ATOM 1083 C MET B 368 -1.926 5.257 7.844 1.00 0.00 C ATOM 1084 O MET B 368 -1.993 6.247 7.112 1.00 0.00 O ATOM 1085 CB MET B 368 -3.784 3.760 8.593 1.00 0.00 C ATOM 1086 CG MET B 368 -3.284 2.954 9.780 1.00 0.00 C ATOM 1087 SD MET B 368 -3.730 3.702 11.359 1.00 0.00 S ATOM 1088 CE MET B 368 -2.927 5.296 11.214 1.00 0.00 C ATOM 0 H MET B 368 -2.189 1.997 7.848 1.00 0.00 H new ATOM 0 HA MET B 368 -3.217 4.134 6.562 1.00 0.00 H new ATOM 0 HB2 MET B 368 -4.152 4.723 8.948 1.00 0.00 H new ATOM 0 HB3 MET B 368 -4.630 3.241 8.143 1.00 0.00 H new ATOM 0 HG2 MET B 368 -3.696 1.946 9.730 1.00 0.00 H new ATOM 0 HG3 MET B 368 -2.200 2.859 9.720 1.00 0.00 H new ATOM 0 HE1 MET B 368 -3.065 5.858 12.137 1.00 0.00 H new ATOM 0 HE2 MET B 368 -1.862 5.152 11.033 1.00 0.00 H new ATOM 0 HE3 MET B 368 -3.364 5.849 10.383 1.00 0.00 H new ATOM 1098 N ASN B 369 -1.166 5.222 8.938 1.00 0.00 N ATOM 1099 CA ASN B 369 -0.371 6.373 9.323 1.00 0.00 C ATOM 1100 C ASN B 369 0.663 6.663 8.252 1.00 0.00 C ATOM 1101 O ASN B 369 0.988 7.821 7.987 1.00 0.00 O ATOM 1102 CB ASN B 369 0.303 6.130 10.669 1.00 0.00 C ATOM 1103 CG ASN B 369 -0.357 6.896 11.794 1.00 0.00 C ATOM 1104 OD1 ASN B 369 -0.923 6.165 12.746 1.00 0.00 O flip ATOM 1105 ND2 ASN B 369 -0.362 8.127 11.808 1.00 0.00 N flip ATOM 0 H ASN B 369 -1.088 4.418 9.561 1.00 0.00 H new ATOM 0 HA ASN B 369 -1.026 7.239 9.424 1.00 0.00 H new ATOM 0 HB2 ASN B 369 0.279 5.064 10.896 1.00 0.00 H new ATOM 0 HB3 ASN B 369 1.352 6.419 10.604 1.00 0.00 H new ATOM 0 HD21 ASN B 369 0.086 8.647 11.054 1.00 0.00 H new ATOM 0 HD22 ASN B 369 -0.814 8.626 12.574 1.00 0.00 H new ATOM 1112 N ALA B 370 1.169 5.607 7.622 1.00 0.00 N ATOM 1113 CA ALA B 370 2.154 5.763 6.565 1.00 0.00 C ATOM 1114 C ALA B 370 1.570 6.538 5.389 1.00 0.00 C ATOM 1115 O ALA B 370 1.921 7.697 5.168 1.00 0.00 O ATOM 1116 CB ALA B 370 2.673 4.410 6.102 1.00 0.00 C ATOM 0 H ALA B 370 0.913 4.641 7.826 1.00 0.00 H new ATOM 0 HA ALA B 370 2.991 6.331 6.970 1.00 0.00 H new ATOM 0 HB1 ALA B 370 3.409 4.554 5.311 1.00 0.00 H new ATOM 0 HB2 ALA B 370 3.139 3.893 6.941 1.00 0.00 H new ATOM 0 HB3 ALA B 370 1.844 3.813 5.722 1.00 0.00 H new ATOM 1122 N LYS B 371 0.675 5.900 4.636 1.00 0.00 N ATOM 1123 CA LYS B 371 0.051 6.555 3.492 1.00 0.00 C ATOM 1124 C LYS B 371 -0.250 8.008 3.828 1.00 0.00 C ATOM 1125 O LYS B 371 -0.093 8.897 2.991 1.00 0.00 O ATOM 1126 CB LYS B 371 -1.234 5.832 3.077 1.00 0.00 C ATOM 1127 CG LYS B 371 -1.981 5.187 4.233 1.00 0.00 C ATOM 1128 CD LYS B 371 -2.227 3.708 3.974 1.00 0.00 C ATOM 1129 CE LYS B 371 -3.698 3.354 4.115 1.00 0.00 C ATOM 1130 NZ LYS B 371 -4.080 2.208 3.244 1.00 0.00 N ATOM 0 H LYS B 371 0.369 4.940 4.796 1.00 0.00 H new ATOM 0 HA LYS B 371 0.746 6.516 2.653 1.00 0.00 H new ATOM 0 HB2 LYS B 371 -1.895 6.543 2.582 1.00 0.00 H new ATOM 0 HB3 LYS B 371 -0.986 5.064 2.344 1.00 0.00 H new ATOM 0 HG2 LYS B 371 -1.407 5.307 5.152 1.00 0.00 H new ATOM 0 HG3 LYS B 371 -2.933 5.696 4.383 1.00 0.00 H new ATOM 0 HD2 LYS B 371 -1.885 3.451 2.971 1.00 0.00 H new ATOM 0 HD3 LYS B 371 -1.640 3.113 4.673 1.00 0.00 H new ATOM 0 HE2 LYS B 371 -3.914 3.107 5.155 1.00 0.00 H new ATOM 0 HE3 LYS B 371 -4.306 4.222 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 -5.051 1.911 3.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 -4.027 2.497 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 -3.429 1.414 3.409 1.00 0.00 H new ATOM 1144 N ARG B 372 -0.671 8.242 5.066 1.00 0.00 N ATOM 1145 CA ARG B 372 -0.979 9.590 5.523 1.00 0.00 C ATOM 1146 C ARG B 372 0.267 10.466 5.459 1.00 0.00 C ATOM 1147 O ARG B 372 0.226 11.588 4.953 1.00 0.00 O ATOM 1148 CB ARG B 372 -1.520 9.555 6.954 1.00 0.00 C ATOM 1149 CG ARG B 372 -2.511 10.665 7.260 1.00 0.00 C ATOM 1150 CD ARG B 372 -1.845 11.827 7.980 1.00 0.00 C ATOM 1151 NE ARG B 372 -1.497 11.492 9.363 1.00 0.00 N ATOM 1152 CZ ARG B 372 -0.250 11.325 9.811 1.00 0.00 C ATOM 1153 NH1 ARG B 372 0.791 11.445 8.995 1.00 0.00 N ATOM 1154 NH2 ARG B 372 -0.045 11.032 11.088 1.00 0.00 N ATOM 0 H ARG B 372 -0.806 7.516 5.770 1.00 0.00 H new ATOM 0 HA ARG B 372 -1.742 10.012 4.869 1.00 0.00 H new ATOM 0 HB2 ARG B 372 -2.001 8.592 7.128 1.00 0.00 H new ATOM 0 HB3 ARG B 372 -0.684 9.624 7.651 1.00 0.00 H new ATOM 0 HG2 ARG B 372 -2.959 11.020 6.332 1.00 0.00 H new ATOM 0 HG3 ARG B 372 -3.321 10.271 7.874 1.00 0.00 H new ATOM 0 HD2 ARG B 372 -0.944 12.119 7.440 1.00 0.00 H new ATOM 0 HD3 ARG B 372 -2.513 12.688 7.973 1.00 0.00 H new ATOM 0 HE ARG B 372 -2.260 11.378 10.030 1.00 0.00 H new ATOM 0 HH11 ARG B 372 0.644 11.668 8.011 1.00 0.00 H new ATOM 0 HH12 ARG B 372 1.737 11.314 9.353 1.00 0.00 H new ATOM 0 HH21 ARG B 372 -0.838 10.935 11.723 1.00 0.00 H new ATOM 0 HH22 ARG B 372 0.905 10.903 11.436 1.00 0.00 H new ATOM 1168 N GLN B 373 1.379 9.933 5.958 1.00 0.00 N ATOM 1169 CA GLN B 373 2.648 10.651 5.950 1.00 0.00 C ATOM 1170 C GLN B 373 3.076 10.967 4.524 1.00 0.00 C ATOM 1171 O GLN B 373 3.255 12.128 4.152 1.00 0.00 O ATOM 1172 CB GLN B 373 3.735 9.815 6.636 1.00 0.00 C ATOM 1173 CG GLN B 373 4.547 10.592 7.661 1.00 0.00 C ATOM 1174 CD GLN B 373 5.258 11.794 7.068 1.00 0.00 C ATOM 1175 OE1 GLN B 373 5.545 11.740 5.771 1.00 0.00 O flip ATOM 1176 NE2 GLN B 373 5.551 12.760 7.771 1.00 0.00 N flip ATOM 0 H GLN B 373 1.426 9.003 6.374 1.00 0.00 H new ATOM 0 HA GLN B 373 2.513 11.585 6.495 1.00 0.00 H new ATOM 0 HB2 GLN B 373 3.269 8.961 7.127 1.00 0.00 H new ATOM 0 HB3 GLN B 373 4.409 9.418 5.877 1.00 0.00 H new ATOM 0 HG2 GLN B 373 3.887 10.926 8.461 1.00 0.00 H new ATOM 0 HG3 GLN B 373 5.284 9.927 8.112 1.00 0.00 H new ATOM 0 HE21 GLN B 373 5.312 12.760 8.763 1.00 0.00 H new ATOM 0 HE22 GLN B 373 6.033 13.561 7.362 1.00 0.00 H new ATOM 1185 N LEU B 374 3.242 9.912 3.740 1.00 0.00 N ATOM 1186 CA LEU B 374 3.661 10.034 2.349 1.00 0.00 C ATOM 1187 C LEU B 374 2.879 11.113 1.609 1.00 0.00 C ATOM 1188 O LEU B 374 3.431 12.146 1.231 1.00 0.00 O ATOM 1189 CB LEU B 374 3.489 8.697 1.623 1.00 0.00 C ATOM 1190 CG LEU B 374 3.651 7.455 2.499 1.00 0.00 C ATOM 1191 CD1 LEU B 374 3.748 6.205 1.639 1.00 0.00 C ATOM 1192 CD2 LEU B 374 4.875 7.591 3.391 1.00 0.00 C ATOM 0 H LEU B 374 3.091 8.951 4.047 1.00 0.00 H new ATOM 0 HA LEU B 374 4.713 10.321 2.355 1.00 0.00 H new ATOM 0 HB2 LEU B 374 2.499 8.674 1.167 1.00 0.00 H new ATOM 0 HB3 LEU B 374 4.215 8.647 0.811 1.00 0.00 H new ATOM 0 HG LEU B 374 2.771 7.363 3.136 1.00 0.00 H new ATOM 0 HD11 LEU B 374 3.863 5.331 2.280 1.00 0.00 H new ATOM 0 HD12 LEU B 374 2.841 6.102 1.043 1.00 0.00 H new ATOM 0 HD13 LEU B 374 4.610 6.285 0.976 1.00 0.00 H new ATOM 0 HD21 LEU B 374 4.976 6.698 4.008 1.00 0.00 H new ATOM 0 HD22 LEU B 374 5.765 7.707 2.772 1.00 0.00 H new ATOM 0 HD23 LEU B 374 4.762 8.465 4.032 1.00 0.00 H new ATOM 1204 N TYR B 375 1.601 10.846 1.368 1.00 0.00 N ATOM 1205 CA TYR B 375 0.754 11.772 0.628 1.00 0.00 C ATOM 1206 C TYR B 375 0.400 13.025 1.424 1.00 0.00 C ATOM 1207 O TYR B 375 0.715 14.137 1.005 1.00 0.00 O ATOM 1208 CB TYR B 375 -0.526 11.069 0.172 1.00 0.00 C ATOM 1209 CG TYR B 375 -0.512 10.664 -1.286 1.00 0.00 C ATOM 1210 CD1 TYR B 375 0.376 9.702 -1.752 1.00 0.00 C ATOM 1211 CD2 TYR B 375 -1.388 11.245 -2.196 1.00 0.00 C ATOM 1212 CE1 TYR B 375 0.389 9.329 -3.083 1.00 0.00 C ATOM 1213 CE2 TYR B 375 -1.379 10.877 -3.528 1.00 0.00 C ATOM 1214 CZ TYR B 375 -0.489 9.919 -3.966 1.00 0.00 C ATOM 1215 OH TYR B 375 -0.478 9.552 -5.293 1.00 0.00 O ATOM 0 H TYR B 375 1.129 9.995 1.675 1.00 0.00 H new ATOM 0 HA TYR B 375 1.331 12.096 -0.238 1.00 0.00 H new ATOM 0 HB2 TYR B 375 -0.680 10.181 0.785 1.00 0.00 H new ATOM 0 HB3 TYR B 375 -1.375 11.729 0.348 1.00 0.00 H new ATOM 0 HD1 TYR B 375 1.067 9.238 -1.063 1.00 0.00 H new ATOM 0 HD2 TYR B 375 -2.086 11.996 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR B 375 1.084 8.579 -3.429 1.00 0.00 H new ATOM 0 HE2 TYR B 375 -2.066 11.338 -4.223 1.00 0.00 H new ATOM 0 HH TYR B 375 -1.159 10.062 -5.779 1.00 0.00 H new ATOM 1225 N SER B 376 -0.278 12.861 2.552 1.00 0.00 N ATOM 1226 CA SER B 376 -0.684 14.005 3.354 1.00 0.00 C ATOM 1227 C SER B 376 0.500 14.887 3.735 1.00 0.00 C ATOM 1228 O SER B 376 0.499 16.088 3.466 1.00 0.00 O ATOM 1229 CB SER B 376 -1.404 13.530 4.616 1.00 0.00 C ATOM 1230 OG SER B 376 -2.402 14.453 5.015 1.00 0.00 O ATOM 0 H SER B 376 -0.556 11.955 2.929 1.00 0.00 H new ATOM 0 HA SER B 376 -1.361 14.606 2.747 1.00 0.00 H new ATOM 0 HB2 SER B 376 -1.858 12.556 4.434 1.00 0.00 H new ATOM 0 HB3 SER B 376 -0.682 13.400 5.422 1.00 0.00 H new ATOM 0 HG SER B 376 -2.848 14.124 5.823 1.00 0.00 H new ATOM 1236 N LEU B 377 1.491 14.298 4.391 1.00 0.00 N ATOM 1237 CA LEU B 377 2.653 15.054 4.836 1.00 0.00 C ATOM 1238 C LEU B 377 3.573 15.460 3.687 1.00 0.00 C ATOM 1239 O LEU B 377 4.035 16.600 3.642 1.00 0.00 O ATOM 1240 CB LEU B 377 3.440 14.258 5.876 1.00 0.00 C ATOM 1241 CG LEU B 377 3.567 14.937 7.240 1.00 0.00 C ATOM 1242 CD1 LEU B 377 3.902 16.410 7.071 1.00 0.00 C ATOM 1243 CD2 LEU B 377 2.283 14.770 8.039 1.00 0.00 C ATOM 0 H LEU B 377 1.514 13.306 4.625 1.00 0.00 H new ATOM 0 HA LEU B 377 2.274 15.973 5.284 1.00 0.00 H new ATOM 0 HB2 LEU B 377 2.960 13.289 6.011 1.00 0.00 H new ATOM 0 HB3 LEU B 377 4.440 14.067 5.486 1.00 0.00 H new ATOM 0 HG LEU B 377 4.379 14.460 7.789 1.00 0.00 H new ATOM 0 HD11 LEU B 377 3.989 16.878 8.051 1.00 0.00 H new ATOM 0 HD12 LEU B 377 4.847 16.509 6.537 1.00 0.00 H new ATOM 0 HD13 LEU B 377 3.111 16.900 6.504 1.00 0.00 H new ATOM 0 HD21 LEU B 377 2.391 15.259 9.007 1.00 0.00 H new ATOM 0 HD22 LEU B 377 1.454 15.222 7.494 1.00 0.00 H new ATOM 0 HD23 LEU B 377 2.083 13.709 8.189 1.00 0.00 H new ATOM 1255 N ILE B 378 3.873 14.537 2.775 1.00 0.00 N ATOM 1256 CA ILE B 378 4.776 14.848 1.671 1.00 0.00 C ATOM 1257 C ILE B 378 4.190 14.481 0.312 1.00 0.00 C ATOM 1258 O ILE B 378 4.903 13.997 -0.567 1.00 0.00 O ATOM 1259 CB ILE B 378 6.114 14.115 1.854 1.00 0.00 C ATOM 1260 CG1 ILE B 378 6.637 14.368 3.260 1.00 0.00 C ATOM 1261 CG2 ILE B 378 7.128 14.570 0.818 1.00 0.00 C ATOM 1262 CD1 ILE B 378 7.189 15.765 3.448 1.00 0.00 C ATOM 0 H ILE B 378 3.511 13.584 2.778 1.00 0.00 H new ATOM 0 HA ILE B 378 4.929 15.927 1.689 1.00 0.00 H new ATOM 0 HB ILE B 378 5.955 13.046 1.714 1.00 0.00 H new ATOM 0 HG12 ILE B 378 5.831 14.203 3.976 1.00 0.00 H new ATOM 0 HG13 ILE B 378 7.418 13.642 3.486 1.00 0.00 H new ATOM 0 HG21 ILE B 378 8.067 14.037 0.969 1.00 0.00 H new ATOM 0 HG22 ILE B 378 6.747 14.359 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE B 378 7.299 15.641 0.922 1.00 0.00 H new ATOM 0 HD11 ILE B 378 7.545 15.881 4.472 1.00 0.00 H new ATOM 0 HD12 ILE B 378 8.015 15.926 2.756 1.00 0.00 H new ATOM 0 HD13 ILE B 378 6.404 16.496 3.252 1.00 0.00 H new ATOM 1274 N GLY B 379 2.898 14.715 0.140 1.00 0.00 N ATOM 1275 CA GLY B 379 2.255 14.402 -1.124 1.00 0.00 C ATOM 1276 C GLY B 379 1.833 15.645 -1.881 1.00 0.00 C ATOM 1277 O GLY B 379 0.646 15.963 -1.951 1.00 0.00 O ATOM 0 H GLY B 379 2.283 15.115 0.849 1.00 0.00 H new ATOM 0 HA2 GLY B 379 2.938 13.818 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY B 379 1.381 13.778 -0.939 1.00 0.00 H new ATOM 1281 N TYR B 380 2.806 16.351 -2.451 1.00 0.00 N ATOM 1282 CA TYR B 380 2.523 17.565 -3.208 1.00 0.00 C ATOM 1283 C TYR B 380 2.404 17.261 -4.697 1.00 0.00 C ATOM 1284 O TYR B 380 2.254 16.104 -5.092 1.00 0.00 O ATOM 1285 CB TYR B 380 3.615 18.611 -2.970 1.00 0.00 C ATOM 1286 CG TYR B 380 4.900 18.344 -3.724 1.00 0.00 C ATOM 1287 CD1 TYR B 380 5.883 17.515 -3.193 1.00 0.00 C ATOM 1288 CD2 TYR B 380 5.133 18.924 -4.965 1.00 0.00 C ATOM 1289 CE1 TYR B 380 7.061 17.275 -3.878 1.00 0.00 C ATOM 1290 CE2 TYR B 380 6.307 18.689 -5.655 1.00 0.00 C ATOM 1291 CZ TYR B 380 7.266 17.865 -5.108 1.00 0.00 C ATOM 1292 OH TYR B 380 8.437 17.632 -5.793 1.00 0.00 O ATOM 0 H TYR B 380 3.794 16.104 -2.403 1.00 0.00 H new ATOM 0 HA TYR B 380 1.570 17.965 -2.861 1.00 0.00 H new ATOM 0 HB2 TYR B 380 3.234 19.591 -3.258 1.00 0.00 H new ATOM 0 HB3 TYR B 380 3.835 18.655 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR B 380 5.724 17.051 -2.231 1.00 0.00 H new ATOM 0 HD2 TYR B 380 4.383 19.570 -5.398 1.00 0.00 H new ATOM 0 HE1 TYR B 380 7.815 16.630 -3.452 1.00 0.00 H new ATOM 0 HE2 TYR B 380 6.472 19.149 -6.618 1.00 0.00 H new ATOM 0 HH TYR B 380 8.422 18.121 -6.642 1.00 0.00 H new ATOM 1302 N ALA B 381 2.463 18.303 -5.519 1.00 0.00 N ATOM 1303 CA ALA B 381 2.354 18.144 -6.963 1.00 0.00 C ATOM 1304 C ALA B 381 3.729 18.118 -7.625 1.00 0.00 C ATOM 1305 O ALA B 381 4.519 19.046 -7.463 1.00 0.00 O ATOM 1306 CB ALA B 381 1.507 19.256 -7.567 1.00 0.00 C ATOM 0 H ALA B 381 2.586 19.267 -5.209 1.00 0.00 H new ATOM 0 HA ALA B 381 1.866 17.187 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA B 381 1.439 19.117 -8.646 1.00 0.00 H new ATOM 0 HB2 ALA B 381 0.507 19.228 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA B 381 1.967 20.221 -7.354 1.00 0.00 H new ATOM 1312 N SER B 382 3.991 17.051 -8.380 1.00 0.00 N ATOM 1313 CA SER B 382 5.259 16.888 -9.093 1.00 0.00 C ATOM 1314 C SER B 382 6.267 16.070 -8.287 1.00 0.00 C ATOM 1315 O SER B 382 7.304 15.664 -8.815 1.00 0.00 O ATOM 1316 CB SER B 382 5.860 18.252 -9.450 1.00 0.00 C ATOM 1317 OG SER B 382 4.851 19.172 -9.829 1.00 0.00 O ATOM 0 H SER B 382 3.336 16.281 -8.514 1.00 0.00 H new ATOM 0 HA SER B 382 5.041 16.341 -10.010 1.00 0.00 H new ATOM 0 HB2 SER B 382 6.412 18.644 -8.596 1.00 0.00 H new ATOM 0 HB3 SER B 382 6.575 18.136 -10.265 1.00 0.00 H new ATOM 0 HG SER B 382 4.661 19.776 -9.081 1.00 0.00 H new ATOM 1323 N LEU B 383 5.965 15.824 -7.015 1.00 0.00 N ATOM 1324 CA LEU B 383 6.864 15.045 -6.163 1.00 0.00 C ATOM 1325 C LEU B 383 7.350 13.803 -6.895 1.00 0.00 C ATOM 1326 O LEU B 383 8.518 13.427 -6.803 1.00 0.00 O ATOM 1327 CB LEU B 383 6.164 14.636 -4.867 1.00 0.00 C ATOM 1328 CG LEU B 383 7.102 14.185 -3.747 1.00 0.00 C ATOM 1329 CD1 LEU B 383 6.579 14.643 -2.395 1.00 0.00 C ATOM 1330 CD2 LEU B 383 7.271 12.673 -3.772 1.00 0.00 C ATOM 0 H LEU B 383 5.115 16.148 -6.554 1.00 0.00 H new ATOM 0 HA LEU B 383 7.721 15.673 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU B 383 5.572 15.478 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU B 383 5.467 13.827 -5.086 1.00 0.00 H new ATOM 0 HG LEU B 383 8.078 14.643 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU B 383 7.260 14.313 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU B 383 6.510 15.731 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU B 383 5.592 14.214 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU B 383 7.942 12.369 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU B 383 6.300 12.196 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU B 383 7.692 12.370 -4.731 1.00 0.00 H new ATOM 1342 N ARG B 384 6.441 13.180 -7.634 1.00 0.00 N ATOM 1343 CA ARG B 384 6.761 11.986 -8.404 1.00 0.00 C ATOM 1344 C ARG B 384 7.081 10.795 -7.503 1.00 0.00 C ATOM 1345 O ARG B 384 8.200 10.282 -7.526 1.00 0.00 O ATOM 1346 CB ARG B 384 7.947 12.257 -9.332 1.00 0.00 C ATOM 1347 CG ARG B 384 8.045 11.286 -10.495 1.00 0.00 C ATOM 1348 CD ARG B 384 7.015 11.598 -11.567 1.00 0.00 C ATOM 1349 NE ARG B 384 6.745 10.443 -12.415 1.00 0.00 N ATOM 1350 CZ ARG B 384 5.944 9.442 -12.065 1.00 0.00 C ATOM 1351 NH1 ARG B 384 5.336 9.459 -10.886 1.00 0.00 N ATOM 1352 NH2 ARG B 384 5.753 8.423 -12.891 1.00 0.00 N ATOM 0 H ARG B 384 5.471 13.484 -7.716 1.00 0.00 H new ATOM 0 HA ARG B 384 5.879 11.736 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG B 384 7.867 13.271 -9.723 1.00 0.00 H new ATOM 0 HB3 ARG B 384 8.869 12.210 -8.752 1.00 0.00 H new ATOM 0 HG2 ARG B 384 9.045 11.332 -10.925 1.00 0.00 H new ATOM 0 HG3 ARG B 384 7.899 10.268 -10.134 1.00 0.00 H new ATOM 0 HD2 ARG B 384 6.089 11.927 -11.096 1.00 0.00 H new ATOM 0 HD3 ARG B 384 7.370 12.425 -12.182 1.00 0.00 H new ATOM 0 HE ARG B 384 7.197 10.401 -13.329 1.00 0.00 H new ATOM 0 HH11 ARG B 384 5.483 10.241 -10.248 1.00 0.00 H new ATOM 0 HH12 ARG B 384 4.721 8.690 -10.618 1.00 0.00 H new ATOM 0 HH21 ARG B 384 6.221 8.406 -13.797 1.00 0.00 H new ATOM 0 HH22 ARG B 384 5.138 7.656 -12.621 1.00 0.00 H new ATOM 1366 N LEU B 385 6.097 10.332 -6.737 1.00 0.00 N ATOM 1367 CA LEU B 385 6.301 9.181 -5.876 1.00 0.00 C ATOM 1368 C LEU B 385 6.724 8.003 -6.735 1.00 0.00 C ATOM 1369 O LEU B 385 6.470 7.994 -7.939 1.00 0.00 O ATOM 1370 CB LEU B 385 5.020 8.844 -5.110 1.00 0.00 C ATOM 1371 CG LEU B 385 5.183 8.738 -3.594 1.00 0.00 C ATOM 1372 CD1 LEU B 385 4.125 9.570 -2.886 1.00 0.00 C ATOM 1373 CD2 LEU B 385 5.106 7.285 -3.152 1.00 0.00 C ATOM 0 H LEU B 385 5.161 10.735 -6.698 1.00 0.00 H new ATOM 0 HA LEU B 385 7.077 9.407 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU B 385 4.273 9.607 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU B 385 4.628 7.899 -5.485 1.00 0.00 H new ATOM 0 HG LEU B 385 6.164 9.128 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU B 385 4.256 9.483 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU B 385 4.226 10.614 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU B 385 3.134 9.209 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU B 385 5.224 7.227 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU B 385 4.139 6.870 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU B 385 5.900 6.715 -3.634 1.00 0.00 H new ATOM 1385 N HIS B 386 7.383 7.025 -6.142 1.00 0.00 N ATOM 1386 CA HIS B 386 7.835 5.882 -6.927 1.00 0.00 C ATOM 1387 C HIS B 386 8.110 4.621 -6.107 1.00 0.00 C ATOM 1388 O HIS B 386 9.263 4.218 -5.944 1.00 0.00 O ATOM 1389 CB HIS B 386 9.088 6.258 -7.714 1.00 0.00 C ATOM 1390 CG HIS B 386 8.976 5.990 -9.181 1.00 0.00 C ATOM 1391 ND1 HIS B 386 9.503 6.828 -10.139 1.00 0.00 N ATOM 1392 CD2 HIS B 386 8.389 4.972 -9.855 1.00 0.00 C ATOM 1393 CE1 HIS B 386 9.248 6.338 -11.338 1.00 0.00 C ATOM 1394 NE2 HIS B 386 8.574 5.213 -11.193 1.00 0.00 N ATOM 0 H HIS B 386 7.614 6.993 -5.149 1.00 0.00 H new ATOM 0 HA HIS B 386 7.010 5.637 -7.595 1.00 0.00 H new ATOM 0 HB2 HIS B 386 9.299 7.317 -7.562 1.00 0.00 H new ATOM 0 HB3 HIS B 386 9.937 5.703 -7.316 1.00 0.00 H new ATOM 0 HD2 HIS B 386 7.872 4.129 -9.421 1.00 0.00 H new ATOM 0 HE1 HIS B 386 9.541 6.782 -12.278 1.00 0.00 H new ATOM 0 HE2 HIS B 386 8.244 4.618 -11.953 1.00 0.00 H new ATOM 1403 N TYR B 387 7.049 3.975 -5.635 1.00 0.00 N ATOM 1404 CA TYR B 387 7.194 2.729 -4.894 1.00 0.00 C ATOM 1405 C TYR B 387 7.234 1.554 -5.853 1.00 0.00 C ATOM 1406 O TYR B 387 6.194 1.047 -6.274 1.00 0.00 O ATOM 1407 CB TYR B 387 6.056 2.545 -3.904 1.00 0.00 C ATOM 1408 CG TYR B 387 6.341 3.231 -2.610 1.00 0.00 C ATOM 1409 CD1 TYR B 387 6.681 4.566 -2.608 1.00 0.00 C ATOM 1410 CD2 TYR B 387 6.299 2.552 -1.404 1.00 0.00 C ATOM 1411 CE1 TYR B 387 6.973 5.222 -1.443 1.00 0.00 C ATOM 1412 CE2 TYR B 387 6.587 3.197 -0.221 1.00 0.00 C ATOM 1413 CZ TYR B 387 6.926 4.537 -0.243 1.00 0.00 C ATOM 1414 OH TYR B 387 7.216 5.190 0.932 1.00 0.00 O ATOM 0 H TYR B 387 6.086 4.291 -5.751 1.00 0.00 H new ATOM 0 HA TYR B 387 8.130 2.775 -4.337 1.00 0.00 H new ATOM 0 HB2 TYR B 387 5.134 2.939 -4.331 1.00 0.00 H new ATOM 0 HB3 TYR B 387 5.896 1.482 -3.726 1.00 0.00 H new ATOM 0 HD1 TYR B 387 6.718 5.105 -3.543 1.00 0.00 H new ATOM 0 HD2 TYR B 387 6.037 1.504 -1.390 1.00 0.00 H new ATOM 0 HE1 TYR B 387 7.239 6.269 -1.461 1.00 0.00 H new ATOM 0 HE2 TYR B 387 6.548 2.660 0.715 1.00 0.00 H new ATOM 0 HH TYR B 387 7.528 4.542 1.598 1.00 0.00 H new ATOM 1424 N VAL B 388 8.437 1.128 -6.200 1.00 0.00 N ATOM 1425 CA VAL B 388 8.607 0.011 -7.120 1.00 0.00 C ATOM 1426 C VAL B 388 8.634 -1.311 -6.373 1.00 0.00 C ATOM 1427 O VAL B 388 9.278 -1.437 -5.333 1.00 0.00 O ATOM 1428 CB VAL B 388 9.896 0.129 -7.962 1.00 0.00 C ATOM 1429 CG1 VAL B 388 9.552 0.393 -9.418 1.00 0.00 C ATOM 1430 CG2 VAL B 388 10.816 1.212 -7.418 1.00 0.00 C ATOM 0 H VAL B 388 9.309 1.535 -5.861 1.00 0.00 H new ATOM 0 HA VAL B 388 7.750 0.043 -7.793 1.00 0.00 H new ATOM 0 HB VAL B 388 10.431 -0.819 -7.897 1.00 0.00 H new ATOM 0 HG11 VAL B 388 10.470 0.474 -10.000 1.00 0.00 H new ATOM 0 HG12 VAL B 388 8.949 -0.429 -9.804 1.00 0.00 H new ATOM 0 HG13 VAL B 388 8.990 1.324 -9.496 1.00 0.00 H new ATOM 0 HG21 VAL B 388 11.714 1.269 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL B 388 10.300 2.172 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL B 388 11.094 0.972 -6.392 1.00 0.00 H new ATOM 1440 N THR B 389 7.939 -2.298 -6.917 1.00 0.00 N ATOM 1441 CA THR B 389 7.892 -3.617 -6.309 1.00 0.00 C ATOM 1442 C THR B 389 8.908 -4.535 -6.973 1.00 0.00 C ATOM 1443 O THR B 389 8.925 -4.680 -8.195 1.00 0.00 O ATOM 1444 CB THR B 389 6.483 -4.233 -6.416 1.00 0.00 C ATOM 1445 OG1 THR B 389 5.607 -3.703 -5.415 1.00 0.00 O ATOM 1446 CG2 THR B 389 6.527 -5.748 -6.265 1.00 0.00 C ATOM 0 H THR B 389 7.400 -2.210 -7.778 1.00 0.00 H new ATOM 0 HA THR B 389 8.137 -3.508 -5.252 1.00 0.00 H new ATOM 0 HB THR B 389 6.105 -3.976 -7.406 1.00 0.00 H new ATOM 0 HG1 THR B 389 4.720 -4.110 -5.508 1.00 0.00 H new ATOM 0 HG21 THR B 389 5.517 -6.151 -6.345 1.00 0.00 H new ATOM 0 HG22 THR B 389 7.151 -6.174 -7.050 1.00 0.00 H new ATOM 0 HG23 THR B 389 6.944 -6.005 -5.291 1.00 0.00 H new ATOM 1454 N VAL B 390 9.761 -5.143 -6.161 1.00 0.00 N ATOM 1455 CA VAL B 390 10.787 -6.034 -6.675 1.00 0.00 C ATOM 1456 C VAL B 390 10.831 -7.342 -5.897 1.00 0.00 C ATOM 1457 O VAL B 390 10.465 -7.395 -4.721 1.00 0.00 O ATOM 1458 CB VAL B 390 12.172 -5.366 -6.619 1.00 0.00 C ATOM 1459 CG1 VAL B 390 12.209 -4.141 -7.519 1.00 0.00 C ATOM 1460 CG2 VAL B 390 12.523 -4.993 -5.186 1.00 0.00 C ATOM 0 H VAL B 390 9.762 -5.035 -5.147 1.00 0.00 H new ATOM 0 HA VAL B 390 10.531 -6.251 -7.712 1.00 0.00 H new ATOM 0 HB VAL B 390 12.915 -6.077 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL B 390 13.196 -3.681 -7.467 1.00 0.00 H new ATOM 0 HG12 VAL B 390 12.001 -4.438 -8.547 1.00 0.00 H new ATOM 0 HG13 VAL B 390 11.457 -3.424 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL B 390 13.506 -4.522 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL B 390 11.778 -4.298 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL B 390 12.537 -5.892 -4.569 1.00 0.00 H new ATOM 1470 N LYS B 391 11.289 -8.395 -6.567 1.00 0.00 N ATOM 1471 CA LYS B 391 11.399 -9.712 -5.959 1.00 0.00 C ATOM 1472 C LYS B 391 10.098 -10.499 -6.090 1.00 0.00 C ATOM 1473 O LYS B 391 9.859 -11.426 -5.316 1.00 0.00 O ATOM 1474 CB LYS B 391 11.786 -9.584 -4.488 1.00 0.00 C ATOM 1475 CG LYS B 391 12.324 -10.872 -3.880 1.00 0.00 C ATOM 1476 CD LYS B 391 13.082 -11.701 -4.904 1.00 0.00 C ATOM 1477 CE LYS B 391 13.939 -12.765 -4.237 1.00 0.00 C ATOM 1478 NZ LYS B 391 15.086 -13.177 -5.095 1.00 0.00 N ATOM 0 H LYS B 391 11.592 -8.358 -7.540 1.00 0.00 H new ATOM 0 HA LYS B 391 12.178 -10.259 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS B 391 12.540 -8.803 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS B 391 10.914 -9.261 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS B 391 12.983 -10.633 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS B 391 11.498 -11.458 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS B 391 12.375 -12.176 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS B 391 13.714 -11.048 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS B 391 14.315 -12.385 -3.287 1.00 0.00 H new ATOM 0 HE3 LYS B 391 13.324 -13.636 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 15.644 -13.903 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 14.728 -13.564 -5.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 15.688 -12.351 -5.290 1.00 0.00 H new ATOM 1492 N LYS B 392 9.270 -10.113 -7.070 1.00 0.00 N ATOM 1493 CA LYS B 392 7.974 -10.761 -7.329 1.00 0.00 C ATOM 1494 C LYS B 392 7.795 -12.034 -6.502 1.00 0.00 C ATOM 1495 O LYS B 392 8.611 -12.952 -6.572 1.00 0.00 O ATOM 1496 CB LYS B 392 7.839 -11.082 -8.820 1.00 0.00 C ATOM 1497 CG LYS B 392 7.748 -9.844 -9.699 1.00 0.00 C ATOM 1498 CD LYS B 392 8.687 -9.936 -10.891 1.00 0.00 C ATOM 1499 CE LYS B 392 8.951 -8.567 -11.496 1.00 0.00 C ATOM 1500 NZ LYS B 392 10.137 -7.908 -10.881 1.00 0.00 N ATOM 0 H LYS B 392 9.478 -9.343 -7.706 1.00 0.00 H new ATOM 0 HA LYS B 392 7.191 -10.063 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS B 392 8.695 -11.679 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS B 392 6.950 -11.693 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS B 392 6.724 -9.721 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS B 392 7.992 -8.960 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS B 392 9.630 -10.386 -10.580 1.00 0.00 H new ATOM 0 HD3 LYS B 392 8.255 -10.592 -11.647 1.00 0.00 H new ATOM 0 HE2 LYS B 392 9.108 -8.669 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS B 392 8.073 -7.935 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 392 10.284 -6.977 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 392 9.977 -7.788 -9.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 392 10.980 -8.499 -11.032 1.00 0.00 H new ATOM 1514 N PRO B 393 6.727 -12.091 -5.691 1.00 0.00 N ATOM 1515 CA PRO B 393 6.448 -13.241 -4.825 1.00 0.00 C ATOM 1516 C PRO B 393 6.195 -14.530 -5.593 1.00 0.00 C ATOM 1517 O PRO B 393 5.923 -14.519 -6.792 1.00 0.00 O ATOM 1518 CB PRO B 393 5.180 -12.845 -4.068 1.00 0.00 C ATOM 1519 CG PRO B 393 5.060 -11.367 -4.232 1.00 0.00 C ATOM 1520 CD PRO B 393 5.722 -11.030 -5.538 1.00 0.00 C ATOM 0 HA PRO B 393 7.306 -13.450 -4.186 1.00 0.00 H new ATOM 0 HB2 PRO B 393 4.306 -13.356 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO B 393 5.251 -13.118 -3.015 1.00 0.00 H new ATOM 0 HG2 PRO B 393 4.014 -11.060 -4.236 1.00 0.00 H new ATOM 0 HG3 PRO B 393 5.542 -10.844 -3.406 1.00 0.00 H new ATOM 0 HD2 PRO B 393 5.009 -11.030 -6.362 1.00 0.00 H new ATOM 0 HD3 PRO B 393 6.181 -10.042 -5.513 1.00 0.00 H new ATOM 1528 N THR B 394 6.289 -15.638 -4.872 1.00 0.00 N ATOM 1529 CA THR B 394 6.072 -16.959 -5.455 1.00 0.00 C ATOM 1530 C THR B 394 5.506 -17.935 -4.425 1.00 0.00 C ATOM 1531 O THR B 394 5.495 -17.648 -3.228 1.00 0.00 O ATOM 1532 CB THR B 394 7.374 -17.546 -6.041 1.00 0.00 C ATOM 1533 OG1 THR B 394 7.821 -18.678 -5.285 1.00 0.00 O ATOM 1534 CG2 THR B 394 8.487 -16.506 -6.055 1.00 0.00 C ATOM 0 H THR B 394 6.515 -15.650 -3.877 1.00 0.00 H new ATOM 0 HA THR B 394 5.350 -16.826 -6.261 1.00 0.00 H new ATOM 0 HB THR B 394 7.148 -17.856 -7.061 1.00 0.00 H new ATOM 0 HG1 THR B 394 8.395 -18.375 -4.551 1.00 0.00 H new ATOM 0 HG21 THR B 394 9.392 -16.947 -6.473 1.00 0.00 H new ATOM 0 HG22 THR B 394 8.183 -15.656 -6.665 1.00 0.00 H new ATOM 0 HG23 THR B 394 8.684 -16.170 -5.037 1.00 0.00 H new ATOM 1542 N ALA B 395 5.039 -19.090 -4.900 1.00 0.00 N ATOM 1543 CA ALA B 395 4.474 -20.108 -4.018 1.00 0.00 C ATOM 1544 C ALA B 395 5.572 -20.939 -3.362 1.00 0.00 C ATOM 1545 O ALA B 395 5.297 -21.922 -2.674 1.00 0.00 O ATOM 1546 CB ALA B 395 3.515 -21.011 -4.774 1.00 0.00 C ATOM 0 H ALA B 395 5.041 -19.342 -5.888 1.00 0.00 H new ATOM 0 HA ALA B 395 3.919 -19.592 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA B 395 3.108 -21.760 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA B 395 2.701 -20.414 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA B 395 4.046 -21.508 -5.586 1.00 0.00 H new ATOM 1552 N VAL B 396 6.816 -20.520 -3.558 1.00 0.00 N ATOM 1553 CA VAL B 396 7.961 -21.196 -2.970 1.00 0.00 C ATOM 1554 C VAL B 396 8.840 -20.183 -2.256 1.00 0.00 C ATOM 1555 O VAL B 396 9.984 -20.465 -1.898 1.00 0.00 O ATOM 1556 CB VAL B 396 8.797 -21.945 -4.027 1.00 0.00 C ATOM 1557 CG1 VAL B 396 7.905 -22.807 -4.906 1.00 0.00 C ATOM 1558 CG2 VAL B 396 9.599 -20.964 -4.869 1.00 0.00 C ATOM 0 H VAL B 396 7.057 -19.707 -4.125 1.00 0.00 H new ATOM 0 HA VAL B 396 7.581 -21.933 -2.263 1.00 0.00 H new ATOM 0 HB VAL B 396 9.497 -22.600 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL B 396 8.515 -23.327 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL B 396 7.382 -23.537 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL B 396 7.177 -22.176 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL B 396 10.182 -21.512 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL B 396 8.919 -20.280 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL B 396 10.271 -20.396 -4.225 1.00 0.00 H new ATOM 1568 N ASP B 397 8.283 -18.993 -2.059 1.00 0.00 N ATOM 1569 CA ASP B 397 8.983 -17.907 -1.393 1.00 0.00 C ATOM 1570 C ASP B 397 8.283 -16.577 -1.665 1.00 0.00 C ATOM 1571 O ASP B 397 8.857 -15.675 -2.274 1.00 0.00 O ATOM 1572 CB ASP B 397 10.439 -17.841 -1.861 1.00 0.00 C ATOM 1573 CG ASP B 397 10.571 -17.935 -3.368 1.00 0.00 C ATOM 1574 OD1 ASP B 397 9.556 -17.730 -4.065 1.00 0.00 O ATOM 1575 OD2 ASP B 397 11.688 -18.213 -3.851 1.00 0.00 O ATOM 0 H ASP B 397 7.336 -18.757 -2.356 1.00 0.00 H new ATOM 0 HA ASP B 397 8.970 -18.097 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP B 397 10.885 -16.907 -1.518 1.00 0.00 H new ATOM 0 HB3 ASP B 397 11.002 -18.652 -1.399 1.00 0.00 H new ATOM 1580 N PRO B 398 7.027 -16.444 -1.206 1.00 0.00 N ATOM 1581 CA PRO B 398 6.240 -15.224 -1.389 1.00 0.00 C ATOM 1582 C PRO B 398 7.086 -13.969 -1.226 1.00 0.00 C ATOM 1583 O PRO B 398 7.079 -13.087 -2.080 1.00 0.00 O ATOM 1584 CB PRO B 398 5.207 -15.327 -0.271 1.00 0.00 C ATOM 1585 CG PRO B 398 4.978 -16.793 -0.109 1.00 0.00 C ATOM 1586 CD PRO B 398 6.280 -17.473 -0.458 1.00 0.00 C ATOM 0 HA PRO B 398 5.809 -15.145 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO B 398 5.575 -14.878 0.652 1.00 0.00 H new ATOM 0 HB3 PRO B 398 4.285 -14.808 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO B 398 4.680 -17.028 0.913 1.00 0.00 H new ATOM 0 HG3 PRO B 398 4.175 -17.134 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO B 398 6.819 -17.788 0.436 1.00 0.00 H new ATOM 0 HD3 PRO B 398 6.116 -18.366 -1.062 1.00 0.00 H new ATOM 1594 N ASN B 399 7.808 -13.919 -0.113 1.00 0.00 N ATOM 1595 CA ASN B 399 8.691 -12.799 0.235 1.00 0.00 C ATOM 1596 C ASN B 399 8.812 -11.782 -0.895 1.00 0.00 C ATOM 1597 O ASN B 399 9.194 -12.125 -2.015 1.00 0.00 O ATOM 1598 CB ASN B 399 10.079 -13.320 0.610 1.00 0.00 C ATOM 1599 CG ASN B 399 10.081 -14.048 1.940 1.00 0.00 C ATOM 1600 OD1 ASN B 399 9.662 -15.202 2.031 1.00 0.00 O ATOM 1601 ND2 ASN B 399 10.554 -13.373 2.982 1.00 0.00 N ATOM 0 H ASN B 399 7.801 -14.662 0.586 1.00 0.00 H new ATOM 0 HA ASN B 399 8.242 -12.290 1.088 1.00 0.00 H new ATOM 0 HB2 ASN B 399 10.435 -13.993 -0.170 1.00 0.00 H new ATOM 0 HB3 ASN B 399 10.778 -12.485 0.654 1.00 0.00 H new ATOM 0 HD21 ASN B 399 10.580 -13.810 3.903 1.00 0.00 H new ATOM 0 HD22 ASN B 399 10.891 -12.418 2.861 1.00 0.00 H new ATOM 1608 N SER B 400 8.485 -10.531 -0.595 1.00 0.00 N ATOM 1609 CA SER B 400 8.556 -9.463 -1.582 1.00 0.00 C ATOM 1610 C SER B 400 9.089 -8.183 -0.949 1.00 0.00 C ATOM 1611 O SER B 400 8.716 -7.830 0.171 1.00 0.00 O ATOM 1612 CB SER B 400 7.173 -9.212 -2.186 1.00 0.00 C ATOM 1613 OG SER B 400 6.992 -7.842 -2.499 1.00 0.00 O ATOM 0 H SER B 400 8.167 -10.232 0.327 1.00 0.00 H new ATOM 0 HA SER B 400 9.240 -9.769 -2.374 1.00 0.00 H new ATOM 0 HB2 SER B 400 7.052 -9.813 -3.087 1.00 0.00 H new ATOM 0 HB3 SER B 400 6.403 -9.532 -1.484 1.00 0.00 H new ATOM 0 HG SER B 400 6.101 -7.710 -2.885 1.00 0.00 H new ATOM 1619 N ILE B 401 9.970 -7.492 -1.666 1.00 0.00 N ATOM 1620 CA ILE B 401 10.554 -6.258 -1.169 1.00 0.00 C ATOM 1621 C ILE B 401 10.118 -5.063 -2.012 1.00 0.00 C ATOM 1622 O ILE B 401 9.994 -5.160 -3.233 1.00 0.00 O ATOM 1623 CB ILE B 401 12.090 -6.347 -1.145 1.00 0.00 C ATOM 1624 CG1 ILE B 401 12.705 -5.015 -0.716 1.00 0.00 C ATOM 1625 CG2 ILE B 401 12.616 -6.769 -2.503 1.00 0.00 C ATOM 1626 CD1 ILE B 401 13.345 -5.057 0.653 1.00 0.00 C ATOM 0 H ILE B 401 10.293 -7.769 -2.593 1.00 0.00 H new ATOM 0 HA ILE B 401 10.194 -6.114 -0.150 1.00 0.00 H new ATOM 0 HB ILE B 401 12.379 -7.102 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE B 401 13.455 -4.717 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE B 401 11.931 -4.248 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE B 401 13.704 -6.827 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE B 401 12.208 -7.746 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE B 401 12.315 -6.038 -3.253 1.00 0.00 H new ATOM 0 HD11 ILE B 401 13.760 -4.078 0.891 1.00 0.00 H new ATOM 0 HD12 ILE B 401 12.595 -5.323 1.397 1.00 0.00 H new ATOM 0 HD13 ILE B 401 14.142 -5.800 0.659 1.00 0.00 H new ATOM 1638 N VAL B 402 9.876 -3.941 -1.343 1.00 0.00 N ATOM 1639 CA VAL B 402 9.435 -2.720 -2.004 1.00 0.00 C ATOM 1640 C VAL B 402 10.545 -1.676 -2.035 1.00 0.00 C ATOM 1641 O VAL B 402 11.409 -1.647 -1.153 1.00 0.00 O ATOM 1642 CB VAL B 402 8.206 -2.123 -1.288 1.00 0.00 C ATOM 1643 CG1 VAL B 402 7.254 -1.485 -2.285 1.00 0.00 C ATOM 1644 CG2 VAL B 402 7.496 -3.197 -0.480 1.00 0.00 C ATOM 0 H VAL B 402 9.980 -3.853 -0.332 1.00 0.00 H new ATOM 0 HA VAL B 402 9.168 -2.986 -3.027 1.00 0.00 H new ATOM 0 HB VAL B 402 8.550 -1.344 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL B 402 6.396 -1.072 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL B 402 7.769 -0.687 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL B 402 6.913 -2.238 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL B 402 6.630 -2.763 0.021 1.00 0.00 H new ATOM 0 HG22 VAL B 402 7.168 -3.996 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL B 402 8.180 -3.604 0.265 1.00 0.00 H new ATOM 1654 N GLU B 403 10.497 -0.806 -3.043 1.00 0.00 N ATOM 1655 CA GLU B 403 11.480 0.261 -3.186 1.00 0.00 C ATOM 1656 C GLU B 403 10.808 1.617 -3.043 1.00 0.00 C ATOM 1657 O GLU B 403 10.220 2.136 -3.992 1.00 0.00 O ATOM 1658 CB GLU B 403 12.181 0.165 -4.541 1.00 0.00 C ATOM 1659 CG GLU B 403 13.592 -0.390 -4.453 1.00 0.00 C ATOM 1660 CD GLU B 403 13.615 -1.897 -4.283 1.00 0.00 C ATOM 1661 OE1 GLU B 403 12.839 -2.413 -3.451 1.00 0.00 O ATOM 1662 OE2 GLU B 403 14.408 -2.562 -4.982 1.00 0.00 O ATOM 0 H GLU B 403 9.785 -0.821 -3.773 1.00 0.00 H new ATOM 0 HA GLU B 403 12.226 0.151 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU B 403 11.590 -0.468 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU B 403 12.216 1.156 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU B 403 14.141 -0.121 -5.355 1.00 0.00 H new ATOM 0 HG3 GLU B 403 14.110 0.075 -3.614 1.00 0.00 H new ATOM 1669 N CYS B 404 10.911 2.192 -1.853 1.00 0.00 N ATOM 1670 CA CYS B 404 10.324 3.497 -1.592 1.00 0.00 C ATOM 1671 C CYS B 404 11.219 4.577 -2.174 1.00 0.00 C ATOM 1672 O CYS B 404 12.156 5.039 -1.519 1.00 0.00 O ATOM 1673 CB CYS B 404 10.133 3.725 -0.091 1.00 0.00 C ATOM 1674 SG CYS B 404 10.057 2.207 0.891 1.00 0.00 S ATOM 0 H CYS B 404 11.394 1.777 -1.056 1.00 0.00 H new ATOM 0 HA CYS B 404 9.343 3.539 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS B 404 10.953 4.341 0.278 1.00 0.00 H new ATOM 0 HB3 CYS B 404 9.214 4.290 0.064 1.00 0.00 H new ATOM 0 HG CYS B 404 9.540 2.468 2.055 1.00 0.00 H new ATOM 1680 N ARG B 405 10.937 4.965 -3.414 1.00 0.00 N ATOM 1681 CA ARG B 405 11.733 5.979 -4.082 1.00 0.00 C ATOM 1682 C ARG B 405 10.858 6.943 -4.876 1.00 0.00 C ATOM 1683 O ARG B 405 9.741 6.608 -5.250 1.00 0.00 O ATOM 1684 CB ARG B 405 12.753 5.314 -5.010 1.00 0.00 C ATOM 1685 CG ARG B 405 12.203 5.010 -6.396 1.00 0.00 C ATOM 1686 CD ARG B 405 13.285 4.469 -7.316 1.00 0.00 C ATOM 1687 NE ARG B 405 14.150 3.511 -6.636 1.00 0.00 N ATOM 1688 CZ ARG B 405 15.349 3.155 -7.085 1.00 0.00 C ATOM 1689 NH1 ARG B 405 15.821 3.685 -8.205 1.00 0.00 N ATOM 1690 NH2 ARG B 405 16.075 2.272 -6.415 1.00 0.00 N ATOM 0 H ARG B 405 10.167 4.593 -3.971 1.00 0.00 H new ATOM 0 HA ARG B 405 12.256 6.553 -3.317 1.00 0.00 H new ATOM 0 HB2 ARG B 405 13.622 5.964 -5.107 1.00 0.00 H new ATOM 0 HB3 ARG B 405 13.098 4.387 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG B 405 11.394 4.284 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG B 405 11.777 5.916 -6.827 1.00 0.00 H new ATOM 0 HD2 ARG B 405 12.822 3.991 -8.179 1.00 0.00 H new ATOM 0 HD3 ARG B 405 13.886 5.296 -7.694 1.00 0.00 H new ATOM 0 HE ARG B 405 13.816 3.091 -5.768 1.00 0.00 H new ATOM 0 HH11 ARG B 405 15.264 4.366 -8.721 1.00 0.00 H new ATOM 0 HH12 ARG B 405 16.741 3.412 -8.550 1.00 0.00 H new ATOM 0 HH21 ARG B 405 15.714 1.864 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG B 405 16.995 2.000 -6.762 1.00 0.00 H new ATOM 1704 N VAL B 406 11.385 8.136 -5.132 1.00 0.00 N ATOM 1705 CA VAL B 406 10.668 9.155 -5.885 1.00 0.00 C ATOM 1706 C VAL B 406 11.636 10.030 -6.669 1.00 0.00 C ATOM 1707 O VAL B 406 12.823 10.107 -6.343 1.00 0.00 O ATOM 1708 CB VAL B 406 9.829 10.053 -4.959 1.00 0.00 C ATOM 1709 CG1 VAL B 406 9.096 9.216 -3.935 1.00 0.00 C ATOM 1710 CG2 VAL B 406 10.705 11.085 -4.269 1.00 0.00 C ATOM 0 H VAL B 406 12.315 8.421 -4.825 1.00 0.00 H new ATOM 0 HA VAL B 406 10.004 8.633 -6.573 1.00 0.00 H new ATOM 0 HB VAL B 406 9.095 10.580 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL B 406 8.507 9.866 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL B 406 8.434 8.515 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL B 406 9.817 8.662 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL B 406 10.090 11.708 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL B 406 11.464 10.578 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL B 406 11.190 11.710 -5.019 1.00 0.00 H new ATOM 1720 N GLY B 407 11.126 10.687 -7.701 1.00 0.00 N ATOM 1721 CA GLY B 407 11.962 11.548 -8.508 1.00 0.00 C ATOM 1722 C GLY B 407 12.903 10.775 -9.412 1.00 0.00 C ATOM 1723 O GLY B 407 13.656 11.366 -10.186 1.00 0.00 O ATOM 0 H GLY B 407 10.150 10.639 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY B 407 11.329 12.194 -9.117 1.00 0.00 H new ATOM 0 HA3 GLY B 407 12.545 12.197 -7.854 1.00 0.00 H new ATOM 1727 N ASP B 408 12.857 9.449 -9.318 1.00 0.00 N ATOM 1728 CA ASP B 408 13.706 8.592 -10.135 1.00 0.00 C ATOM 1729 C ASP B 408 15.139 8.572 -9.611 1.00 0.00 C ATOM 1730 O ASP B 408 16.034 8.022 -10.251 1.00 0.00 O ATOM 1731 CB ASP B 408 13.685 9.064 -11.588 1.00 0.00 C ATOM 1732 CG ASP B 408 13.909 7.929 -12.568 1.00 0.00 C ATOM 1733 OD1 ASP B 408 14.047 6.772 -12.114 1.00 0.00 O ATOM 1734 OD2 ASP B 408 13.948 8.194 -13.787 1.00 0.00 O ATOM 0 H ASP B 408 12.239 8.945 -8.682 1.00 0.00 H new ATOM 0 HA ASP B 408 13.313 7.577 -10.081 1.00 0.00 H new ATOM 0 HB2 ASP B 408 12.727 9.539 -11.799 1.00 0.00 H new ATOM 0 HB3 ASP B 408 14.455 9.822 -11.732 1.00 0.00 H new ATOM 1739 N GLY B 409 15.351 9.174 -8.444 1.00 0.00 N ATOM 1740 CA GLY B 409 16.681 9.206 -7.862 1.00 0.00 C ATOM 1741 C GLY B 409 16.664 9.428 -6.359 1.00 0.00 C ATOM 1742 O GLY B 409 17.680 9.797 -5.771 1.00 0.00 O ATOM 0 H GLY B 409 14.629 9.638 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY B 409 17.190 8.267 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY B 409 17.260 9.999 -8.335 1.00 0.00 H new ATOM 1746 N THR B 410 15.510 9.202 -5.738 1.00 0.00 N ATOM 1747 CA THR B 410 15.370 9.380 -4.296 1.00 0.00 C ATOM 1748 C THR B 410 14.756 8.144 -3.649 1.00 0.00 C ATOM 1749 O THR B 410 13.667 7.736 -4.015 1.00 0.00 O ATOM 1750 CB THR B 410 14.484 10.597 -3.971 1.00 0.00 C ATOM 1751 OG1 THR B 410 14.452 11.527 -5.061 1.00 0.00 O ATOM 1752 CG2 THR B 410 14.987 11.322 -2.732 1.00 0.00 C ATOM 0 H THR B 410 14.659 8.896 -6.210 1.00 0.00 H new ATOM 0 HA THR B 410 16.371 9.542 -3.896 1.00 0.00 H new ATOM 0 HB THR B 410 13.479 10.216 -3.792 1.00 0.00 H new ATOM 0 HG1 THR B 410 13.724 11.289 -5.673 1.00 0.00 H new ATOM 0 HG21 THR B 410 14.344 12.177 -2.525 1.00 0.00 H new ATOM 0 HG22 THR B 410 14.972 10.641 -1.881 1.00 0.00 H new ATOM 0 HG23 THR B 410 16.007 11.668 -2.902 1.00 0.00 H new ATOM 1760 N VAL B 411 15.459 7.553 -2.687 1.00 0.00 N ATOM 1761 CA VAL B 411 14.962 6.364 -1.994 1.00 0.00 C ATOM 1762 C VAL B 411 14.664 6.675 -0.532 1.00 0.00 C ATOM 1763 O VAL B 411 15.578 6.772 0.287 1.00 0.00 O ATOM 1764 CB VAL B 411 15.976 5.208 -2.055 1.00 0.00 C ATOM 1765 CG1 VAL B 411 15.381 3.945 -1.452 1.00 0.00 C ATOM 1766 CG2 VAL B 411 16.414 4.962 -3.487 1.00 0.00 C ATOM 0 H VAL B 411 16.373 7.876 -2.369 1.00 0.00 H new ATOM 0 HA VAL B 411 14.047 6.061 -2.502 1.00 0.00 H new ATOM 0 HB VAL B 411 16.853 5.486 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL B 411 16.112 3.138 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL B 411 15.116 4.129 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL B 411 14.488 3.662 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL B 411 17.131 4.141 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL B 411 15.546 4.704 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL B 411 16.880 5.863 -3.885 1.00 0.00 H new ATOM 1776 N LEU B 412 13.384 6.823 -0.204 1.00 0.00 N ATOM 1777 CA LEU B 412 12.989 7.112 1.167 1.00 0.00 C ATOM 1778 C LEU B 412 13.280 5.914 2.056 1.00 0.00 C ATOM 1779 O LEU B 412 13.467 6.053 3.265 1.00 0.00 O ATOM 1780 CB LEU B 412 11.502 7.469 1.251 1.00 0.00 C ATOM 1781 CG LEU B 412 10.955 8.265 0.066 1.00 0.00 C ATOM 1782 CD1 LEU B 412 12.042 9.145 -0.533 1.00 0.00 C ATOM 1783 CD2 LEU B 412 10.384 7.327 -0.987 1.00 0.00 C ATOM 0 H LEU B 412 12.610 6.748 -0.864 1.00 0.00 H new ATOM 0 HA LEU B 412 13.567 7.970 1.511 1.00 0.00 H new ATOM 0 HB2 LEU B 412 10.928 6.547 1.344 1.00 0.00 H new ATOM 0 HB3 LEU B 412 11.334 8.043 2.162 1.00 0.00 H new ATOM 0 HG LEU B 412 10.152 8.909 0.424 1.00 0.00 H new ATOM 0 HD11 LEU B 412 11.634 9.704 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU B 412 12.405 9.841 0.223 1.00 0.00 H new ATOM 0 HD13 LEU B 412 12.867 8.521 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU B 412 9.999 7.910 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU B 412 11.168 6.658 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU B 412 9.575 6.740 -0.551 1.00 0.00 H new ATOM 1795 N GLY B 413 13.314 4.731 1.448 1.00 0.00 N ATOM 1796 CA GLY B 413 13.582 3.526 2.207 1.00 0.00 C ATOM 1797 C GLY B 413 13.244 2.261 1.442 1.00 0.00 C ATOM 1798 O GLY B 413 13.051 2.291 0.226 1.00 0.00 O ATOM 0 H GLY B 413 13.162 4.588 0.450 1.00 0.00 H new ATOM 0 HA2 GLY B 413 14.635 3.505 2.487 1.00 0.00 H new ATOM 0 HA3 GLY B 413 13.007 3.550 3.133 1.00 0.00 H new ATOM 1802 N THR B 414 13.175 1.149 2.164 1.00 0.00 N ATOM 1803 CA THR B 414 12.864 -0.141 1.558 1.00 0.00 C ATOM 1804 C THR B 414 12.157 -1.049 2.556 1.00 0.00 C ATOM 1805 O THR B 414 12.274 -0.862 3.767 1.00 0.00 O ATOM 1806 CB THR B 414 14.138 -0.847 1.053 1.00 0.00 C ATOM 1807 OG1 THR B 414 15.200 0.090 0.831 1.00 0.00 O ATOM 1808 CG2 THR B 414 13.869 -1.588 -0.247 1.00 0.00 C ATOM 0 H THR B 414 13.330 1.114 3.171 1.00 0.00 H new ATOM 0 HA THR B 414 12.207 0.053 0.710 1.00 0.00 H new ATOM 0 HB THR B 414 14.436 -1.555 1.827 1.00 0.00 H new ATOM 0 HG1 THR B 414 15.995 -0.386 0.513 1.00 0.00 H new ATOM 0 HG21 THR B 414 14.783 -2.078 -0.583 1.00 0.00 H new ATOM 0 HG22 THR B 414 13.094 -2.338 -0.085 1.00 0.00 H new ATOM 0 HG23 THR B 414 13.536 -0.881 -1.007 1.00 0.00 H new ATOM 1816 N GLY B 415 11.420 -2.031 2.046 1.00 0.00 N ATOM 1817 CA GLY B 415 10.709 -2.940 2.928 1.00 0.00 C ATOM 1818 C GLY B 415 10.545 -4.331 2.347 1.00 0.00 C ATOM 1819 O GLY B 415 10.509 -4.503 1.134 1.00 0.00 O ATOM 0 H GLY B 415 11.303 -2.213 1.049 1.00 0.00 H new ATOM 0 HA2 GLY B 415 11.244 -3.010 3.875 1.00 0.00 H new ATOM 0 HA3 GLY B 415 9.725 -2.527 3.148 1.00 0.00 H new ATOM 1823 N VAL B 416 10.449 -5.325 3.222 1.00 0.00 N ATOM 1824 CA VAL B 416 10.288 -6.710 2.797 1.00 0.00 C ATOM 1825 C VAL B 416 9.324 -7.455 3.720 1.00 0.00 C ATOM 1826 O VAL B 416 9.218 -7.137 4.905 1.00 0.00 O ATOM 1827 CB VAL B 416 11.644 -7.445 2.773 1.00 0.00 C ATOM 1828 CG1 VAL B 416 12.035 -7.910 4.169 1.00 0.00 C ATOM 1829 CG2 VAL B 416 11.599 -8.616 1.803 1.00 0.00 C ATOM 0 H VAL B 416 10.480 -5.197 4.233 1.00 0.00 H new ATOM 0 HA VAL B 416 9.876 -6.694 1.788 1.00 0.00 H new ATOM 0 HB VAL B 416 12.406 -6.745 2.428 1.00 0.00 H new ATOM 0 HG11 VAL B 416 12.995 -8.425 4.125 1.00 0.00 H new ATOM 0 HG12 VAL B 416 12.116 -7.047 4.830 1.00 0.00 H new ATOM 0 HG13 VAL B 416 11.275 -8.591 4.552 1.00 0.00 H new ATOM 0 HG21 VAL B 416 12.564 -9.123 1.799 1.00 0.00 H new ATOM 0 HG22 VAL B 416 10.823 -9.316 2.113 1.00 0.00 H new ATOM 0 HG23 VAL B 416 11.378 -8.250 0.801 1.00 0.00 H new ATOM 1839 N GLY B 417 8.622 -8.445 3.175 1.00 0.00 N ATOM 1840 CA GLY B 417 7.680 -9.207 3.976 1.00 0.00 C ATOM 1841 C GLY B 417 7.289 -10.522 3.324 1.00 0.00 C ATOM 1842 O GLY B 417 7.469 -10.697 2.122 1.00 0.00 O ATOM 0 H GLY B 417 8.688 -8.732 2.198 1.00 0.00 H new ATOM 0 HA2 GLY B 417 8.118 -9.407 4.954 1.00 0.00 H new ATOM 0 HA3 GLY B 417 6.785 -8.609 4.144 1.00 0.00 H new ATOM 1846 N ARG B 418 6.753 -11.448 4.120 1.00 0.00 N ATOM 1847 CA ARG B 418 6.341 -12.755 3.609 1.00 0.00 C ATOM 1848 C ARG B 418 5.043 -12.655 2.812 1.00 0.00 C ATOM 1849 O ARG B 418 4.917 -13.240 1.737 1.00 0.00 O ATOM 1850 CB ARG B 418 6.168 -13.743 4.764 1.00 0.00 C ATOM 1851 CG ARG B 418 5.326 -13.204 5.908 1.00 0.00 C ATOM 1852 CD ARG B 418 6.084 -13.242 7.225 1.00 0.00 C ATOM 1853 NE ARG B 418 5.324 -13.916 8.274 1.00 0.00 N ATOM 1854 CZ ARG B 418 5.846 -14.292 9.435 1.00 0.00 C ATOM 1855 NH1 ARG B 418 7.128 -14.064 9.695 1.00 0.00 N ATOM 1856 NH2 ARG B 418 5.090 -14.899 10.339 1.00 0.00 N ATOM 0 H ARG B 418 6.594 -11.317 5.119 1.00 0.00 H new ATOM 0 HA ARG B 418 7.123 -13.115 2.941 1.00 0.00 H new ATOM 0 HB2 ARG B 418 5.708 -14.655 4.384 1.00 0.00 H new ATOM 0 HB3 ARG B 418 7.151 -14.017 5.146 1.00 0.00 H new ATOM 0 HG2 ARG B 418 5.027 -12.179 5.689 1.00 0.00 H new ATOM 0 HG3 ARG B 418 4.412 -13.791 5.996 1.00 0.00 H new ATOM 0 HD2 ARG B 418 7.036 -13.754 7.081 1.00 0.00 H new ATOM 0 HD3 ARG B 418 6.314 -12.224 7.541 1.00 0.00 H new ATOM 0 HE ARG B 418 4.337 -14.109 8.105 1.00 0.00 H new ATOM 0 HH11 ARG B 418 7.714 -13.599 9.002 1.00 0.00 H new ATOM 0 HH12 ARG B 418 7.527 -14.354 10.588 1.00 0.00 H new ATOM 0 HH21 ARG B 418 4.105 -15.078 10.143 1.00 0.00 H new ATOM 0 HH22 ARG B 418 5.493 -15.187 11.231 1.00 0.00 H new ATOM 1870 N ASN B 419 4.091 -11.887 3.331 1.00 0.00 N ATOM 1871 CA ASN B 419 2.817 -11.689 2.654 1.00 0.00 C ATOM 1872 C ASN B 419 2.853 -10.375 1.889 1.00 0.00 C ATOM 1873 O ASN B 419 1.820 -9.762 1.641 1.00 0.00 O ATOM 1874 CB ASN B 419 1.663 -11.686 3.658 1.00 0.00 C ATOM 1875 CG ASN B 419 2.064 -11.112 5.002 1.00 0.00 C ATOM 1876 OD1 ASN B 419 3.000 -11.592 5.641 1.00 0.00 O ATOM 1877 ND2 ASN B 419 1.354 -10.078 5.439 1.00 0.00 N ATOM 0 H ASN B 419 4.179 -11.392 4.218 1.00 0.00 H new ATOM 0 HA ASN B 419 2.655 -12.511 1.957 1.00 0.00 H new ATOM 0 HB2 ASN B 419 0.834 -11.106 3.252 1.00 0.00 H new ATOM 0 HB3 ASN B 419 1.302 -12.705 3.795 1.00 0.00 H new ATOM 0 HD21 ASN B 419 1.577 -9.650 6.338 1.00 0.00 H new ATOM 0 HD22 ASN B 419 0.586 -9.712 4.876 1.00 0.00 H new ATOM 1884 N ILE B 420 4.069 -9.990 1.503 1.00 0.00 N ATOM 1885 CA ILE B 420 4.346 -8.770 0.733 1.00 0.00 C ATOM 1886 C ILE B 420 3.775 -7.482 1.348 1.00 0.00 C ATOM 1887 O ILE B 420 4.470 -6.473 1.394 1.00 0.00 O ATOM 1888 CB ILE B 420 3.893 -8.910 -0.728 1.00 0.00 C ATOM 1889 CG1 ILE B 420 2.465 -8.399 -0.942 1.00 0.00 C ATOM 1890 CG2 ILE B 420 4.005 -10.365 -1.155 1.00 0.00 C ATOM 1891 CD1 ILE B 420 2.390 -6.923 -1.262 1.00 0.00 C ATOM 0 H ILE B 420 4.909 -10.526 1.720 1.00 0.00 H new ATOM 0 HA ILE B 420 5.430 -8.664 0.767 1.00 0.00 H new ATOM 0 HB ILE B 420 4.547 -8.293 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE B 420 2.005 -8.962 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE B 420 1.879 -8.598 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE B 420 3.684 -10.466 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE B 420 5.040 -10.693 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE B 420 3.371 -10.981 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE B 420 1.348 -6.633 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE B 420 2.820 -6.350 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE B 420 2.948 -6.720 -2.176 1.00 0.00 H new ATOM 1903 N LYS B 421 2.528 -7.499 1.805 1.00 0.00 N ATOM 1904 CA LYS B 421 1.945 -6.309 2.397 1.00 0.00 C ATOM 1905 C LYS B 421 2.977 -5.699 3.342 1.00 0.00 C ATOM 1906 O LYS B 421 3.374 -4.546 3.178 1.00 0.00 O ATOM 1907 CB LYS B 421 0.637 -6.639 3.112 1.00 0.00 C ATOM 1908 CG LYS B 421 0.323 -5.723 4.274 1.00 0.00 C ATOM 1909 CD LYS B 421 1.104 -6.134 5.499 1.00 0.00 C ATOM 1910 CE LYS B 421 0.319 -5.882 6.776 1.00 0.00 C ATOM 1911 NZ LYS B 421 0.886 -6.628 7.933 1.00 0.00 N ATOM 0 H LYS B 421 1.912 -8.312 1.777 1.00 0.00 H new ATOM 0 HA LYS B 421 1.693 -5.584 1.623 1.00 0.00 H new ATOM 0 HB2 LYS B 421 -0.181 -6.590 2.393 1.00 0.00 H new ATOM 0 HB3 LYS B 421 0.682 -7.666 3.474 1.00 0.00 H new ATOM 0 HG2 LYS B 421 0.566 -4.694 4.009 1.00 0.00 H new ATOM 0 HG3 LYS B 421 -0.745 -5.753 4.490 1.00 0.00 H new ATOM 0 HD2 LYS B 421 1.358 -7.192 5.431 1.00 0.00 H new ATOM 0 HD3 LYS B 421 2.043 -5.582 5.534 1.00 0.00 H new ATOM 0 HE2 LYS B 421 0.319 -4.815 6.997 1.00 0.00 H new ATOM 0 HE3 LYS B 421 -0.720 -6.177 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 421 0.322 -6.429 8.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 421 0.863 -7.648 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 421 1.869 -6.328 8.091 1.00 0.00 H new ATOM 1925 N ILE B 422 3.437 -6.494 4.314 1.00 0.00 N ATOM 1926 CA ILE B 422 4.457 -6.023 5.256 1.00 0.00 C ATOM 1927 C ILE B 422 5.566 -5.329 4.496 1.00 0.00 C ATOM 1928 O ILE B 422 6.238 -4.454 5.022 1.00 0.00 O ATOM 1929 CB ILE B 422 5.111 -7.152 6.082 1.00 0.00 C ATOM 1930 CG1 ILE B 422 4.341 -8.461 5.944 1.00 0.00 C ATOM 1931 CG2 ILE B 422 5.232 -6.735 7.538 1.00 0.00 C ATOM 1932 CD1 ILE B 422 4.570 -9.137 4.611 1.00 0.00 C ATOM 0 H ILE B 422 3.125 -7.453 4.468 1.00 0.00 H new ATOM 0 HA ILE B 422 3.938 -5.354 5.943 1.00 0.00 H new ATOM 0 HB ILE B 422 6.113 -7.326 5.689 1.00 0.00 H new ATOM 0 HG12 ILE B 422 4.637 -9.138 6.745 1.00 0.00 H new ATOM 0 HG13 ILE B 422 3.276 -8.266 6.069 1.00 0.00 H new ATOM 0 HG21 ILE B 422 5.695 -7.540 8.110 1.00 0.00 H new ATOM 0 HG22 ILE B 422 5.848 -5.838 7.610 1.00 0.00 H new ATOM 0 HG23 ILE B 422 4.241 -6.527 7.941 1.00 0.00 H new ATOM 0 HD11 ILE B 422 3.997 -10.063 4.570 1.00 0.00 H new ATOM 0 HD12 ILE B 422 4.248 -8.475 3.807 1.00 0.00 H new ATOM 0 HD13 ILE B 422 5.630 -9.361 4.494 1.00 0.00 H new ATOM 1944 N ALA B 423 5.705 -5.704 3.233 1.00 0.00 N ATOM 1945 CA ALA B 423 6.683 -5.094 2.363 1.00 0.00 C ATOM 1946 C ALA B 423 6.121 -3.768 1.884 1.00 0.00 C ATOM 1947 O ALA B 423 6.778 -2.730 1.970 1.00 0.00 O ATOM 1948 CB ALA B 423 7.020 -6.008 1.198 1.00 0.00 C ATOM 0 H ALA B 423 5.146 -6.434 2.791 1.00 0.00 H new ATOM 0 HA ALA B 423 7.614 -4.924 2.904 1.00 0.00 H new ATOM 0 HB1 ALA B 423 7.759 -5.525 0.558 1.00 0.00 H new ATOM 0 HB2 ALA B 423 7.426 -6.946 1.577 1.00 0.00 H new ATOM 0 HB3 ALA B 423 6.117 -6.210 0.621 1.00 0.00 H new ATOM 1954 N GLY B 424 4.876 -3.807 1.413 1.00 0.00 N ATOM 1955 CA GLY B 424 4.219 -2.596 0.966 1.00 0.00 C ATOM 1956 C GLY B 424 4.156 -1.589 2.090 1.00 0.00 C ATOM 1957 O GLY B 424 4.615 -0.453 1.952 1.00 0.00 O ATOM 0 H GLY B 424 4.314 -4.655 1.334 1.00 0.00 H new ATOM 0 HA2 GLY B 424 4.759 -2.173 0.119 1.00 0.00 H new ATOM 0 HA3 GLY B 424 3.212 -2.827 0.619 1.00 0.00 H new ATOM 1961 N ILE B 425 3.628 -2.029 3.229 1.00 0.00 N ATOM 1962 CA ILE B 425 3.558 -1.171 4.401 1.00 0.00 C ATOM 1963 C ILE B 425 4.967 -0.724 4.764 1.00 0.00 C ATOM 1964 O ILE B 425 5.315 0.450 4.637 1.00 0.00 O ATOM 1965 CB ILE B 425 2.926 -1.897 5.605 1.00 0.00 C ATOM 1966 CG1 ILE B 425 1.747 -2.756 5.149 1.00 0.00 C ATOM 1967 CG2 ILE B 425 2.482 -0.892 6.658 1.00 0.00 C ATOM 1968 CD1 ILE B 425 0.864 -2.073 4.128 1.00 0.00 C ATOM 0 H ILE B 425 3.247 -2.966 3.362 1.00 0.00 H new ATOM 0 HA ILE B 425 2.928 -0.314 4.162 1.00 0.00 H new ATOM 0 HB ILE B 425 3.676 -2.551 6.050 1.00 0.00 H new ATOM 0 HG12 ILE B 425 2.127 -3.686 4.725 1.00 0.00 H new ATOM 0 HG13 ILE B 425 1.145 -3.024 6.017 1.00 0.00 H new ATOM 0 HG21 ILE B 425 2.038 -1.421 7.501 1.00 0.00 H new ATOM 0 HG22 ILE B 425 3.344 -0.320 7.001 1.00 0.00 H new ATOM 0 HG23 ILE B 425 1.746 -0.214 6.226 1.00 0.00 H new ATOM 0 HD11 ILE B 425 0.048 -2.739 3.849 1.00 0.00 H new ATOM 0 HD12 ILE B 425 0.455 -1.157 4.555 1.00 0.00 H new ATOM 0 HD13 ILE B 425 1.452 -1.829 3.243 1.00 0.00 H new ATOM 1980 N ARG B 426 5.778 -1.683 5.197 1.00 0.00 N ATOM 1981 CA ARG B 426 7.163 -1.415 5.561 1.00 0.00 C ATOM 1982 C ARG B 426 7.759 -0.361 4.631 1.00 0.00 C ATOM 1983 O ARG B 426 8.592 0.450 5.041 1.00 0.00 O ATOM 1984 CB ARG B 426 7.980 -2.706 5.484 1.00 0.00 C ATOM 1985 CG ARG B 426 9.476 -2.498 5.619 1.00 0.00 C ATOM 1986 CD ARG B 426 9.890 -2.378 7.075 1.00 0.00 C ATOM 1987 NE ARG B 426 11.254 -2.854 7.296 1.00 0.00 N ATOM 1988 CZ ARG B 426 12.045 -2.407 8.267 1.00 0.00 C ATOM 1989 NH1 ARG B 426 11.608 -1.479 9.109 1.00 0.00 N ATOM 1990 NH2 ARG B 426 13.273 -2.888 8.398 1.00 0.00 N ATOM 0 H ARG B 426 5.497 -2.658 5.305 1.00 0.00 H new ATOM 0 HA ARG B 426 7.192 -1.036 6.582 1.00 0.00 H new ATOM 0 HB2 ARG B 426 7.645 -3.383 6.270 1.00 0.00 H new ATOM 0 HB3 ARG B 426 7.776 -3.197 4.532 1.00 0.00 H new ATOM 0 HG2 ARG B 426 10.004 -3.332 5.157 1.00 0.00 H new ATOM 0 HG3 ARG B 426 9.770 -1.597 5.080 1.00 0.00 H new ATOM 0 HD2 ARG B 426 9.814 -1.337 7.389 1.00 0.00 H new ATOM 0 HD3 ARG B 426 9.201 -2.950 7.696 1.00 0.00 H new ATOM 0 HE ARG B 426 11.620 -3.570 6.669 1.00 0.00 H new ATOM 0 HH11 ARG B 426 10.663 -1.107 9.012 1.00 0.00 H new ATOM 0 HH12 ARG B 426 12.217 -1.138 9.853 1.00 0.00 H new ATOM 0 HH21 ARG B 426 13.612 -3.602 7.754 1.00 0.00 H new ATOM 0 HH22 ARG B 426 13.879 -2.544 9.143 1.00 0.00 H new ATOM 2004 N ALA B 427 7.298 -0.360 3.382 1.00 0.00 N ATOM 2005 CA ALA B 427 7.758 0.611 2.402 1.00 0.00 C ATOM 2006 C ALA B 427 7.338 2.007 2.837 1.00 0.00 C ATOM 2007 O ALA B 427 8.167 2.907 2.985 1.00 0.00 O ATOM 2008 CB ALA B 427 7.210 0.291 1.021 1.00 0.00 C ATOM 0 H ALA B 427 6.607 -1.022 3.029 1.00 0.00 H new ATOM 0 HA ALA B 427 8.846 0.566 2.344 1.00 0.00 H new ATOM 0 HB1 ALA B 427 7.569 1.032 0.307 1.00 0.00 H new ATOM 0 HB2 ALA B 427 7.547 -0.700 0.716 1.00 0.00 H new ATOM 0 HB3 ALA B 427 6.121 0.311 1.048 1.00 0.00 H new ATOM 2014 N ALA B 428 6.042 2.172 3.065 1.00 0.00 N ATOM 2015 CA ALA B 428 5.517 3.451 3.515 1.00 0.00 C ATOM 2016 C ALA B 428 6.217 3.861 4.805 1.00 0.00 C ATOM 2017 O ALA B 428 6.813 4.937 4.887 1.00 0.00 O ATOM 2018 CB ALA B 428 4.011 3.382 3.725 1.00 0.00 C ATOM 0 H ALA B 428 5.340 1.441 2.946 1.00 0.00 H new ATOM 0 HA ALA B 428 5.710 4.199 2.746 1.00 0.00 H new ATOM 0 HB1 ALA B 428 3.646 4.352 4.061 1.00 0.00 H new ATOM 0 HB2 ALA B 428 3.525 3.117 2.786 1.00 0.00 H new ATOM 0 HB3 ALA B 428 3.783 2.628 4.478 1.00 0.00 H new ATOM 2024 N GLU B 429 6.156 2.979 5.802 1.00 0.00 N ATOM 2025 CA GLU B 429 6.794 3.223 7.091 1.00 0.00 C ATOM 2026 C GLU B 429 8.265 3.566 6.900 1.00 0.00 C ATOM 2027 O GLU B 429 8.886 4.188 7.762 1.00 0.00 O ATOM 2028 CB GLU B 429 6.657 1.998 7.997 1.00 0.00 C ATOM 2029 CG GLU B 429 6.284 2.342 9.430 1.00 0.00 C ATOM 2030 CD GLU B 429 7.493 2.657 10.289 1.00 0.00 C ATOM 2031 OE1 GLU B 429 8.617 2.688 9.744 1.00 0.00 O ATOM 2032 OE2 GLU B 429 7.316 2.873 11.506 1.00 0.00 O ATOM 0 H GLU B 429 5.668 2.085 5.739 1.00 0.00 H new ATOM 0 HA GLU B 429 6.294 4.068 7.565 1.00 0.00 H new ATOM 0 HB2 GLU B 429 5.900 1.332 7.583 1.00 0.00 H new ATOM 0 HB3 GLU B 429 7.599 1.449 7.997 1.00 0.00 H new ATOM 0 HG2 GLU B 429 5.610 3.199 9.430 1.00 0.00 H new ATOM 0 HG3 GLU B 429 5.738 1.507 9.870 1.00 0.00 H new ATOM 2039 N ASN B 430 8.811 3.172 5.756 1.00 0.00 N ATOM 2040 CA ASN B 430 10.203 3.457 5.444 1.00 0.00 C ATOM 2041 C ASN B 430 10.367 4.923 5.050 1.00 0.00 C ATOM 2042 O ASN B 430 11.336 5.575 5.440 1.00 0.00 O ATOM 2043 CB ASN B 430 10.696 2.546 4.322 1.00 0.00 C ATOM 2044 CG ASN B 430 11.635 1.472 4.831 1.00 0.00 C ATOM 2045 OD1 ASN B 430 12.840 1.517 4.587 1.00 0.00 O ATOM 2046 ND2 ASN B 430 11.084 0.501 5.547 1.00 0.00 N ATOM 0 H ASN B 430 8.311 2.656 5.032 1.00 0.00 H new ATOM 0 HA ASN B 430 10.804 3.266 6.333 1.00 0.00 H new ATOM 0 HB2 ASN B 430 9.841 2.078 3.834 1.00 0.00 H new ATOM 0 HB3 ASN B 430 11.206 3.145 3.567 1.00 0.00 H new ATOM 0 HD21 ASN B 430 11.665 -0.250 5.921 1.00 0.00 H new ATOM 0 HD22 ASN B 430 10.079 0.505 5.724 1.00 0.00 H new ATOM 2053 N ALA B 431 9.421 5.435 4.262 1.00 0.00 N ATOM 2054 CA ALA B 431 9.474 6.819 3.804 1.00 0.00 C ATOM 2055 C ALA B 431 9.288 7.803 4.955 1.00 0.00 C ATOM 2056 O ALA B 431 9.926 8.855 4.987 1.00 0.00 O ATOM 2057 CB ALA B 431 8.436 7.078 2.722 1.00 0.00 C ATOM 0 H ALA B 431 8.611 4.911 3.929 1.00 0.00 H new ATOM 0 HA ALA B 431 10.467 6.977 3.382 1.00 0.00 H new ATOM 0 HB1 ALA B 431 8.498 8.117 2.399 1.00 0.00 H new ATOM 0 HB2 ALA B 431 8.625 6.422 1.872 1.00 0.00 H new ATOM 0 HB3 ALA B 431 7.440 6.880 3.118 1.00 0.00 H new ATOM 2063 N LEU B 432 8.415 7.464 5.898 1.00 0.00 N ATOM 2064 CA LEU B 432 8.165 8.338 7.040 1.00 0.00 C ATOM 2065 C LEU B 432 9.200 8.119 8.135 1.00 0.00 C ATOM 2066 O LEU B 432 9.056 8.627 9.247 1.00 0.00 O ATOM 2067 CB LEU B 432 6.759 8.124 7.607 1.00 0.00 C ATOM 2068 CG LEU B 432 6.418 6.688 8.006 1.00 0.00 C ATOM 2069 CD1 LEU B 432 6.056 6.615 9.482 1.00 0.00 C ATOM 2070 CD2 LEU B 432 5.270 6.165 7.164 1.00 0.00 C ATOM 0 H LEU B 432 7.873 6.600 5.896 1.00 0.00 H new ATOM 0 HA LEU B 432 8.243 9.365 6.683 1.00 0.00 H new ATOM 0 HB2 LEU B 432 6.638 8.763 8.482 1.00 0.00 H new ATOM 0 HB3 LEU B 432 6.033 8.458 6.866 1.00 0.00 H new ATOM 0 HG LEU B 432 7.296 6.066 7.831 1.00 0.00 H new ATOM 0 HD11 LEU B 432 5.816 5.585 9.747 1.00 0.00 H new ATOM 0 HD12 LEU B 432 6.900 6.957 10.081 1.00 0.00 H new ATOM 0 HD13 LEU B 432 5.192 7.250 9.677 1.00 0.00 H new ATOM 0 HD21 LEU B 432 5.039 5.142 7.460 1.00 0.00 H new ATOM 0 HD22 LEU B 432 4.392 6.793 7.315 1.00 0.00 H new ATOM 0 HD23 LEU B 432 5.553 6.183 6.111 1.00 0.00 H new ATOM 2082 N ARG B 433 10.240 7.355 7.821 1.00 0.00 N ATOM 2083 CA ARG B 433 11.286 7.074 8.795 1.00 0.00 C ATOM 2084 C ARG B 433 12.424 8.086 8.692 1.00 0.00 C ATOM 2085 O ARG B 433 13.297 8.136 9.557 1.00 0.00 O ATOM 2086 CB ARG B 433 11.812 5.641 8.618 1.00 0.00 C ATOM 2087 CG ARG B 433 13.143 5.540 7.884 1.00 0.00 C ATOM 2088 CD ARG B 433 13.758 4.156 8.032 1.00 0.00 C ATOM 2089 NE ARG B 433 14.622 4.064 9.205 1.00 0.00 N ATOM 2090 CZ ARG B 433 15.444 3.045 9.436 1.00 0.00 C ATOM 2091 NH1 ARG B 433 15.505 2.031 8.583 1.00 0.00 N ATOM 2092 NH2 ARG B 433 16.204 3.039 10.522 1.00 0.00 N ATOM 0 H ARG B 433 10.380 6.923 6.908 1.00 0.00 H new ATOM 0 HA ARG B 433 10.853 7.164 9.791 1.00 0.00 H new ATOM 0 HB2 ARG B 433 11.919 5.183 9.601 1.00 0.00 H new ATOM 0 HB3 ARG B 433 11.067 5.059 8.075 1.00 0.00 H new ATOM 0 HG2 ARG B 433 12.995 5.762 6.827 1.00 0.00 H new ATOM 0 HG3 ARG B 433 13.832 6.289 8.274 1.00 0.00 H new ATOM 0 HD2 ARG B 433 12.964 3.413 8.107 1.00 0.00 H new ATOM 0 HD3 ARG B 433 14.334 3.918 7.138 1.00 0.00 H new ATOM 0 HE ARG B 433 14.593 4.824 9.885 1.00 0.00 H new ATOM 0 HH11 ARG B 433 14.920 2.032 7.747 1.00 0.00 H new ATOM 0 HH12 ARG B 433 16.137 1.251 8.763 1.00 0.00 H new ATOM 0 HH21 ARG B 433 16.158 3.816 11.181 1.00 0.00 H new ATOM 0 HH22 ARG B 433 16.835 2.257 10.699 1.00 0.00 H new ATOM 2106 N ASP B 434 12.423 8.883 7.625 1.00 0.00 N ATOM 2107 CA ASP B 434 13.473 9.871 7.425 1.00 0.00 C ATOM 2108 C ASP B 434 12.946 11.282 7.626 1.00 0.00 C ATOM 2109 O ASP B 434 12.806 12.043 6.668 1.00 0.00 O ATOM 2110 CB ASP B 434 14.072 9.732 6.026 1.00 0.00 C ATOM 2111 CG ASP B 434 14.952 8.505 5.889 1.00 0.00 C ATOM 2112 OD1 ASP B 434 15.986 8.436 6.586 1.00 0.00 O ATOM 2113 OD2 ASP B 434 14.607 7.614 5.085 1.00 0.00 O ATOM 0 H ASP B 434 11.712 8.862 6.894 1.00 0.00 H new ATOM 0 HA ASP B 434 14.250 9.688 8.167 1.00 0.00 H new ATOM 0 HB2 ASP B 434 13.267 9.681 5.293 1.00 0.00 H new ATOM 0 HB3 ASP B 434 14.657 10.622 5.795 1.00 0.00 H new ATOM 2118 N LYS B 435 12.666 11.634 8.874 1.00 0.00 N ATOM 2119 CA LYS B 435 12.167 12.965 9.185 1.00 0.00 C ATOM 2120 C LYS B 435 12.997 14.011 8.448 1.00 0.00 C ATOM 2121 O LYS B 435 12.459 14.847 7.725 1.00 0.00 O ATOM 2122 CB LYS B 435 12.209 13.215 10.697 1.00 0.00 C ATOM 2123 CG LYS B 435 13.543 13.750 11.192 1.00 0.00 C ATOM 2124 CD LYS B 435 13.507 14.065 12.675 1.00 0.00 C ATOM 2125 CE LYS B 435 12.824 12.961 13.466 1.00 0.00 C ATOM 2126 NZ LYS B 435 11.389 13.267 13.721 1.00 0.00 N ATOM 0 H LYS B 435 12.775 11.021 9.682 1.00 0.00 H new ATOM 0 HA LYS B 435 11.130 13.040 8.857 1.00 0.00 H new ATOM 0 HB2 LYS B 435 11.423 13.923 10.961 1.00 0.00 H new ATOM 0 HB3 LYS B 435 11.986 12.283 11.217 1.00 0.00 H new ATOM 0 HG2 LYS B 435 14.325 13.016 10.995 1.00 0.00 H new ATOM 0 HG3 LYS B 435 13.803 14.650 10.635 1.00 0.00 H new ATOM 0 HD2 LYS B 435 14.524 14.201 13.043 1.00 0.00 H new ATOM 0 HD3 LYS B 435 12.981 15.006 12.835 1.00 0.00 H new ATOM 0 HE2 LYS B 435 12.903 12.021 12.920 1.00 0.00 H new ATOM 0 HE3 LYS B 435 13.340 12.822 14.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 435 11.245 13.436 14.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 435 11.115 14.116 13.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 435 10.803 12.463 13.418 1.00 0.00 H new ATOM 2140 N LYS B 436 14.310 13.953 8.637 1.00 0.00 N ATOM 2141 CA LYS B 436 15.216 14.890 7.989 1.00 0.00 C ATOM 2142 C LYS B 436 14.899 15.000 6.501 1.00 0.00 C ATOM 2143 O LYS B 436 14.910 16.092 5.936 1.00 0.00 O ATOM 2144 CB LYS B 436 16.665 14.448 8.196 1.00 0.00 C ATOM 2145 CG LYS B 436 16.950 13.948 9.603 1.00 0.00 C ATOM 2146 CD LYS B 436 18.095 14.711 10.246 1.00 0.00 C ATOM 2147 CE LYS B 436 18.064 14.586 11.759 1.00 0.00 C ATOM 2148 NZ LYS B 436 19.305 15.117 12.386 1.00 0.00 N ATOM 0 H LYS B 436 14.770 13.266 9.234 1.00 0.00 H new ATOM 0 HA LYS B 436 15.082 15.873 8.440 1.00 0.00 H new ATOM 0 HB2 LYS B 436 16.901 13.658 7.483 1.00 0.00 H new ATOM 0 HB3 LYS B 436 17.327 15.285 7.975 1.00 0.00 H new ATOM 0 HG2 LYS B 436 16.054 14.051 10.215 1.00 0.00 H new ATOM 0 HG3 LYS B 436 17.193 12.886 9.570 1.00 0.00 H new ATOM 0 HD2 LYS B 436 19.044 14.332 9.868 1.00 0.00 H new ATOM 0 HD3 LYS B 436 18.037 15.763 9.965 1.00 0.00 H new ATOM 0 HE2 LYS B 436 17.201 15.125 12.150 1.00 0.00 H new ATOM 0 HE3 LYS B 436 17.938 13.539 12.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 436 19.244 15.013 13.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 436 20.127 14.587 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 436 19.413 16.123 12.145 1.00 0.00 H new ATOM 2162 N MET B 437 14.595 13.866 5.877 1.00 0.00 N ATOM 2163 CA MET B 437 14.252 13.848 4.459 1.00 0.00 C ATOM 2164 C MET B 437 12.819 14.327 4.270 1.00 0.00 C ATOM 2165 O MET B 437 12.521 15.090 3.351 1.00 0.00 O ATOM 2166 CB MET B 437 14.411 12.441 3.878 1.00 0.00 C ATOM 2167 CG MET B 437 13.788 12.272 2.500 1.00 0.00 C ATOM 2168 SD MET B 437 13.067 10.637 2.263 1.00 0.00 S ATOM 2169 CE MET B 437 11.324 11.044 2.199 1.00 0.00 C ATOM 0 H MET B 437 14.579 12.951 6.328 1.00 0.00 H new ATOM 0 HA MET B 437 14.932 14.517 3.931 1.00 0.00 H new ATOM 0 HB2 MET B 437 15.472 12.200 3.819 1.00 0.00 H new ATOM 0 HB3 MET B 437 13.959 11.722 4.562 1.00 0.00 H new ATOM 0 HG2 MET B 437 13.017 13.029 2.358 1.00 0.00 H new ATOM 0 HG3 MET B 437 14.548 12.444 1.738 1.00 0.00 H new ATOM 0 HE1 MET B 437 10.772 10.385 2.869 1.00 0.00 H new ATOM 0 HE2 MET B 437 11.181 12.079 2.508 1.00 0.00 H new ATOM 0 HE3 MET B 437 10.958 10.916 1.181 1.00 0.00 H new ATOM 2179 N LEU B 438 11.940 13.883 5.162 1.00 0.00 N ATOM 2180 CA LEU B 438 10.539 14.273 5.115 1.00 0.00 C ATOM 2181 C LEU B 438 10.420 15.794 5.151 1.00 0.00 C ATOM 2182 O LEU B 438 9.985 16.427 4.186 1.00 0.00 O ATOM 2183 CB LEU B 438 9.788 13.672 6.303 1.00 0.00 C ATOM 2184 CG LEU B 438 9.719 12.139 6.347 1.00 0.00 C ATOM 2185 CD1 LEU B 438 9.081 11.686 7.648 1.00 0.00 C ATOM 2186 CD2 LEU B 438 8.939 11.605 5.155 1.00 0.00 C ATOM 0 H LEU B 438 12.176 13.251 5.927 1.00 0.00 H new ATOM 0 HA LEU B 438 10.101 13.900 4.189 1.00 0.00 H new ATOM 0 HB2 LEU B 438 10.260 14.022 7.221 1.00 0.00 H new ATOM 0 HB3 LEU B 438 8.770 14.062 6.300 1.00 0.00 H new ATOM 0 HG LEU B 438 10.732 11.741 6.296 1.00 0.00 H new ATOM 0 HD11 LEU B 438 9.036 10.597 7.671 1.00 0.00 H new ATOM 0 HD12 LEU B 438 9.676 12.043 8.489 1.00 0.00 H new ATOM 0 HD13 LEU B 438 8.072 12.093 7.719 1.00 0.00 H new ATOM 0 HD21 LEU B 438 8.901 10.517 5.203 1.00 0.00 H new ATOM 0 HD22 LEU B 438 7.925 12.005 5.175 1.00 0.00 H new ATOM 0 HD23 LEU B 438 9.431 11.910 4.232 1.00 0.00 H new ATOM 2198 N ASP B 439 10.835 16.373 6.272 1.00 0.00 N ATOM 2199 CA ASP B 439 10.804 17.819 6.446 1.00 0.00 C ATOM 2200 C ASP B 439 11.584 18.475 5.323 1.00 0.00 C ATOM 2201 O ASP B 439 11.126 19.437 4.702 1.00 0.00 O ATOM 2202 CB ASP B 439 11.410 18.206 7.798 1.00 0.00 C ATOM 2203 CG ASP B 439 11.254 19.683 8.101 1.00 0.00 C ATOM 2204 OD1 ASP B 439 10.191 20.073 8.629 1.00 0.00 O ATOM 2205 OD2 ASP B 439 12.196 20.451 7.811 1.00 0.00 O ATOM 0 H ASP B 439 11.198 15.861 7.076 1.00 0.00 H new ATOM 0 HA ASP B 439 9.769 18.160 6.420 1.00 0.00 H new ATOM 0 HB2 ASP B 439 10.933 17.624 8.587 1.00 0.00 H new ATOM 0 HB3 ASP B 439 12.469 17.946 7.806 1.00 0.00 H new ATOM 2210 N PHE B 440 12.768 17.933 5.063 1.00 0.00 N ATOM 2211 CA PHE B 440 13.618 18.443 4.008 1.00 0.00 C ATOM 2212 C PHE B 440 12.760 18.756 2.792 1.00 0.00 C ATOM 2213 O PHE B 440 12.889 19.814 2.177 1.00 0.00 O ATOM 2214 CB PHE B 440 14.696 17.414 3.674 1.00 0.00 C ATOM 2215 CG PHE B 440 15.362 17.633 2.351 1.00 0.00 C ATOM 2216 CD1 PHE B 440 15.944 18.850 2.045 1.00 0.00 C ATOM 2217 CD2 PHE B 440 15.414 16.613 1.421 1.00 0.00 C ATOM 2218 CE1 PHE B 440 16.566 19.047 0.826 1.00 0.00 C ATOM 2219 CE2 PHE B 440 16.036 16.801 0.201 1.00 0.00 C ATOM 2220 CZ PHE B 440 16.613 18.020 -0.097 1.00 0.00 C ATOM 0 H PHE B 440 13.157 17.139 5.572 1.00 0.00 H new ATOM 0 HA PHE B 440 14.115 19.358 4.331 1.00 0.00 H new ATOM 0 HB2 PHE B 440 15.454 17.431 4.457 1.00 0.00 H new ATOM 0 HB3 PHE B 440 14.249 16.420 3.684 1.00 0.00 H new ATOM 0 HD1 PHE B 440 15.912 19.654 2.765 1.00 0.00 H new ATOM 0 HD2 PHE B 440 14.964 15.658 1.650 1.00 0.00 H new ATOM 0 HE1 PHE B 440 17.014 20.002 0.596 1.00 0.00 H new ATOM 0 HE2 PHE B 440 16.071 15.996 -0.518 1.00 0.00 H new ATOM 0 HZ PHE B 440 17.100 18.170 -1.049 1.00 0.00 H new ATOM 2230 N TYR B 441 11.868 17.826 2.470 1.00 0.00 N ATOM 2231 CA TYR B 441 10.960 17.990 1.347 1.00 0.00 C ATOM 2232 C TYR B 441 9.968 19.101 1.625 1.00 0.00 C ATOM 2233 O TYR B 441 9.635 19.869 0.734 1.00 0.00 O ATOM 2234 CB TYR B 441 10.239 16.675 1.059 1.00 0.00 C ATOM 2235 CG TYR B 441 11.178 15.617 0.540 1.00 0.00 C ATOM 2236 CD1 TYR B 441 12.492 15.941 0.249 1.00 0.00 C ATOM 2237 CD2 TYR B 441 10.765 14.307 0.343 1.00 0.00 C ATOM 2238 CE1 TYR B 441 13.369 15.003 -0.224 1.00 0.00 C ATOM 2239 CE2 TYR B 441 11.643 13.352 -0.133 1.00 0.00 C ATOM 2240 CZ TYR B 441 12.946 13.705 -0.415 1.00 0.00 C ATOM 2241 OH TYR B 441 13.826 12.759 -0.891 1.00 0.00 O ATOM 0 H TYR B 441 11.756 16.947 2.975 1.00 0.00 H new ATOM 0 HA TYR B 441 11.537 18.267 0.465 1.00 0.00 H new ATOM 0 HB2 TYR B 441 9.759 16.318 1.970 1.00 0.00 H new ATOM 0 HB3 TYR B 441 9.448 16.848 0.329 1.00 0.00 H new ATOM 0 HD1 TYR B 441 12.832 16.955 0.398 1.00 0.00 H new ATOM 0 HD2 TYR B 441 9.745 14.030 0.564 1.00 0.00 H new ATOM 0 HE1 TYR B 441 14.389 15.279 -0.447 1.00 0.00 H new ATOM 0 HE2 TYR B 441 11.311 12.335 -0.283 1.00 0.00 H new ATOM 0 HH TYR B 441 13.580 11.878 -0.541 1.00 0.00 H new ATOM 2251 N ALA B 442 9.513 19.216 2.865 1.00 0.00 N ATOM 2252 CA ALA B 442 8.589 20.284 3.202 1.00 0.00 C ATOM 2253 C ALA B 442 9.125 21.592 2.640 1.00 0.00 C ATOM 2254 O ALA B 442 8.501 22.217 1.780 1.00 0.00 O ATOM 2255 CB ALA B 442 8.386 20.388 4.707 1.00 0.00 C ATOM 0 H ALA B 442 9.763 18.598 3.637 1.00 0.00 H new ATOM 0 HA ALA B 442 7.616 20.065 2.762 1.00 0.00 H new ATOM 0 HB1 ALA B 442 7.689 21.197 4.925 1.00 0.00 H new ATOM 0 HB2 ALA B 442 7.982 19.449 5.085 1.00 0.00 H new ATOM 0 HB3 ALA B 442 9.342 20.592 5.190 1.00 0.00 H new ATOM 2261 N LYS B 443 10.303 21.986 3.115 1.00 0.00 N ATOM 2262 CA LYS B 443 10.938 23.205 2.638 1.00 0.00 C ATOM 2263 C LYS B 443 11.045 23.166 1.120 1.00 0.00 C ATOM 2264 O LYS B 443 10.523 24.043 0.431 1.00 0.00 O ATOM 2265 CB LYS B 443 12.326 23.372 3.260 1.00 0.00 C ATOM 2266 CG LYS B 443 13.230 24.317 2.485 1.00 0.00 C ATOM 2267 CD LYS B 443 13.918 25.312 3.406 1.00 0.00 C ATOM 2268 CE LYS B 443 13.006 26.479 3.750 1.00 0.00 C ATOM 2269 NZ LYS B 443 12.554 27.211 2.534 1.00 0.00 N ATOM 0 H LYS B 443 10.833 21.481 3.825 1.00 0.00 H new ATOM 0 HA LYS B 443 10.327 24.057 2.935 1.00 0.00 H new ATOM 0 HB2 LYS B 443 12.216 23.742 4.279 1.00 0.00 H new ATOM 0 HB3 LYS B 443 12.806 22.395 3.325 1.00 0.00 H new ATOM 0 HG2 LYS B 443 13.981 23.741 1.944 1.00 0.00 H new ATOM 0 HG3 LYS B 443 12.643 24.855 1.741 1.00 0.00 H new ATOM 0 HD2 LYS B 443 14.226 24.808 4.322 1.00 0.00 H new ATOM 0 HD3 LYS B 443 14.823 25.686 2.928 1.00 0.00 H new ATOM 0 HE2 LYS B 443 12.137 26.111 4.296 1.00 0.00 H new ATOM 0 HE3 LYS B 443 13.531 27.167 4.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 443 12.313 28.190 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 443 13.317 27.215 1.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 443 11.716 26.740 2.137 1.00 0.00 H new ATOM 2283 N GLN B 444 11.705 22.132 0.596 1.00 0.00 N ATOM 2284 CA GLN B 444 11.857 21.971 -0.841 1.00 0.00 C ATOM 2285 C GLN B 444 10.550 22.306 -1.554 1.00 0.00 C ATOM 2286 O GLN B 444 10.474 23.254 -2.335 1.00 0.00 O ATOM 2287 CB GLN B 444 12.286 20.527 -1.152 1.00 0.00 C ATOM 2288 CG GLN B 444 13.726 20.414 -1.609 1.00 0.00 C ATOM 2289 CD GLN B 444 13.835 20.151 -3.096 1.00 0.00 C ATOM 2290 OE1 GLN B 444 12.831 20.591 -3.846 1.00 0.00 O flip ATOM 2291 NE2 GLN B 444 14.809 19.564 -3.565 1.00 0.00 N flip ATOM 0 H GLN B 444 12.141 21.396 1.151 1.00 0.00 H new ATOM 0 HA GLN B 444 12.625 22.656 -1.200 1.00 0.00 H new ATOM 0 HB2 GLN B 444 12.146 19.914 -0.262 1.00 0.00 H new ATOM 0 HB3 GLN B 444 11.634 20.120 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN B 444 14.256 21.334 -1.365 1.00 0.00 H new ATOM 0 HG3 GLN B 444 14.217 19.609 -1.062 1.00 0.00 H new ATOM 0 HE21 GLN B 444 15.557 19.244 -2.949 1.00 0.00 H new ATOM 0 HE22 GLN B 444 14.869 19.397 -4.570 1.00 0.00 H new ATOM 2300 N ARG B 445 9.523 21.523 -1.258 1.00 0.00 N ATOM 2301 CA ARG B 445 8.202 21.715 -1.835 1.00 0.00 C ATOM 2302 C ARG B 445 7.826 23.192 -1.848 1.00 0.00 C ATOM 2303 O ARG B 445 7.192 23.674 -2.786 1.00 0.00 O ATOM 2304 CB ARG B 445 7.172 20.921 -1.029 1.00 0.00 C ATOM 2305 CG ARG B 445 6.174 20.167 -1.885 1.00 0.00 C ATOM 2306 CD ARG B 445 5.174 21.114 -2.528 1.00 0.00 C ATOM 2307 NE ARG B 445 3.962 21.258 -1.728 1.00 0.00 N ATOM 2308 CZ ARG B 445 3.122 22.281 -1.843 1.00 0.00 C ATOM 2309 NH1 ARG B 445 3.359 23.238 -2.730 1.00 0.00 N ATOM 2310 NH2 ARG B 445 2.043 22.347 -1.074 1.00 0.00 N ATOM 0 H ARG B 445 9.583 20.737 -0.611 1.00 0.00 H new ATOM 0 HA ARG B 445 8.215 21.357 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG B 445 7.695 20.212 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG B 445 6.632 21.605 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG B 445 6.702 19.611 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG B 445 5.645 19.436 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG B 445 5.637 22.092 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG B 445 4.912 20.745 -3.520 1.00 0.00 H new ATOM 0 HE ARG B 445 3.748 20.533 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG B 445 4.186 23.189 -3.324 1.00 0.00 H new ATOM 0 HH12 ARG B 445 2.714 24.023 -2.818 1.00 0.00 H new ATOM 0 HH21 ARG B 445 1.857 21.611 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG B 445 1.400 23.133 -1.164 1.00 0.00 H new ATOM 2324 N ALA B 446 8.217 23.905 -0.798 1.00 0.00 N ATOM 2325 CA ALA B 446 7.923 25.328 -0.695 1.00 0.00 C ATOM 2326 C ALA B 446 8.854 26.143 -1.589 1.00 0.00 C ATOM 2327 O ALA B 446 8.429 27.100 -2.237 1.00 0.00 O ATOM 2328 CB ALA B 446 8.027 25.802 0.748 1.00 0.00 C ATOM 0 H ALA B 446 8.737 23.522 -0.008 1.00 0.00 H new ATOM 0 HA ALA B 446 6.899 25.481 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA B 446 7.803 26.868 0.798 1.00 0.00 H new ATOM 0 HB2 ALA B 446 7.315 25.252 1.364 1.00 0.00 H new ATOM 0 HB3 ALA B 446 9.037 25.626 1.117 1.00 0.00 H new ATOM 2334 N ALA B 447 10.126 25.760 -1.610 1.00 0.00 N ATOM 2335 CA ALA B 447 11.126 26.454 -2.415 1.00 0.00 C ATOM 2336 C ALA B 447 10.908 26.207 -3.904 1.00 0.00 C ATOM 2337 O ALA B 447 10.478 27.103 -4.629 1.00 0.00 O ATOM 2338 CB ALA B 447 12.533 26.036 -2.016 1.00 0.00 C ATOM 0 H ALA B 447 10.490 24.970 -1.077 1.00 0.00 H new ATOM 0 HA ALA B 447 11.013 27.521 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA B 447 13.259 26.568 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA B 447 12.701 26.278 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA B 447 12.649 24.962 -2.164 1.00 0.00 H new