USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 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 142:sc= -5.05! (180deg=-3.17!) USER MOD Set 1.2: B 369 ASN :FLIP amide:sc= -5.04! C(o=-13!,f=-10!) USER MOD Single : B 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 373 GLN : amide:sc= -4.83 K(o=-4.8,f=-6!) USER MOD Single : B 375 TYR OH : rot 180:sc= 0 USER MOD Single : B 376 SER OG : rot -104:sc= -2.62! USER MOD Single : B 380 TYR OH : rot 180:sc= -0.11 USER MOD Single : B 382 SER OG : rot 180:sc= 0 USER MOD Single : B 386 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.14) USER MOD Single : B 387 TYR OH : rot 75:sc= -3.16! 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 -150:sc= -0.577 USER MOD Single : B 399 ASN :FLIP amide:sc= -0.514 F(o=-1.7,f=-0.51) USER MOD Single : B 400 SER OG : rot 26:sc= 0.16 USER MOD Single : B 404 CYS SG : rot -119:sc= -5.72! USER MOD Single : B 410 THR OG1 : rot 180:sc= 0 USER MOD Single : B 414 THR OG1 : rot 32:sc= 0.739 USER MOD Single : B 419 ASN :FLIP amide:sc= -2.41 F(o=-3.4,f=-2.4) USER MOD Single : B 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -10.6! C(o=-11!,f=-15!) USER MOD Single : B 435 LYS NZ :NH3+ -166:sc= -0.0124 (180deg=-0.164) USER MOD Single : B 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 437 MET CE :methyl -178:sc= -1.93 (180deg=-1.97) USER MOD Single : B 441 TYR OH : rot 180:sc= -0.356 USER MOD Single : B 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 444 GLN :FLIP amide:sc= -0.177 F(o=-0.9,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1050 N LEU B 366 -1.008 0.289 11.196 1.00 0.00 N ATOM 1051 CA LEU B 366 0.036 1.280 10.944 1.00 0.00 C ATOM 1052 C LEU B 366 0.026 1.738 9.495 1.00 0.00 C ATOM 1053 O LEU B 366 0.473 2.842 9.183 1.00 0.00 O ATOM 1054 CB LEU B 366 1.405 0.707 11.301 1.00 0.00 C ATOM 1055 CG LEU B 366 1.429 -0.127 12.575 1.00 0.00 C ATOM 1056 CD1 LEU B 366 2.861 -0.431 12.988 1.00 0.00 C ATOM 1057 CD2 LEU B 366 0.688 0.593 13.692 1.00 0.00 C ATOM 0 HA LEU B 366 -0.167 2.146 11.574 1.00 0.00 H new ATOM 0 HB2 LEU B 366 1.754 0.091 10.472 1.00 0.00 H new ATOM 0 HB3 LEU B 366 2.112 1.529 11.407 1.00 0.00 H new ATOM 0 HG LEU B 366 0.924 -1.073 12.380 1.00 0.00 H new ATOM 0 HD11 LEU B 366 2.858 -1.028 13.900 1.00 0.00 H new ATOM 0 HD12 LEU B 366 3.359 -0.986 12.193 1.00 0.00 H new ATOM 0 HD13 LEU B 366 3.394 0.503 13.167 1.00 0.00 H new ATOM 0 HD21 LEU B 366 0.713 -0.015 14.596 1.00 0.00 H new ATOM 0 HD22 LEU B 366 1.167 1.553 13.886 1.00 0.00 H new ATOM 0 HD23 LEU B 366 -0.348 0.758 13.394 1.00 0.00 H new ATOM 1069 N ASP B 367 -0.499 0.902 8.608 1.00 0.00 N ATOM 1070 CA ASP B 367 -0.571 1.272 7.205 1.00 0.00 C ATOM 1071 C ASP B 367 -1.095 2.698 7.104 1.00 0.00 C ATOM 1072 O ASP B 367 -0.356 3.630 6.787 1.00 0.00 O ATOM 1073 CB ASP B 367 -1.483 0.318 6.424 1.00 0.00 C ATOM 1074 CG ASP B 367 -2.493 -0.382 7.313 1.00 0.00 C ATOM 1075 OD1 ASP B 367 -3.424 0.293 7.801 1.00 0.00 O ATOM 1076 OD2 ASP B 367 -2.355 -1.607 7.521 1.00 0.00 O ATOM 0 H ASP B 367 -0.874 -0.020 8.831 1.00 0.00 H new ATOM 0 HA ASP B 367 0.425 1.205 6.768 1.00 0.00 H new ATOM 0 HB2 ASP B 367 -2.011 0.877 5.651 1.00 0.00 H new ATOM 0 HB3 ASP B 367 -0.872 -0.429 5.917 1.00 0.00 H new ATOM 1081 N MET B 368 -2.384 2.846 7.389 1.00 0.00 N ATOM 1082 CA MET B 368 -3.035 4.145 7.354 1.00 0.00 C ATOM 1083 C MET B 368 -2.069 5.242 7.803 1.00 0.00 C ATOM 1084 O MET B 368 -1.983 6.296 7.171 1.00 0.00 O ATOM 1085 CB MET B 368 -4.310 4.117 8.216 1.00 0.00 C ATOM 1086 CG MET B 368 -4.202 4.792 9.579 1.00 0.00 C ATOM 1087 SD MET B 368 -4.007 3.609 10.921 1.00 0.00 S ATOM 1088 CE MET B 368 -2.612 4.326 11.779 1.00 0.00 C ATOM 0 H MET B 368 -3.000 2.075 7.648 1.00 0.00 H new ATOM 0 HA MET B 368 -3.328 4.372 6.329 1.00 0.00 H new ATOM 0 HB2 MET B 368 -5.115 4.595 7.657 1.00 0.00 H new ATOM 0 HB3 MET B 368 -4.601 3.078 8.368 1.00 0.00 H new ATOM 0 HG2 MET B 368 -3.353 5.476 9.576 1.00 0.00 H new ATOM 0 HG3 MET B 368 -5.095 5.392 9.755 1.00 0.00 H new ATOM 0 HE1 MET B 368 -2.749 4.213 12.854 1.00 0.00 H new ATOM 0 HE2 MET B 368 -1.697 3.818 11.474 1.00 0.00 H new ATOM 0 HE3 MET B 368 -2.538 5.385 11.532 1.00 0.00 H new ATOM 1098 N ASN B 369 -1.330 4.990 8.888 1.00 0.00 N ATOM 1099 CA ASN B 369 -0.368 5.966 9.386 1.00 0.00 C ATOM 1100 C ASN B 369 0.631 6.336 8.296 1.00 0.00 C ATOM 1101 O ASN B 369 0.840 7.515 8.002 1.00 0.00 O ATOM 1102 CB ASN B 369 0.376 5.411 10.599 1.00 0.00 C ATOM 1103 CG ASN B 369 -0.154 5.967 11.901 1.00 0.00 C ATOM 1104 OD1 ASN B 369 -0.333 5.094 12.880 1.00 0.00 O flip ATOM 1105 ND2 ASN B 369 -0.398 7.167 12.025 1.00 0.00 N flip ATOM 0 H ASN B 369 -1.381 4.127 9.430 1.00 0.00 H new ATOM 0 HA ASN B 369 -0.915 6.861 9.683 1.00 0.00 H new ATOM 0 HB2 ASN B 369 0.290 4.324 10.609 1.00 0.00 H new ATOM 0 HB3 ASN B 369 1.437 5.646 10.511 1.00 0.00 H new ATOM 0 HD21 ASN B 369 -0.244 7.802 11.242 1.00 0.00 H new ATOM 0 HD22 ASN B 369 -0.754 7.526 12.911 1.00 0.00 H new ATOM 1112 N ALA B 370 1.245 5.321 7.694 1.00 0.00 N ATOM 1113 CA ALA B 370 2.217 5.539 6.633 1.00 0.00 C ATOM 1114 C ALA B 370 1.572 6.246 5.451 1.00 0.00 C ATOM 1115 O ALA B 370 1.851 7.414 5.190 1.00 0.00 O ATOM 1116 CB ALA B 370 2.839 4.225 6.187 1.00 0.00 C ATOM 0 H ALA B 370 1.085 4.340 7.925 1.00 0.00 H new ATOM 0 HA ALA B 370 3.009 6.175 7.029 1.00 0.00 H new ATOM 0 HB1 ALA B 370 3.562 4.415 5.394 1.00 0.00 H new ATOM 0 HB2 ALA B 370 3.343 3.756 7.032 1.00 0.00 H new ATOM 0 HB3 ALA B 370 2.059 3.561 5.815 1.00 0.00 H new ATOM 1122 N LYS B 371 0.710 5.531 4.734 1.00 0.00 N ATOM 1123 CA LYS B 371 0.027 6.101 3.578 1.00 0.00 C ATOM 1124 C LYS B 371 -0.314 7.564 3.830 1.00 0.00 C ATOM 1125 O LYS B 371 -0.213 8.406 2.934 1.00 0.00 O ATOM 1126 CB LYS B 371 -1.248 5.314 3.271 1.00 0.00 C ATOM 1127 CG LYS B 371 -1.006 3.833 3.036 1.00 0.00 C ATOM 1128 CD LYS B 371 -1.805 2.978 4.006 1.00 0.00 C ATOM 1129 CE LYS B 371 -3.059 2.419 3.354 1.00 0.00 C ATOM 1130 NZ LYS B 371 -2.821 1.076 2.754 1.00 0.00 N ATOM 0 H LYS B 371 0.469 4.560 4.932 1.00 0.00 H new ATOM 0 HA LYS B 371 0.695 6.038 2.719 1.00 0.00 H new ATOM 0 HB2 LYS B 371 -1.947 5.433 4.099 1.00 0.00 H new ATOM 0 HB3 LYS B 371 -1.725 5.740 2.388 1.00 0.00 H new ATOM 0 HG2 LYS B 371 -1.279 3.576 2.013 1.00 0.00 H new ATOM 0 HG3 LYS B 371 0.056 3.615 3.146 1.00 0.00 H new ATOM 0 HD2 LYS B 371 -1.184 2.157 4.366 1.00 0.00 H new ATOM 0 HD3 LYS B 371 -2.081 3.574 4.876 1.00 0.00 H new ATOM 0 HE2 LYS B 371 -3.854 2.349 4.096 1.00 0.00 H new ATOM 0 HE3 LYS B 371 -3.404 3.106 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 -3.700 0.729 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 -2.080 1.147 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 -2.517 0.413 3.496 1.00 0.00 H new ATOM 1144 N ARG B 372 -0.716 7.857 5.062 1.00 0.00 N ATOM 1145 CA ARG B 372 -1.071 9.214 5.449 1.00 0.00 C ATOM 1146 C ARG B 372 0.146 10.132 5.391 1.00 0.00 C ATOM 1147 O ARG B 372 0.066 11.249 4.901 1.00 0.00 O ATOM 1148 CB ARG B 372 -1.666 9.228 6.866 1.00 0.00 C ATOM 1149 CG ARG B 372 -3.194 9.208 6.940 1.00 0.00 C ATOM 1150 CD ARG B 372 -3.859 9.059 5.579 1.00 0.00 C ATOM 1151 NE ARG B 372 -5.313 8.987 5.694 1.00 0.00 N ATOM 1152 CZ ARG B 372 -5.964 7.910 6.116 1.00 0.00 C ATOM 1153 NH1 ARG B 372 -5.294 6.816 6.443 1.00 0.00 N ATOM 1154 NH2 ARG B 372 -7.285 7.922 6.212 1.00 0.00 N ATOM 0 H ARG B 372 -0.804 7.169 5.810 1.00 0.00 H new ATOM 0 HA ARG B 372 -1.817 9.581 4.744 1.00 0.00 H new ATOM 0 HB2 ARG B 372 -1.282 8.365 7.411 1.00 0.00 H new ATOM 0 HB3 ARG B 372 -1.306 10.118 7.383 1.00 0.00 H new ATOM 0 HG2 ARG B 372 -3.509 8.386 7.583 1.00 0.00 H new ATOM 0 HG3 ARG B 372 -3.541 10.130 7.407 1.00 0.00 H new ATOM 0 HD2 ARG B 372 -3.585 9.903 4.946 1.00 0.00 H new ATOM 0 HD3 ARG B 372 -3.488 8.159 5.089 1.00 0.00 H new ATOM 0 HE ARG B 372 -5.858 9.809 5.436 1.00 0.00 H new ATOM 0 HH11 ARG B 372 -4.277 6.800 6.371 1.00 0.00 H new ATOM 0 HH12 ARG B 372 -5.795 5.989 6.767 1.00 0.00 H new ATOM 0 HH21 ARG B 372 -7.807 8.762 5.961 1.00 0.00 H new ATOM 0 HH22 ARG B 372 -7.780 7.092 6.537 1.00 0.00 H new ATOM 1168 N GLN B 373 1.286 9.660 5.861 1.00 0.00 N ATOM 1169 CA GLN B 373 2.490 10.476 5.819 1.00 0.00 C ATOM 1170 C GLN B 373 2.817 10.862 4.379 1.00 0.00 C ATOM 1171 O GLN B 373 3.157 12.009 4.079 1.00 0.00 O ATOM 1172 CB GLN B 373 3.676 9.732 6.443 1.00 0.00 C ATOM 1173 CG GLN B 373 4.647 10.657 7.160 1.00 0.00 C ATOM 1174 CD GLN B 373 5.409 11.554 6.205 1.00 0.00 C ATOM 1175 OE1 GLN B 373 5.545 12.755 6.442 1.00 0.00 O ATOM 1176 NE2 GLN B 373 5.910 10.976 5.120 1.00 0.00 N ATOM 0 H GLN B 373 1.406 8.733 6.270 1.00 0.00 H new ATOM 0 HA GLN B 373 2.307 11.381 6.398 1.00 0.00 H new ATOM 0 HB2 GLN B 373 3.302 8.990 7.148 1.00 0.00 H new ATOM 0 HB3 GLN B 373 4.209 9.189 5.662 1.00 0.00 H new ATOM 0 HG2 GLN B 373 4.098 11.273 7.872 1.00 0.00 H new ATOM 0 HG3 GLN B 373 5.355 10.060 7.735 1.00 0.00 H new ATOM 0 HE21 GLN B 373 5.773 9.977 4.965 1.00 0.00 H new ATOM 0 HE22 GLN B 373 6.432 11.531 4.442 1.00 0.00 H new ATOM 1185 N LEU B 374 2.725 9.884 3.496 1.00 0.00 N ATOM 1186 CA LEU B 374 3.031 10.084 2.089 1.00 0.00 C ATOM 1187 C LEU B 374 2.174 11.162 1.420 1.00 0.00 C ATOM 1188 O LEU B 374 2.690 12.212 1.030 1.00 0.00 O ATOM 1189 CB LEU B 374 2.875 8.765 1.328 1.00 0.00 C ATOM 1190 CG LEU B 374 4.050 7.794 1.460 1.00 0.00 C ATOM 1191 CD1 LEU B 374 5.202 8.223 0.567 1.00 0.00 C ATOM 1192 CD2 LEU B 374 4.504 7.696 2.909 1.00 0.00 C ATOM 0 H LEU B 374 2.438 8.934 3.731 1.00 0.00 H new ATOM 0 HA LEU B 374 4.063 10.433 2.049 1.00 0.00 H new ATOM 0 HB2 LEU B 374 1.971 8.266 1.679 1.00 0.00 H new ATOM 0 HB3 LEU B 374 2.726 8.989 0.272 1.00 0.00 H new ATOM 0 HG LEU B 374 3.716 6.808 1.138 1.00 0.00 H new ATOM 0 HD11 LEU B 374 6.028 7.520 0.675 1.00 0.00 H new ATOM 0 HD12 LEU B 374 4.871 8.237 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU B 374 5.534 9.220 0.856 1.00 0.00 H new ATOM 0 HD21 LEU B 374 5.340 7.001 2.982 1.00 0.00 H new ATOM 0 HD22 LEU B 374 4.818 8.679 3.259 1.00 0.00 H new ATOM 0 HD23 LEU B 374 3.679 7.338 3.525 1.00 0.00 H new ATOM 1204 N TYR B 375 0.884 10.884 1.236 1.00 0.00 N ATOM 1205 CA TYR B 375 0.005 11.825 0.540 1.00 0.00 C ATOM 1206 C TYR B 375 -0.782 12.717 1.483 1.00 0.00 C ATOM 1207 O TYR B 375 -1.708 13.409 1.061 1.00 0.00 O ATOM 1208 CB TYR B 375 -0.956 11.062 -0.372 1.00 0.00 C ATOM 1209 CG TYR B 375 -0.340 10.649 -1.689 1.00 0.00 C ATOM 1210 CD1 TYR B 375 1.039 10.563 -1.835 1.00 0.00 C ATOM 1211 CD2 TYR B 375 -1.136 10.345 -2.786 1.00 0.00 C ATOM 1212 CE1 TYR B 375 1.607 10.187 -3.037 1.00 0.00 C ATOM 1213 CE2 TYR B 375 -0.575 9.968 -3.991 1.00 0.00 C ATOM 1214 CZ TYR B 375 0.796 9.890 -4.112 1.00 0.00 C ATOM 1215 OH TYR B 375 1.358 9.515 -5.310 1.00 0.00 O ATOM 0 H TYR B 375 0.429 10.028 1.553 1.00 0.00 H new ATOM 0 HA TYR B 375 0.649 12.478 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR B 375 -1.309 10.172 0.149 1.00 0.00 H new ATOM 0 HB3 TYR B 375 -1.829 11.684 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR B 375 1.677 10.794 -0.995 1.00 0.00 H new ATOM 0 HD2 TYR B 375 -2.211 10.404 -2.696 1.00 0.00 H new ATOM 0 HE1 TYR B 375 2.681 10.126 -3.134 1.00 0.00 H new ATOM 0 HE2 TYR B 375 -1.208 9.735 -4.835 1.00 0.00 H new ATOM 0 HH TYR B 375 0.649 9.340 -5.963 1.00 0.00 H new ATOM 1225 N SER B 376 -0.414 12.717 2.747 1.00 0.00 N ATOM 1226 CA SER B 376 -1.096 13.549 3.719 1.00 0.00 C ATOM 1227 C SER B 376 -0.089 14.361 4.531 1.00 0.00 C ATOM 1228 O SER B 376 -0.470 15.170 5.376 1.00 0.00 O ATOM 1229 CB SER B 376 -1.980 12.696 4.629 1.00 0.00 C ATOM 1230 OG SER B 376 -2.387 11.506 3.973 1.00 0.00 O ATOM 0 H SER B 376 0.348 12.155 3.125 1.00 0.00 H new ATOM 0 HA SER B 376 -1.739 14.249 3.186 1.00 0.00 H new ATOM 0 HB2 SER B 376 -1.436 12.445 5.540 1.00 0.00 H new ATOM 0 HB3 SER B 376 -2.858 13.268 4.929 1.00 0.00 H new ATOM 0 HG SER B 376 -3.322 11.590 3.693 1.00 0.00 H new ATOM 1236 N LEU B 377 1.199 14.161 4.246 1.00 0.00 N ATOM 1237 CA LEU B 377 2.255 14.894 4.928 1.00 0.00 C ATOM 1238 C LEU B 377 3.374 15.292 3.956 1.00 0.00 C ATOM 1239 O LEU B 377 4.061 16.289 4.179 1.00 0.00 O ATOM 1240 CB LEU B 377 2.827 14.066 6.076 1.00 0.00 C ATOM 1241 CG LEU B 377 2.089 14.203 7.406 1.00 0.00 C ATOM 1242 CD1 LEU B 377 0.737 13.508 7.346 1.00 0.00 C ATOM 1243 CD2 LEU B 377 2.930 13.629 8.530 1.00 0.00 C ATOM 0 H LEU B 377 1.531 13.497 3.547 1.00 0.00 H new ATOM 0 HA LEU B 377 1.817 15.806 5.334 1.00 0.00 H new ATOM 0 HB2 LEU B 377 2.823 13.016 5.783 1.00 0.00 H new ATOM 0 HB3 LEU B 377 3.868 14.351 6.225 1.00 0.00 H new ATOM 0 HG LEU B 377 1.918 15.262 7.600 1.00 0.00 H new ATOM 0 HD11 LEU B 377 0.228 13.618 8.304 1.00 0.00 H new ATOM 0 HD12 LEU B 377 0.131 13.958 6.560 1.00 0.00 H new ATOM 0 HD13 LEU B 377 0.881 12.449 7.131 1.00 0.00 H new ATOM 0 HD21 LEU B 377 2.395 13.732 9.474 1.00 0.00 H new ATOM 0 HD22 LEU B 377 3.125 12.574 8.336 1.00 0.00 H new ATOM 0 HD23 LEU B 377 3.876 14.168 8.589 1.00 0.00 H new ATOM 1255 N ILE B 378 3.562 14.516 2.880 1.00 0.00 N ATOM 1256 CA ILE B 378 4.604 14.816 1.904 1.00 0.00 C ATOM 1257 C ILE B 378 4.160 14.470 0.487 1.00 0.00 C ATOM 1258 O ILE B 378 4.946 13.958 -0.309 1.00 0.00 O ATOM 1259 CB ILE B 378 5.896 14.040 2.213 1.00 0.00 C ATOM 1260 CG1 ILE B 378 6.140 14.001 3.720 1.00 0.00 C ATOM 1261 CG2 ILE B 378 7.077 14.670 1.492 1.00 0.00 C ATOM 1262 CD1 ILE B 378 6.613 15.321 4.290 1.00 0.00 C ATOM 0 H ILE B 378 3.009 13.685 2.669 1.00 0.00 H new ATOM 0 HA ILE B 378 4.793 15.887 1.972 1.00 0.00 H new ATOM 0 HB ILE B 378 5.785 13.016 1.856 1.00 0.00 H new ATOM 0 HG12 ILE B 378 5.218 13.707 4.222 1.00 0.00 H new ATOM 0 HG13 ILE B 378 6.881 13.233 3.940 1.00 0.00 H new ATOM 0 HG21 ILE B 378 7.984 14.110 1.721 1.00 0.00 H new ATOM 0 HG22 ILE B 378 6.900 14.650 0.417 1.00 0.00 H new ATOM 0 HG23 ILE B 378 7.196 15.702 1.821 1.00 0.00 H new ATOM 0 HD11 ILE B 378 6.766 15.219 5.364 1.00 0.00 H new ATOM 0 HD12 ILE B 378 7.552 15.607 3.815 1.00 0.00 H new ATOM 0 HD13 ILE B 378 5.863 16.089 4.101 1.00 0.00 H new ATOM 1274 N GLY B 379 2.899 14.743 0.177 1.00 0.00 N ATOM 1275 CA GLY B 379 2.386 14.444 -1.147 1.00 0.00 C ATOM 1276 C GLY B 379 1.846 15.667 -1.860 1.00 0.00 C ATOM 1277 O GLY B 379 0.701 16.064 -1.645 1.00 0.00 O ATOM 0 H GLY B 379 2.224 15.164 0.815 1.00 0.00 H new ATOM 0 HA2 GLY B 379 3.180 14.001 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY B 379 1.595 13.699 -1.065 1.00 0.00 H new ATOM 1281 N TYR B 380 2.670 16.259 -2.719 1.00 0.00 N ATOM 1282 CA TYR B 380 2.263 17.438 -3.477 1.00 0.00 C ATOM 1283 C TYR B 380 2.429 17.198 -4.975 1.00 0.00 C ATOM 1284 O TYR B 380 2.722 16.081 -5.403 1.00 0.00 O ATOM 1285 CB TYR B 380 3.066 18.667 -3.041 1.00 0.00 C ATOM 1286 CG TYR B 380 4.564 18.502 -3.160 1.00 0.00 C ATOM 1287 CD1 TYR B 380 5.306 17.942 -2.126 1.00 0.00 C ATOM 1288 CD2 TYR B 380 5.238 18.914 -4.303 1.00 0.00 C ATOM 1289 CE1 TYR B 380 6.675 17.796 -2.229 1.00 0.00 C ATOM 1290 CE2 TYR B 380 6.609 18.770 -4.413 1.00 0.00 C ATOM 1291 CZ TYR B 380 7.321 18.211 -3.374 1.00 0.00 C ATOM 1292 OH TYR B 380 8.686 18.068 -3.480 1.00 0.00 O ATOM 0 H TYR B 380 3.621 15.943 -2.908 1.00 0.00 H new ATOM 0 HA TYR B 380 1.209 17.626 -3.272 1.00 0.00 H new ATOM 0 HB2 TYR B 380 2.757 19.521 -3.643 1.00 0.00 H new ATOM 0 HB3 TYR B 380 2.818 18.900 -2.005 1.00 0.00 H new ATOM 0 HD1 TYR B 380 4.803 17.616 -1.228 1.00 0.00 H new ATOM 0 HD2 TYR B 380 4.683 19.354 -5.118 1.00 0.00 H new ATOM 0 HE1 TYR B 380 7.237 17.359 -1.417 1.00 0.00 H new ATOM 0 HE2 TYR B 380 7.119 19.094 -5.308 1.00 0.00 H new ATOM 0 HH TYR B 380 8.984 18.409 -4.349 1.00 0.00 H new ATOM 1302 N ALA B 381 2.229 18.246 -5.768 1.00 0.00 N ATOM 1303 CA ALA B 381 2.347 18.137 -7.219 1.00 0.00 C ATOM 1304 C ALA B 381 3.726 18.575 -7.700 1.00 0.00 C ATOM 1305 O ALA B 381 3.910 19.715 -8.127 1.00 0.00 O ATOM 1306 CB ALA B 381 1.265 18.954 -7.911 1.00 0.00 C ATOM 0 H ALA B 381 1.985 19.178 -5.432 1.00 0.00 H new ATOM 0 HA ALA B 381 2.215 17.087 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA B 381 1.372 18.858 -8.992 1.00 0.00 H new ATOM 0 HB2 ALA B 381 0.284 18.588 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA B 381 1.364 20.002 -7.628 1.00 0.00 H new ATOM 1312 N SER B 382 4.691 17.661 -7.637 1.00 0.00 N ATOM 1313 CA SER B 382 6.054 17.951 -8.074 1.00 0.00 C ATOM 1314 C SER B 382 7.053 17.001 -7.423 1.00 0.00 C ATOM 1315 O SER B 382 8.052 16.621 -8.034 1.00 0.00 O ATOM 1316 CB SER B 382 6.427 19.398 -7.742 1.00 0.00 C ATOM 1317 OG SER B 382 7.833 19.560 -7.680 1.00 0.00 O ATOM 0 H SER B 382 4.554 16.713 -7.287 1.00 0.00 H new ATOM 0 HA SER B 382 6.093 17.809 -9.154 1.00 0.00 H new ATOM 0 HB2 SER B 382 6.014 20.066 -8.498 1.00 0.00 H new ATOM 0 HB3 SER B 382 5.983 19.682 -6.788 1.00 0.00 H new ATOM 0 HG SER B 382 8.046 20.493 -7.468 1.00 0.00 H new ATOM 1323 N LEU B 383 6.781 16.625 -6.179 1.00 0.00 N ATOM 1324 CA LEU B 383 7.660 15.723 -5.445 1.00 0.00 C ATOM 1325 C LEU B 383 8.067 14.541 -6.314 1.00 0.00 C ATOM 1326 O LEU B 383 9.224 14.124 -6.311 1.00 0.00 O ATOM 1327 CB LEU B 383 6.972 15.217 -4.177 1.00 0.00 C ATOM 1328 CG LEU B 383 7.913 14.670 -3.102 1.00 0.00 C ATOM 1329 CD1 LEU B 383 7.121 14.018 -1.979 1.00 0.00 C ATOM 1330 CD2 LEU B 383 8.891 13.676 -3.709 1.00 0.00 C ATOM 0 H LEU B 383 5.959 16.931 -5.658 1.00 0.00 H new ATOM 0 HA LEU B 383 8.555 16.279 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU B 383 6.390 16.033 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU B 383 6.266 14.433 -4.453 1.00 0.00 H new ATOM 0 HG LEU B 383 8.479 15.503 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU B 383 7.808 13.635 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU B 383 6.458 14.755 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU B 383 6.529 13.196 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU B 383 9.553 13.296 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU B 383 8.339 12.847 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU B 383 9.482 14.171 -4.479 1.00 0.00 H new ATOM 1342 N ARG B 384 7.105 14.004 -7.054 1.00 0.00 N ATOM 1343 CA ARG B 384 7.366 12.868 -7.924 1.00 0.00 C ATOM 1344 C ARG B 384 7.802 11.673 -7.092 1.00 0.00 C ATOM 1345 O ARG B 384 8.901 11.148 -7.268 1.00 0.00 O ATOM 1346 CB ARG B 384 8.451 13.222 -8.945 1.00 0.00 C ATOM 1347 CG ARG B 384 8.526 12.262 -10.120 1.00 0.00 C ATOM 1348 CD ARG B 384 7.157 11.708 -10.471 1.00 0.00 C ATOM 1349 NE ARG B 384 7.078 11.278 -11.864 1.00 0.00 N ATOM 1350 CZ ARG B 384 6.945 12.119 -12.883 1.00 0.00 C ATOM 1351 NH1 ARG B 384 6.874 13.424 -12.662 1.00 0.00 N ATOM 1352 NH2 ARG B 384 6.880 11.658 -14.124 1.00 0.00 N ATOM 0 H ARG B 384 6.141 14.337 -7.068 1.00 0.00 H new ATOM 0 HA ARG B 384 6.452 12.615 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG B 384 8.268 14.228 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG B 384 9.418 13.241 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG B 384 8.945 12.776 -10.985 1.00 0.00 H new ATOM 0 HG3 ARG B 384 9.201 11.441 -9.879 1.00 0.00 H new ATOM 0 HD2 ARG B 384 6.930 10.865 -9.819 1.00 0.00 H new ATOM 0 HD3 ARG B 384 6.400 12.469 -10.284 1.00 0.00 H new ATOM 0 HE ARG B 384 7.128 10.279 -12.065 1.00 0.00 H new ATOM 0 HH11 ARG B 384 6.922 13.783 -11.708 1.00 0.00 H new ATOM 0 HH12 ARG B 384 6.772 14.069 -13.445 1.00 0.00 H new ATOM 0 HH21 ARG B 384 6.932 10.654 -14.299 1.00 0.00 H new ATOM 0 HH22 ARG B 384 6.778 12.307 -14.904 1.00 0.00 H new ATOM 1366 N LEU B 385 6.932 11.253 -6.180 1.00 0.00 N ATOM 1367 CA LEU B 385 7.220 10.129 -5.308 1.00 0.00 C ATOM 1368 C LEU B 385 6.519 8.873 -5.795 1.00 0.00 C ATOM 1369 O LEU B 385 5.331 8.898 -6.119 1.00 0.00 O ATOM 1370 CB LEU B 385 6.781 10.459 -3.883 1.00 0.00 C ATOM 1371 CG LEU B 385 6.957 9.332 -2.870 1.00 0.00 C ATOM 1372 CD1 LEU B 385 7.001 9.894 -1.459 1.00 0.00 C ATOM 1373 CD2 LEU B 385 5.837 8.311 -3.008 1.00 0.00 C ATOM 0 H LEU B 385 6.018 11.679 -6.028 1.00 0.00 H new ATOM 0 HA LEU B 385 8.294 9.944 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU B 385 7.344 11.326 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU B 385 5.730 10.748 -3.902 1.00 0.00 H new ATOM 0 HG LEU B 385 7.903 8.829 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU B 385 7.127 9.079 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU B 385 7.838 10.587 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU B 385 6.070 10.420 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU B 385 5.979 7.514 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU B 385 4.878 8.798 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU B 385 5.851 7.889 -4.013 1.00 0.00 H new ATOM 1385 N HIS B 386 7.261 7.776 -5.854 1.00 0.00 N ATOM 1386 CA HIS B 386 6.695 6.515 -6.316 1.00 0.00 C ATOM 1387 C HIS B 386 7.361 5.306 -5.667 1.00 0.00 C ATOM 1388 O HIS B 386 8.537 5.341 -5.306 1.00 0.00 O ATOM 1389 CB HIS B 386 6.812 6.414 -7.837 1.00 0.00 C ATOM 1390 CG HIS B 386 8.219 6.507 -8.337 1.00 0.00 C ATOM 1391 ND1 HIS B 386 8.783 7.682 -8.786 1.00 0.00 N ATOM 1392 CD2 HIS B 386 9.180 5.561 -8.456 1.00 0.00 C ATOM 1393 CE1 HIS B 386 10.029 7.455 -9.162 1.00 0.00 C ATOM 1394 NE2 HIS B 386 10.295 6.177 -8.971 1.00 0.00 N ATOM 0 H HIS B 386 8.246 7.732 -5.591 1.00 0.00 H new ATOM 0 HA HIS B 386 5.645 6.507 -6.022 1.00 0.00 H new ATOM 0 HB2 HIS B 386 6.381 5.468 -8.164 1.00 0.00 H new ATOM 0 HB3 HIS B 386 6.220 7.208 -8.292 1.00 0.00 H new ATOM 0 HD2 HIS B 386 9.088 4.517 -8.195 1.00 0.00 H new ATOM 0 HE1 HIS B 386 10.713 8.191 -9.558 1.00 0.00 H new ATOM 0 HE2 HIS B 386 11.184 5.720 -9.173 1.00 0.00 H new ATOM 1403 N TYR B 387 6.590 4.229 -5.557 1.00 0.00 N ATOM 1404 CA TYR B 387 7.075 2.976 -4.993 1.00 0.00 C ATOM 1405 C TYR B 387 7.267 1.930 -6.076 1.00 0.00 C ATOM 1406 O TYR B 387 6.559 1.926 -7.084 1.00 0.00 O ATOM 1407 CB TYR B 387 6.098 2.444 -3.953 1.00 0.00 C ATOM 1408 CG TYR B 387 6.209 3.167 -2.650 1.00 0.00 C ATOM 1409 CD1 TYR B 387 6.048 4.536 -2.607 1.00 0.00 C ATOM 1410 CD2 TYR B 387 6.495 2.492 -1.474 1.00 0.00 C ATOM 1411 CE1 TYR B 387 6.166 5.227 -1.430 1.00 0.00 C ATOM 1412 CE2 TYR B 387 6.613 3.171 -0.281 1.00 0.00 C ATOM 1413 CZ TYR B 387 6.449 4.545 -0.261 1.00 0.00 C ATOM 1414 OH TYR B 387 6.568 5.234 0.924 1.00 0.00 O ATOM 0 H TYR B 387 5.615 4.201 -5.855 1.00 0.00 H new ATOM 0 HA TYR B 387 8.036 3.178 -4.520 1.00 0.00 H new ATOM 0 HB2 TYR B 387 5.080 2.537 -4.332 1.00 0.00 H new ATOM 0 HB3 TYR B 387 6.283 1.382 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR B 387 5.825 5.073 -3.517 1.00 0.00 H new ATOM 0 HD2 TYR B 387 6.627 1.420 -1.493 1.00 0.00 H new ATOM 0 HE1 TYR B 387 6.039 6.299 -1.415 1.00 0.00 H new ATOM 0 HE2 TYR B 387 6.832 2.635 0.631 1.00 0.00 H new ATOM 0 HH TYR B 387 5.679 5.497 1.240 1.00 0.00 H new ATOM 1424 N VAL B 388 8.218 1.037 -5.857 1.00 0.00 N ATOM 1425 CA VAL B 388 8.492 -0.021 -6.811 1.00 0.00 C ATOM 1426 C VAL B 388 8.598 -1.366 -6.116 1.00 0.00 C ATOM 1427 O VAL B 388 9.317 -1.516 -5.130 1.00 0.00 O ATOM 1428 CB VAL B 388 9.779 0.247 -7.606 1.00 0.00 C ATOM 1429 CG1 VAL B 388 9.431 0.779 -8.984 1.00 0.00 C ATOM 1430 CG2 VAL B 388 10.681 1.214 -6.857 1.00 0.00 C ATOM 0 H VAL B 388 8.812 1.025 -5.028 1.00 0.00 H new ATOM 0 HA VAL B 388 7.654 -0.041 -7.508 1.00 0.00 H new ATOM 0 HB VAL B 388 10.325 -0.689 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL B 388 10.347 0.967 -9.543 1.00 0.00 H new ATOM 0 HG12 VAL B 388 8.826 0.044 -9.515 1.00 0.00 H new ATOM 0 HG13 VAL B 388 8.869 1.708 -8.884 1.00 0.00 H new ATOM 0 HG21 VAL B 388 11.587 1.390 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL B 388 10.157 2.158 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL B 388 10.947 0.788 -5.889 1.00 0.00 H new ATOM 1440 N THR B 389 7.874 -2.341 -6.640 1.00 0.00 N ATOM 1441 CA THR B 389 7.878 -3.681 -6.072 1.00 0.00 C ATOM 1442 C THR B 389 8.931 -4.547 -6.747 1.00 0.00 C ATOM 1443 O THR B 389 8.938 -4.701 -7.968 1.00 0.00 O ATOM 1444 CB THR B 389 6.490 -4.346 -6.199 1.00 0.00 C ATOM 1445 OG1 THR B 389 5.637 -3.974 -5.109 1.00 0.00 O ATOM 1446 CG2 THR B 389 6.592 -5.869 -6.228 1.00 0.00 C ATOM 0 H THR B 389 7.275 -2.231 -7.458 1.00 0.00 H new ATOM 0 HA THR B 389 8.120 -3.590 -5.013 1.00 0.00 H new ATOM 0 HB THR B 389 6.067 -3.995 -7.140 1.00 0.00 H new ATOM 0 HG1 THR B 389 4.764 -4.407 -5.214 1.00 0.00 H new ATOM 0 HG21 THR B 389 5.594 -6.299 -6.318 1.00 0.00 H new ATOM 0 HG22 THR B 389 7.198 -6.177 -7.080 1.00 0.00 H new ATOM 0 HG23 THR B 389 7.056 -6.220 -5.307 1.00 0.00 H new ATOM 1454 N VAL B 390 9.820 -5.106 -5.942 1.00 0.00 N ATOM 1455 CA VAL B 390 10.879 -5.954 -6.458 1.00 0.00 C ATOM 1456 C VAL B 390 10.921 -7.289 -5.725 1.00 0.00 C ATOM 1457 O VAL B 390 10.437 -7.409 -4.599 1.00 0.00 O ATOM 1458 CB VAL B 390 12.251 -5.264 -6.343 1.00 0.00 C ATOM 1459 CG1 VAL B 390 12.316 -4.053 -7.258 1.00 0.00 C ATOM 1460 CG2 VAL B 390 12.529 -4.865 -4.903 1.00 0.00 C ATOM 0 H VAL B 390 9.828 -4.987 -4.929 1.00 0.00 H new ATOM 0 HA VAL B 390 10.661 -6.134 -7.511 1.00 0.00 H new ATOM 0 HB VAL B 390 13.020 -5.971 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL B 390 13.292 -3.578 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL B 390 12.164 -4.368 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL B 390 11.538 -3.343 -6.977 1.00 0.00 H new ATOM 0 HG21 VAL B 390 13.503 -4.379 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL B 390 11.757 -4.176 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL B 390 12.527 -5.754 -4.272 1.00 0.00 H new ATOM 1470 N LYS B 391 11.507 -8.284 -6.375 1.00 0.00 N ATOM 1471 CA LYS B 391 11.630 -9.618 -5.806 1.00 0.00 C ATOM 1472 C LYS B 391 10.386 -10.461 -6.072 1.00 0.00 C ATOM 1473 O LYS B 391 10.118 -11.409 -5.338 1.00 0.00 O ATOM 1474 CB LYS B 391 11.892 -9.535 -4.303 1.00 0.00 C ATOM 1475 CG LYS B 391 12.381 -10.842 -3.689 1.00 0.00 C ATOM 1476 CD LYS B 391 13.086 -11.722 -4.711 1.00 0.00 C ATOM 1477 CE LYS B 391 13.736 -12.930 -4.056 1.00 0.00 C ATOM 1478 NZ LYS B 391 12.735 -13.974 -3.697 1.00 0.00 N ATOM 0 H LYS B 391 11.909 -8.190 -7.308 1.00 0.00 H new ATOM 0 HA LYS B 391 12.476 -10.104 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS B 391 12.632 -8.757 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS B 391 10.974 -9.230 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS B 391 13.062 -10.624 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS B 391 11.535 -11.383 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS B 391 12.369 -12.056 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS B 391 13.844 -11.138 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS B 391 14.477 -13.355 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS B 391 14.268 -12.614 -3.159 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 13.219 -14.781 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 12.042 -13.576 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 12.244 -14.295 -4.556 1.00 0.00 H new ATOM 1492 N LYS B 392 9.643 -10.092 -7.124 1.00 0.00 N ATOM 1493 CA LYS B 392 8.410 -10.789 -7.528 1.00 0.00 C ATOM 1494 C LYS B 392 8.098 -11.989 -6.635 1.00 0.00 C ATOM 1495 O LYS B 392 8.888 -12.929 -6.541 1.00 0.00 O ATOM 1496 CB LYS B 392 8.521 -11.244 -8.985 1.00 0.00 C ATOM 1497 CG LYS B 392 8.312 -10.122 -9.988 1.00 0.00 C ATOM 1498 CD LYS B 392 6.863 -9.665 -10.017 1.00 0.00 C ATOM 1499 CE LYS B 392 6.585 -8.761 -11.208 1.00 0.00 C ATOM 1500 NZ LYS B 392 5.185 -8.255 -11.204 1.00 0.00 N ATOM 0 H LYS B 392 9.879 -9.300 -7.722 1.00 0.00 H new ATOM 0 HA LYS B 392 7.589 -10.080 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS B 392 9.505 -11.686 -9.145 1.00 0.00 H new ATOM 0 HB3 LYS B 392 7.786 -12.027 -9.170 1.00 0.00 H new ATOM 0 HG2 LYS B 392 8.955 -9.280 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS B 392 8.608 -10.460 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS B 392 6.207 -10.535 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS B 392 6.630 -9.134 -9.094 1.00 0.00 H new ATOM 0 HE2 LYS B 392 7.276 -7.918 -11.193 1.00 0.00 H new ATOM 0 HE3 LYS B 392 6.771 -9.309 -12.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 392 5.035 -7.643 -12.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 392 4.525 -9.058 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 392 5.015 -7.710 -10.335 1.00 0.00 H new ATOM 1514 N PRO B 393 6.936 -11.969 -5.965 1.00 0.00 N ATOM 1515 CA PRO B 393 6.524 -13.052 -5.068 1.00 0.00 C ATOM 1516 C PRO B 393 6.333 -14.382 -5.786 1.00 0.00 C ATOM 1517 O PRO B 393 6.159 -14.435 -7.004 1.00 0.00 O ATOM 1518 CB PRO B 393 5.185 -12.586 -4.497 1.00 0.00 C ATOM 1519 CG PRO B 393 5.086 -11.129 -4.813 1.00 0.00 C ATOM 1520 CD PRO B 393 5.941 -10.889 -6.026 1.00 0.00 C ATOM 0 HA PRO B 393 7.289 -13.234 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO B 393 4.358 -13.139 -4.942 1.00 0.00 H new ATOM 0 HB3 PRO B 393 5.140 -12.756 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO B 393 4.052 -10.845 -5.007 1.00 0.00 H new ATOM 0 HG3 PRO B 393 5.430 -10.527 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO B 393 5.356 -10.934 -6.945 1.00 0.00 H new ATOM 0 HD3 PRO B 393 6.413 -9.907 -5.996 1.00 0.00 H new ATOM 1528 N THR B 394 6.374 -15.453 -5.006 1.00 0.00 N ATOM 1529 CA THR B 394 6.212 -16.803 -5.544 1.00 0.00 C ATOM 1530 C THR B 394 5.619 -17.752 -4.510 1.00 0.00 C ATOM 1531 O THR B 394 5.551 -17.430 -3.325 1.00 0.00 O ATOM 1532 CB THR B 394 7.557 -17.377 -6.027 1.00 0.00 C ATOM 1533 OG1 THR B 394 8.305 -17.937 -4.940 1.00 0.00 O ATOM 1534 CG2 THR B 394 8.401 -16.299 -6.689 1.00 0.00 C ATOM 0 H THR B 394 6.518 -15.417 -3.997 1.00 0.00 H new ATOM 0 HA THR B 394 5.527 -16.720 -6.388 1.00 0.00 H new ATOM 0 HB THR B 394 7.326 -18.160 -6.749 1.00 0.00 H new ATOM 0 HG1 THR B 394 9.264 -17.855 -5.126 1.00 0.00 H new ATOM 0 HG21 THR B 394 9.346 -16.729 -7.021 1.00 0.00 H new ATOM 0 HG22 THR B 394 7.865 -15.893 -7.547 1.00 0.00 H new ATOM 0 HG23 THR B 394 8.598 -15.501 -5.974 1.00 0.00 H new ATOM 1542 N ALA B 395 5.198 -18.934 -4.965 1.00 0.00 N ATOM 1543 CA ALA B 395 4.624 -19.936 -4.075 1.00 0.00 C ATOM 1544 C ALA B 395 5.722 -20.771 -3.422 1.00 0.00 C ATOM 1545 O ALA B 395 5.452 -21.778 -2.766 1.00 0.00 O ATOM 1546 CB ALA B 395 3.645 -20.831 -4.817 1.00 0.00 C ATOM 0 H ALA B 395 5.245 -19.217 -5.944 1.00 0.00 H new ATOM 0 HA ALA B 395 4.076 -19.412 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA B 395 3.233 -21.569 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA B 395 2.837 -20.225 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA B 395 4.163 -21.342 -5.629 1.00 0.00 H new ATOM 1552 N VAL B 396 6.960 -20.318 -3.583 1.00 0.00 N ATOM 1553 CA VAL B 396 8.117 -20.972 -2.993 1.00 0.00 C ATOM 1554 C VAL B 396 8.956 -19.929 -2.272 1.00 0.00 C ATOM 1555 O VAL B 396 10.131 -20.140 -1.973 1.00 0.00 O ATOM 1556 CB VAL B 396 8.981 -21.675 -4.055 1.00 0.00 C ATOM 1557 CG1 VAL B 396 8.136 -22.622 -4.893 1.00 0.00 C ATOM 1558 CG2 VAL B 396 9.679 -20.652 -4.938 1.00 0.00 C ATOM 0 H VAL B 396 7.188 -19.486 -4.127 1.00 0.00 H new ATOM 0 HA VAL B 396 7.762 -21.732 -2.297 1.00 0.00 H new ATOM 0 HB VAL B 396 9.744 -22.262 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL B 396 8.765 -23.109 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL B 396 7.687 -23.377 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL B 396 7.349 -22.060 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL B 396 10.285 -21.168 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL B 396 8.933 -20.036 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL B 396 10.319 -20.018 -4.324 1.00 0.00 H new ATOM 1568 N ASP B 397 8.321 -18.790 -2.015 1.00 0.00 N ATOM 1569 CA ASP B 397 8.950 -17.665 -1.348 1.00 0.00 C ATOM 1570 C ASP B 397 8.163 -16.394 -1.658 1.00 0.00 C ATOM 1571 O ASP B 397 8.699 -15.434 -2.211 1.00 0.00 O ATOM 1572 CB ASP B 397 10.405 -17.517 -1.800 1.00 0.00 C ATOM 1573 CG ASP B 397 11.388 -17.983 -0.743 1.00 0.00 C ATOM 1574 OD1 ASP B 397 11.140 -19.041 -0.127 1.00 0.00 O ATOM 1575 OD2 ASP B 397 12.405 -17.289 -0.532 1.00 0.00 O ATOM 0 H ASP B 397 7.347 -18.625 -2.268 1.00 0.00 H new ATOM 0 HA ASP B 397 8.948 -17.838 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP B 397 10.559 -18.091 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP B 397 10.603 -16.473 -2.042 1.00 0.00 H new ATOM 1580 N PRO B 398 6.868 -16.386 -1.301 1.00 0.00 N ATOM 1581 CA PRO B 398 5.970 -15.251 -1.529 1.00 0.00 C ATOM 1582 C PRO B 398 6.627 -13.921 -1.199 1.00 0.00 C ATOM 1583 O PRO B 398 6.626 -12.993 -2.004 1.00 0.00 O ATOM 1584 CB PRO B 398 4.794 -15.521 -0.570 1.00 0.00 C ATOM 1585 CG PRO B 398 5.158 -16.753 0.198 1.00 0.00 C ATOM 1586 CD PRO B 398 6.169 -17.485 -0.636 1.00 0.00 C ATOM 0 HA PRO B 398 5.673 -15.173 -2.575 1.00 0.00 H new ATOM 0 HB2 PRO B 398 4.636 -14.676 0.101 1.00 0.00 H new ATOM 0 HB3 PRO B 398 3.866 -15.667 -1.123 1.00 0.00 H new ATOM 0 HG2 PRO B 398 5.571 -16.496 1.173 1.00 0.00 H new ATOM 0 HG3 PRO B 398 4.280 -17.373 0.378 1.00 0.00 H new ATOM 0 HD2 PRO B 398 6.842 -18.087 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO B 398 5.697 -18.160 -1.350 1.00 0.00 H new ATOM 1594 N ASN B 399 7.176 -13.852 -0.001 1.00 0.00 N ATOM 1595 CA ASN B 399 7.843 -12.654 0.501 1.00 0.00 C ATOM 1596 C ASN B 399 8.355 -11.773 -0.633 1.00 0.00 C ATOM 1597 O ASN B 399 8.966 -12.256 -1.586 1.00 0.00 O ATOM 1598 CB ASN B 399 9.000 -13.039 1.425 1.00 0.00 C ATOM 1599 CG ASN B 399 9.992 -13.967 0.754 1.00 0.00 C ATOM 1600 OD1 ASN B 399 10.787 -13.421 -0.158 1.00 0.00 O flip ATOM 1601 ND2 ASN B 399 10.045 -15.160 1.053 1.00 0.00 N flip ATOM 0 H ASN B 399 7.174 -14.629 0.660 1.00 0.00 H new ATOM 0 HA ASN B 399 7.106 -12.080 1.062 1.00 0.00 H new ATOM 0 HB2 ASN B 399 9.516 -12.136 1.752 1.00 0.00 H new ATOM 0 HB3 ASN B 399 8.603 -13.521 2.318 1.00 0.00 H new ATOM 0 HD21 ASN B 399 9.414 -15.537 1.760 1.00 0.00 H new ATOM 0 HD22 ASN B 399 10.720 -15.771 0.593 1.00 0.00 H new ATOM 1608 N SER B 400 8.097 -10.475 -0.516 1.00 0.00 N ATOM 1609 CA SER B 400 8.526 -9.515 -1.527 1.00 0.00 C ATOM 1610 C SER B 400 9.058 -8.240 -0.879 1.00 0.00 C ATOM 1611 O SER B 400 8.642 -7.870 0.221 1.00 0.00 O ATOM 1612 CB SER B 400 7.364 -9.181 -2.467 1.00 0.00 C ATOM 1613 OG SER B 400 7.770 -8.279 -3.482 1.00 0.00 O ATOM 0 H SER B 400 7.593 -10.063 0.269 1.00 0.00 H new ATOM 0 HA SER B 400 9.332 -9.968 -2.104 1.00 0.00 H new ATOM 0 HB2 SER B 400 6.985 -10.097 -2.921 1.00 0.00 H new ATOM 0 HB3 SER B 400 6.544 -8.745 -1.896 1.00 0.00 H new ATOM 0 HG SER B 400 8.734 -8.368 -3.632 1.00 0.00 H new ATOM 1619 N ILE B 401 9.983 -7.576 -1.566 1.00 0.00 N ATOM 1620 CA ILE B 401 10.579 -6.345 -1.068 1.00 0.00 C ATOM 1621 C ILE B 401 10.113 -5.141 -1.884 1.00 0.00 C ATOM 1622 O ILE B 401 9.928 -5.232 -3.099 1.00 0.00 O ATOM 1623 CB ILE B 401 12.116 -6.436 -1.092 1.00 0.00 C ATOM 1624 CG1 ILE B 401 12.754 -5.075 -0.799 1.00 0.00 C ATOM 1625 CG2 ILE B 401 12.593 -6.977 -2.426 1.00 0.00 C ATOM 1626 CD1 ILE B 401 13.586 -5.059 0.463 1.00 0.00 C ATOM 0 H ILE B 401 10.337 -7.874 -2.475 1.00 0.00 H new ATOM 0 HA ILE B 401 10.251 -6.210 -0.037 1.00 0.00 H new ATOM 0 HB ILE B 401 12.427 -7.125 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE B 401 13.382 -4.788 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE B 401 11.968 -4.324 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE B 401 13.681 -7.035 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE B 401 12.176 -7.972 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE B 401 12.265 -6.314 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE B 401 14.007 -4.064 0.608 1.00 0.00 H new ATOM 0 HD12 ILE B 401 12.958 -5.315 1.316 1.00 0.00 H new ATOM 0 HD13 ILE B 401 14.394 -5.786 0.376 1.00 0.00 H new ATOM 1638 N VAL B 402 9.910 -4.022 -1.200 1.00 0.00 N ATOM 1639 CA VAL B 402 9.446 -2.793 -1.832 1.00 0.00 C ATOM 1640 C VAL B 402 10.550 -1.749 -1.904 1.00 0.00 C ATOM 1641 O VAL B 402 11.533 -1.813 -1.166 1.00 0.00 O ATOM 1642 CB VAL B 402 8.262 -2.199 -1.048 1.00 0.00 C ATOM 1643 CG1 VAL B 402 7.363 -1.367 -1.946 1.00 0.00 C ATOM 1644 CG2 VAL B 402 7.475 -3.309 -0.380 1.00 0.00 C ATOM 0 H VAL B 402 10.062 -3.941 -0.195 1.00 0.00 H new ATOM 0 HA VAL B 402 9.135 -3.052 -2.844 1.00 0.00 H new ATOM 0 HB VAL B 402 8.660 -1.535 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL B 402 6.537 -0.963 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL B 402 7.938 -0.547 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL B 402 6.968 -1.993 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL B 402 6.639 -2.880 0.173 1.00 0.00 H new ATOM 0 HG22 VAL B 402 7.096 -3.993 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL B 402 8.124 -3.852 0.307 1.00 0.00 H new ATOM 1654 N GLU B 403 10.362 -0.778 -2.788 1.00 0.00 N ATOM 1655 CA GLU B 403 11.318 0.306 -2.965 1.00 0.00 C ATOM 1656 C GLU B 403 10.587 1.643 -2.956 1.00 0.00 C ATOM 1657 O GLU B 403 9.775 1.924 -3.837 1.00 0.00 O ATOM 1658 CB GLU B 403 12.077 0.134 -4.282 1.00 0.00 C ATOM 1659 CG GLU B 403 13.523 -0.292 -4.098 1.00 0.00 C ATOM 1660 CD GLU B 403 14.247 -0.475 -5.417 1.00 0.00 C ATOM 1661 OE1 GLU B 403 13.756 -1.257 -6.258 1.00 0.00 O ATOM 1662 OE2 GLU B 403 15.302 0.165 -5.609 1.00 0.00 O ATOM 0 H GLU B 403 9.547 -0.720 -3.399 1.00 0.00 H new ATOM 0 HA GLU B 403 12.035 0.283 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU B 403 11.563 -0.608 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU B 403 12.051 1.074 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU B 403 14.045 0.456 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU B 403 13.555 -1.226 -3.537 1.00 0.00 H new ATOM 1669 N CYS B 404 10.889 2.470 -1.965 1.00 0.00 N ATOM 1670 CA CYS B 404 10.268 3.781 -1.856 1.00 0.00 C ATOM 1671 C CYS B 404 11.236 4.841 -2.341 1.00 0.00 C ATOM 1672 O CYS B 404 12.224 5.149 -1.669 1.00 0.00 O ATOM 1673 CB CYS B 404 9.837 4.075 -0.415 1.00 0.00 C ATOM 1674 SG CYS B 404 10.441 2.888 0.809 1.00 0.00 S ATOM 0 H CYS B 404 11.559 2.256 -1.226 1.00 0.00 H new ATOM 0 HA CYS B 404 9.373 3.792 -2.478 1.00 0.00 H new ATOM 0 HB2 CYS B 404 10.188 5.070 -0.141 1.00 0.00 H new ATOM 0 HB3 CYS B 404 8.748 4.098 -0.373 1.00 0.00 H new ATOM 0 HG CYS B 404 9.431 2.310 1.389 1.00 0.00 H new ATOM 1680 N ARG B 405 10.958 5.388 -3.517 1.00 0.00 N ATOM 1681 CA ARG B 405 11.820 6.401 -4.091 1.00 0.00 C ATOM 1682 C ARG B 405 11.022 7.455 -4.850 1.00 0.00 C ATOM 1683 O ARG B 405 9.841 7.267 -5.142 1.00 0.00 O ATOM 1684 CB ARG B 405 12.854 5.746 -5.009 1.00 0.00 C ATOM 1685 CG ARG B 405 12.250 4.887 -6.108 1.00 0.00 C ATOM 1686 CD ARG B 405 13.292 4.525 -7.153 1.00 0.00 C ATOM 1687 NE ARG B 405 12.821 3.489 -8.066 1.00 0.00 N ATOM 1688 CZ ARG B 405 13.631 2.781 -8.846 1.00 0.00 C ATOM 1689 NH1 ARG B 405 14.937 3.006 -8.821 1.00 0.00 N ATOM 1690 NH2 ARG B 405 13.137 1.852 -9.651 1.00 0.00 N ATOM 0 H ARG B 405 10.146 5.146 -4.086 1.00 0.00 H new ATOM 0 HA ARG B 405 12.335 6.908 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG B 405 13.465 6.525 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG B 405 13.521 5.130 -4.406 1.00 0.00 H new ATOM 0 HG2 ARG B 405 11.833 3.978 -5.675 1.00 0.00 H new ATOM 0 HG3 ARG B 405 11.426 5.422 -6.581 1.00 0.00 H new ATOM 0 HD2 ARG B 405 13.557 5.416 -7.723 1.00 0.00 H new ATOM 0 HD3 ARG B 405 14.199 4.183 -6.655 1.00 0.00 H new ATOM 0 HE ARG B 405 11.820 3.299 -8.108 1.00 0.00 H new ATOM 0 HH11 ARG B 405 15.319 3.722 -8.203 1.00 0.00 H new ATOM 0 HH12 ARG B 405 15.560 2.463 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG B 405 12.132 1.678 -9.673 1.00 0.00 H new ATOM 0 HH22 ARG B 405 13.762 1.310 -10.248 1.00 0.00 H new ATOM 1704 N VAL B 406 11.677 8.570 -5.145 1.00 0.00 N ATOM 1705 CA VAL B 406 11.048 9.676 -5.847 1.00 0.00 C ATOM 1706 C VAL B 406 12.052 10.407 -6.731 1.00 0.00 C ATOM 1707 O VAL B 406 13.264 10.310 -6.524 1.00 0.00 O ATOM 1708 CB VAL B 406 10.440 10.673 -4.840 1.00 0.00 C ATOM 1709 CG1 VAL B 406 9.873 9.928 -3.648 1.00 0.00 C ATOM 1710 CG2 VAL B 406 11.472 11.685 -4.380 1.00 0.00 C ATOM 0 H VAL B 406 12.655 8.731 -4.905 1.00 0.00 H new ATOM 0 HA VAL B 406 10.259 9.263 -6.476 1.00 0.00 H new ATOM 0 HB VAL B 406 9.636 11.213 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL B 406 9.446 10.641 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL B 406 9.097 9.241 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL B 406 10.668 9.366 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL B 406 11.014 12.375 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL B 406 12.301 11.166 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL B 406 11.843 12.242 -5.240 1.00 0.00 H new ATOM 1720 N GLY B 407 11.542 11.151 -7.705 1.00 0.00 N ATOM 1721 CA GLY B 407 12.402 11.905 -8.593 1.00 0.00 C ATOM 1722 C GLY B 407 13.276 11.029 -9.475 1.00 0.00 C ATOM 1723 O GLY B 407 14.089 11.539 -10.247 1.00 0.00 O ATOM 0 H GLY B 407 10.544 11.245 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY B 407 11.787 12.545 -9.225 1.00 0.00 H new ATOM 0 HA3 GLY B 407 13.039 12.561 -8.000 1.00 0.00 H new ATOM 1727 N ASP B 408 13.111 9.715 -9.370 1.00 0.00 N ATOM 1728 CA ASP B 408 13.892 8.782 -10.173 1.00 0.00 C ATOM 1729 C ASP B 408 15.337 8.720 -9.694 1.00 0.00 C ATOM 1730 O ASP B 408 16.206 8.197 -10.390 1.00 0.00 O ATOM 1731 CB ASP B 408 13.853 9.192 -11.644 1.00 0.00 C ATOM 1732 CG ASP B 408 13.837 7.998 -12.578 1.00 0.00 C ATOM 1733 OD1 ASP B 408 13.931 6.856 -12.082 1.00 0.00 O ATOM 1734 OD2 ASP B 408 13.732 8.206 -13.805 1.00 0.00 O ATOM 0 H ASP B 408 12.444 9.273 -8.737 1.00 0.00 H new ATOM 0 HA ASP B 408 13.450 7.792 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP B 408 12.968 9.803 -11.825 1.00 0.00 H new ATOM 0 HB3 ASP B 408 14.720 9.813 -11.868 1.00 0.00 H new ATOM 1739 N GLY B 409 15.596 9.260 -8.506 1.00 0.00 N ATOM 1740 CA GLY B 409 16.946 9.248 -7.977 1.00 0.00 C ATOM 1741 C GLY B 409 17.005 9.383 -6.466 1.00 0.00 C ATOM 1742 O GLY B 409 18.068 9.657 -5.908 1.00 0.00 O ATOM 0 H GLY B 409 14.900 9.702 -7.905 1.00 0.00 H new ATOM 0 HA2 GLY B 409 17.435 8.319 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY B 409 17.512 10.062 -8.429 1.00 0.00 H new ATOM 1746 N THR B 410 15.873 9.194 -5.798 1.00 0.00 N ATOM 1747 CA THR B 410 15.825 9.301 -4.345 1.00 0.00 C ATOM 1748 C THR B 410 15.061 8.138 -3.725 1.00 0.00 C ATOM 1749 O THR B 410 13.896 7.932 -4.026 1.00 0.00 O ATOM 1750 CB THR B 410 15.166 10.620 -3.907 1.00 0.00 C ATOM 1751 OG1 THR B 410 15.550 11.706 -4.760 1.00 0.00 O ATOM 1752 CG2 THR B 410 15.551 10.972 -2.478 1.00 0.00 C ATOM 0 H THR B 410 14.981 8.967 -6.237 1.00 0.00 H new ATOM 0 HA THR B 410 16.857 9.277 -3.994 1.00 0.00 H new ATOM 0 HB THR B 410 14.088 10.471 -3.975 1.00 0.00 H new ATOM 0 HG1 THR B 410 15.114 12.530 -4.457 1.00 0.00 H new ATOM 0 HG21 THR B 410 15.072 11.909 -2.192 1.00 0.00 H new ATOM 0 HG22 THR B 410 15.224 10.178 -1.807 1.00 0.00 H new ATOM 0 HG23 THR B 410 16.633 11.082 -2.409 1.00 0.00 H new ATOM 1760 N VAL B 411 15.721 7.386 -2.851 1.00 0.00 N ATOM 1761 CA VAL B 411 15.088 6.249 -2.183 1.00 0.00 C ATOM 1762 C VAL B 411 14.796 6.584 -0.727 1.00 0.00 C ATOM 1763 O VAL B 411 15.695 6.564 0.113 1.00 0.00 O ATOM 1764 CB VAL B 411 15.984 4.999 -2.241 1.00 0.00 C ATOM 1765 CG1 VAL B 411 15.228 3.775 -1.746 1.00 0.00 C ATOM 1766 CG2 VAL B 411 16.491 4.779 -3.655 1.00 0.00 C ATOM 0 H VAL B 411 16.694 7.541 -2.587 1.00 0.00 H new ATOM 0 HA VAL B 411 14.155 6.039 -2.707 1.00 0.00 H new ATOM 0 HB VAL B 411 16.842 5.157 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL B 411 15.878 2.901 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL B 411 14.912 3.935 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL B 411 14.352 3.610 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL B 411 17.123 3.892 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL B 411 15.645 4.641 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL B 411 17.070 5.646 -3.973 1.00 0.00 H new ATOM 1776 N LEU B 412 13.536 6.878 -0.424 1.00 0.00 N ATOM 1777 CA LEU B 412 13.153 7.200 0.944 1.00 0.00 C ATOM 1778 C LEU B 412 13.439 6.017 1.851 1.00 0.00 C ATOM 1779 O LEU B 412 13.642 6.176 3.055 1.00 0.00 O ATOM 1780 CB LEU B 412 11.670 7.578 1.032 1.00 0.00 C ATOM 1781 CG LEU B 412 11.190 8.642 0.035 1.00 0.00 C ATOM 1782 CD1 LEU B 412 12.364 9.303 -0.673 1.00 0.00 C ATOM 1783 CD2 LEU B 412 10.235 8.029 -0.978 1.00 0.00 C ATOM 0 H LEU B 412 12.771 6.900 -1.099 1.00 0.00 H new ATOM 0 HA LEU B 412 13.741 8.059 1.268 1.00 0.00 H new ATOM 0 HB2 LEU B 412 11.076 6.676 0.886 1.00 0.00 H new ATOM 0 HB3 LEU B 412 11.465 7.935 2.041 1.00 0.00 H new ATOM 0 HG LEU B 412 10.659 9.412 0.595 1.00 0.00 H new ATOM 0 HD11 LEU B 412 11.992 10.052 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU B 412 13.009 9.783 0.063 1.00 0.00 H new ATOM 0 HD13 LEU B 412 12.932 8.549 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU B 412 9.904 8.797 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU B 412 10.745 7.236 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU B 412 9.371 7.615 -0.459 1.00 0.00 H new ATOM 1795 N GLY B 413 13.454 4.825 1.263 1.00 0.00 N ATOM 1796 CA GLY B 413 13.717 3.629 2.037 1.00 0.00 C ATOM 1797 C GLY B 413 13.333 2.363 1.299 1.00 0.00 C ATOM 1798 O GLY B 413 13.145 2.375 0.082 1.00 0.00 O ATOM 0 H GLY B 413 13.289 4.668 0.269 1.00 0.00 H new ATOM 0 HA2 GLY B 413 14.776 3.590 2.291 1.00 0.00 H new ATOM 0 HA3 GLY B 413 13.166 3.679 2.976 1.00 0.00 H new ATOM 1802 N THR B 414 13.223 1.267 2.039 1.00 0.00 N ATOM 1803 CA THR B 414 12.865 -0.016 1.445 1.00 0.00 C ATOM 1804 C THR B 414 12.336 -0.987 2.495 1.00 0.00 C ATOM 1805 O THR B 414 12.570 -0.816 3.691 1.00 0.00 O ATOM 1806 CB THR B 414 14.065 -0.648 0.711 1.00 0.00 C ATOM 1807 OG1 THR B 414 13.641 -1.634 -0.237 1.00 0.00 O ATOM 1808 CG2 THR B 414 15.021 -1.305 1.687 1.00 0.00 C ATOM 0 H THR B 414 13.376 1.240 3.047 1.00 0.00 H new ATOM 0 HA THR B 414 12.074 0.179 0.721 1.00 0.00 H new ATOM 0 HB THR B 414 14.571 0.164 0.189 1.00 0.00 H new ATOM 0 HG1 THR B 414 12.764 -1.385 -0.598 1.00 0.00 H new ATOM 0 HG21 THR B 414 15.857 -1.742 1.140 1.00 0.00 H new ATOM 0 HG22 THR B 414 15.396 -0.559 2.387 1.00 0.00 H new ATOM 0 HG23 THR B 414 14.499 -2.088 2.237 1.00 0.00 H new ATOM 1816 N GLY B 415 11.606 -2.000 2.036 1.00 0.00 N ATOM 1817 CA GLY B 415 11.041 -2.969 2.958 1.00 0.00 C ATOM 1818 C GLY B 415 10.837 -4.347 2.360 1.00 0.00 C ATOM 1819 O GLY B 415 10.880 -4.526 1.149 1.00 0.00 O ATOM 0 H GLY B 415 11.397 -2.166 1.052 1.00 0.00 H new ATOM 0 HA2 GLY B 415 11.696 -3.054 3.825 1.00 0.00 H new ATOM 0 HA3 GLY B 415 10.082 -2.596 3.318 1.00 0.00 H new ATOM 1823 N VAL B 416 10.622 -5.322 3.236 1.00 0.00 N ATOM 1824 CA VAL B 416 10.410 -6.703 2.820 1.00 0.00 C ATOM 1825 C VAL B 416 9.561 -7.468 3.836 1.00 0.00 C ATOM 1826 O VAL B 416 9.661 -7.240 5.041 1.00 0.00 O ATOM 1827 CB VAL B 416 11.754 -7.431 2.607 1.00 0.00 C ATOM 1828 CG1 VAL B 416 12.253 -8.072 3.895 1.00 0.00 C ATOM 1829 CG2 VAL B 416 11.625 -8.468 1.500 1.00 0.00 C ATOM 0 H VAL B 416 10.590 -5.180 4.245 1.00 0.00 H new ATOM 0 HA VAL B 416 9.872 -6.674 1.873 1.00 0.00 H new ATOM 0 HB VAL B 416 12.493 -6.689 2.305 1.00 0.00 H new ATOM 0 HG11 VAL B 416 13.201 -8.576 3.707 1.00 0.00 H new ATOM 0 HG12 VAL B 416 12.395 -7.302 4.653 1.00 0.00 H new ATOM 0 HG13 VAL B 416 11.520 -8.798 4.248 1.00 0.00 H new ATOM 0 HG21 VAL B 416 12.581 -8.973 1.361 1.00 0.00 H new ATOM 0 HG22 VAL B 416 10.864 -9.199 1.773 1.00 0.00 H new ATOM 0 HG23 VAL B 416 11.337 -7.975 0.571 1.00 0.00 H new ATOM 1839 N GLY B 417 8.727 -8.375 3.337 1.00 0.00 N ATOM 1840 CA GLY B 417 7.872 -9.163 4.209 1.00 0.00 C ATOM 1841 C GLY B 417 7.458 -10.475 3.570 1.00 0.00 C ATOM 1842 O GLY B 417 7.808 -10.738 2.421 1.00 0.00 O ATOM 0 H GLY B 417 8.627 -8.579 2.343 1.00 0.00 H new ATOM 0 HA2 GLY B 417 8.396 -9.365 5.143 1.00 0.00 H new ATOM 0 HA3 GLY B 417 6.982 -8.586 4.461 1.00 0.00 H new ATOM 1846 N ARG B 418 6.719 -11.299 4.312 1.00 0.00 N ATOM 1847 CA ARG B 418 6.269 -12.593 3.800 1.00 0.00 C ATOM 1848 C ARG B 418 4.935 -12.477 3.064 1.00 0.00 C ATOM 1849 O ARG B 418 4.758 -13.058 1.994 1.00 0.00 O ATOM 1850 CB ARG B 418 6.144 -13.610 4.940 1.00 0.00 C ATOM 1851 CG ARG B 418 5.728 -12.997 6.268 1.00 0.00 C ATOM 1852 CD ARG B 418 5.549 -14.061 7.340 1.00 0.00 C ATOM 1853 NE ARG B 418 4.421 -14.945 7.056 1.00 0.00 N ATOM 1854 CZ ARG B 418 4.110 -16.002 7.800 1.00 0.00 C ATOM 1855 NH1 ARG B 418 4.835 -16.301 8.870 1.00 0.00 N ATOM 1856 NH2 ARG B 418 3.073 -16.761 7.474 1.00 0.00 N ATOM 0 H ARG B 418 6.420 -11.095 5.266 1.00 0.00 H new ATOM 0 HA ARG B 418 7.020 -12.938 3.089 1.00 0.00 H new ATOM 0 HB2 ARG B 418 5.416 -14.370 4.658 1.00 0.00 H new ATOM 0 HB3 ARG B 418 7.100 -14.117 5.068 1.00 0.00 H new ATOM 0 HG2 ARG B 418 6.481 -12.278 6.590 1.00 0.00 H new ATOM 0 HG3 ARG B 418 4.796 -12.447 6.140 1.00 0.00 H new ATOM 0 HD2 ARG B 418 6.461 -14.652 7.419 1.00 0.00 H new ATOM 0 HD3 ARG B 418 5.397 -13.579 8.306 1.00 0.00 H new ATOM 0 HE ARG B 418 3.841 -14.740 6.243 1.00 0.00 H new ATOM 0 HH11 ARG B 418 5.633 -15.719 9.124 1.00 0.00 H new ATOM 0 HH12 ARG B 418 4.594 -17.113 9.439 1.00 0.00 H new ATOM 0 HH21 ARG B 418 2.513 -16.534 6.652 1.00 0.00 H new ATOM 0 HH22 ARG B 418 2.835 -17.572 8.045 1.00 0.00 H new ATOM 1870 N ASN B 419 4.000 -11.719 3.633 1.00 0.00 N ATOM 1871 CA ASN B 419 2.693 -11.534 3.014 1.00 0.00 C ATOM 1872 C ASN B 419 2.653 -10.211 2.274 1.00 0.00 C ATOM 1873 O ASN B 419 1.607 -9.579 2.193 1.00 0.00 O ATOM 1874 CB ASN B 419 1.581 -11.580 4.063 1.00 0.00 C ATOM 1875 CG ASN B 419 2.069 -11.212 5.450 1.00 0.00 C ATOM 1876 OD1 ASN B 419 2.050 -9.920 5.762 1.00 0.00 O flip ATOM 1877 ND2 ASN B 419 2.459 -12.078 6.234 1.00 0.00 N flip ATOM 0 H ASN B 419 4.124 -11.226 4.517 1.00 0.00 H new ATOM 0 HA ASN B 419 2.530 -12.347 2.307 1.00 0.00 H new ATOM 0 HB2 ASN B 419 0.783 -10.898 3.770 1.00 0.00 H new ATOM 0 HB3 ASN B 419 1.151 -12.581 4.087 1.00 0.00 H new ATOM 0 HD21 ASN B 419 2.457 -13.059 5.953 1.00 0.00 H new ATOM 0 HD22 ASN B 419 2.784 -11.815 7.164 1.00 0.00 H new ATOM 1884 N ILE B 420 3.806 -9.848 1.712 1.00 0.00 N ATOM 1885 CA ILE B 420 4.000 -8.623 0.918 1.00 0.00 C ATOM 1886 C ILE B 420 3.465 -7.335 1.568 1.00 0.00 C ATOM 1887 O ILE B 420 4.142 -6.316 1.544 1.00 0.00 O ATOM 1888 CB ILE B 420 3.424 -8.775 -0.497 1.00 0.00 C ATOM 1889 CG1 ILE B 420 1.949 -8.368 -0.556 1.00 0.00 C ATOM 1890 CG2 ILE B 420 3.602 -10.211 -0.961 1.00 0.00 C ATOM 1891 CD1 ILE B 420 1.738 -6.881 -0.727 1.00 0.00 C ATOM 0 H ILE B 420 4.655 -10.408 1.795 1.00 0.00 H new ATOM 0 HA ILE B 420 5.082 -8.504 0.867 1.00 0.00 H new ATOM 0 HB ILE B 420 3.967 -8.105 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE B 420 1.469 -8.892 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE B 420 1.454 -8.694 0.359 1.00 0.00 H new ATOM 0 HG21 ILE B 420 3.194 -10.322 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE B 420 4.663 -10.461 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE B 420 3.077 -10.881 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE B 420 0.670 -6.667 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE B 420 2.188 -6.351 0.112 1.00 0.00 H new ATOM 0 HD13 ILE B 420 2.204 -6.552 -1.656 1.00 0.00 H new ATOM 1903 N LYS B 421 2.261 -7.363 2.123 1.00 0.00 N ATOM 1904 CA LYS B 421 1.696 -6.183 2.749 1.00 0.00 C ATOM 1905 C LYS B 421 2.789 -5.503 3.573 1.00 0.00 C ATOM 1906 O LYS B 421 3.102 -4.332 3.357 1.00 0.00 O ATOM 1907 CB LYS B 421 0.479 -6.566 3.595 1.00 0.00 C ATOM 1908 CG LYS B 421 0.243 -5.672 4.789 1.00 0.00 C ATOM 1909 CD LYS B 421 1.193 -6.022 5.912 1.00 0.00 C ATOM 1910 CE LYS B 421 0.548 -5.842 7.277 1.00 0.00 C ATOM 1911 NZ LYS B 421 1.440 -6.304 8.376 1.00 0.00 N ATOM 0 H LYS B 421 1.661 -8.188 2.151 1.00 0.00 H new ATOM 0 HA LYS B 421 1.343 -5.478 1.997 1.00 0.00 H new ATOM 0 HB2 LYS B 421 -0.408 -6.548 2.962 1.00 0.00 H new ATOM 0 HB3 LYS B 421 0.602 -7.592 3.943 1.00 0.00 H new ATOM 0 HG2 LYS B 421 0.379 -4.629 4.502 1.00 0.00 H new ATOM 0 HG3 LYS B 421 -0.787 -5.777 5.131 1.00 0.00 H new ATOM 0 HD2 LYS B 421 1.523 -7.055 5.800 1.00 0.00 H new ATOM 0 HD3 LYS B 421 2.082 -5.394 5.845 1.00 0.00 H new ATOM 0 HE2 LYS B 421 0.302 -4.791 7.427 1.00 0.00 H new ATOM 0 HE3 LYS B 421 -0.389 -6.397 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS B 421 0.965 -6.165 9.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 421 1.655 -7.313 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 421 2.324 -5.757 8.359 1.00 0.00 H new ATOM 1925 N ILE B 422 3.390 -6.256 4.500 1.00 0.00 N ATOM 1926 CA ILE B 422 4.481 -5.725 5.330 1.00 0.00 C ATOM 1927 C ILE B 422 5.493 -5.015 4.445 1.00 0.00 C ATOM 1928 O ILE B 422 6.172 -4.089 4.867 1.00 0.00 O ATOM 1929 CB ILE B 422 5.239 -6.817 6.122 1.00 0.00 C ATOM 1930 CG1 ILE B 422 4.532 -8.170 6.034 1.00 0.00 C ATOM 1931 CG2 ILE B 422 5.415 -6.394 7.571 1.00 0.00 C ATOM 1932 CD1 ILE B 422 4.674 -8.829 4.678 1.00 0.00 C ATOM 0 H ILE B 422 3.144 -7.226 4.695 1.00 0.00 H new ATOM 0 HA ILE B 422 4.015 -5.048 6.046 1.00 0.00 H new ATOM 0 HB ILE B 422 6.224 -6.934 5.670 1.00 0.00 H new ATOM 0 HG12 ILE B 422 4.936 -8.834 6.798 1.00 0.00 H new ATOM 0 HG13 ILE B 422 3.473 -8.035 6.256 1.00 0.00 H new ATOM 0 HG21 ILE B 422 5.950 -7.173 8.115 1.00 0.00 H new ATOM 0 HG22 ILE B 422 5.985 -5.466 7.612 1.00 0.00 H new ATOM 0 HG23 ILE B 422 4.437 -6.240 8.026 1.00 0.00 H new ATOM 0 HD11 ILE B 422 4.150 -9.785 4.681 1.00 0.00 H new ATOM 0 HD12 ILE B 422 4.245 -8.183 3.913 1.00 0.00 H new ATOM 0 HD13 ILE B 422 5.730 -8.994 4.463 1.00 0.00 H new ATOM 1944 N ALA B 423 5.517 -5.425 3.192 1.00 0.00 N ATOM 1945 CA ALA B 423 6.375 -4.809 2.209 1.00 0.00 C ATOM 1946 C ALA B 423 5.753 -3.482 1.804 1.00 0.00 C ATOM 1947 O ALA B 423 6.411 -2.443 1.797 1.00 0.00 O ATOM 1948 CB ALA B 423 6.571 -5.715 1.002 1.00 0.00 C ATOM 0 H ALA B 423 4.945 -6.189 2.832 1.00 0.00 H new ATOM 0 HA ALA B 423 7.363 -4.640 2.636 1.00 0.00 H new ATOM 0 HB1 ALA B 423 7.222 -5.223 0.279 1.00 0.00 H new ATOM 0 HB2 ALA B 423 7.026 -6.653 1.321 1.00 0.00 H new ATOM 0 HB3 ALA B 423 5.605 -5.919 0.540 1.00 0.00 H new ATOM 1954 N GLY B 424 4.467 -3.534 1.476 1.00 0.00 N ATOM 1955 CA GLY B 424 3.750 -2.340 1.079 1.00 0.00 C ATOM 1956 C GLY B 424 3.678 -1.344 2.210 1.00 0.00 C ATOM 1957 O GLY B 424 4.050 -0.179 2.056 1.00 0.00 O ATOM 0 H GLY B 424 3.907 -4.387 1.479 1.00 0.00 H new ATOM 0 HA2 GLY B 424 4.244 -1.884 0.221 1.00 0.00 H new ATOM 0 HA3 GLY B 424 2.742 -2.607 0.761 1.00 0.00 H new ATOM 1961 N ILE B 425 3.211 -1.806 3.359 1.00 0.00 N ATOM 1962 CA ILE B 425 3.112 -0.948 4.523 1.00 0.00 C ATOM 1963 C ILE B 425 4.493 -0.504 4.977 1.00 0.00 C ATOM 1964 O ILE B 425 4.841 0.671 4.874 1.00 0.00 O ATOM 1965 CB ILE B 425 2.406 -1.655 5.686 1.00 0.00 C ATOM 1966 CG1 ILE B 425 1.294 -2.551 5.152 1.00 0.00 C ATOM 1967 CG2 ILE B 425 1.860 -0.632 6.669 1.00 0.00 C ATOM 1968 CD1 ILE B 425 0.538 -1.950 3.985 1.00 0.00 C ATOM 0 H ILE B 425 2.897 -2.765 3.508 1.00 0.00 H new ATOM 0 HA ILE B 425 2.522 -0.079 4.233 1.00 0.00 H new ATOM 0 HB ILE B 425 3.125 -2.280 6.215 1.00 0.00 H new ATOM 0 HG12 ILE B 425 1.724 -3.504 4.844 1.00 0.00 H new ATOM 0 HG13 ILE B 425 0.592 -2.764 5.958 1.00 0.00 H new ATOM 0 HG21 ILE B 425 1.361 -1.147 7.490 1.00 0.00 H new ATOM 0 HG22 ILE B 425 2.680 -0.031 7.062 1.00 0.00 H new ATOM 0 HG23 ILE B 425 1.147 0.017 6.160 1.00 0.00 H new ATOM 0 HD11 ILE B 425 -0.237 -2.643 3.658 1.00 0.00 H new ATOM 0 HD12 ILE B 425 0.079 -1.011 4.294 1.00 0.00 H new ATOM 0 HD13 ILE B 425 1.228 -1.763 3.162 1.00 0.00 H new ATOM 1980 N ARG B 426 5.273 -1.445 5.503 1.00 0.00 N ATOM 1981 CA ARG B 426 6.604 -1.114 5.989 1.00 0.00 C ATOM 1982 C ARG B 426 7.349 -0.271 4.958 1.00 0.00 C ATOM 1983 O ARG B 426 8.206 0.541 5.313 1.00 0.00 O ATOM 1984 CB ARG B 426 7.389 -2.375 6.385 1.00 0.00 C ATOM 1985 CG ARG B 426 8.383 -2.875 5.346 1.00 0.00 C ATOM 1986 CD ARG B 426 9.805 -2.739 5.854 1.00 0.00 C ATOM 1987 NE ARG B 426 10.397 -4.033 6.181 1.00 0.00 N ATOM 1988 CZ ARG B 426 11.541 -4.172 6.843 1.00 0.00 C ATOM 1989 NH1 ARG B 426 12.223 -3.099 7.224 1.00 0.00 N ATOM 1990 NH2 ARG B 426 12.007 -5.382 7.121 1.00 0.00 N ATOM 0 H ARG B 426 5.010 -2.426 5.602 1.00 0.00 H new ATOM 0 HA ARG B 426 6.503 -0.517 6.895 1.00 0.00 H new ATOM 0 HB2 ARG B 426 7.927 -2.172 7.311 1.00 0.00 H new ATOM 0 HB3 ARG B 426 6.678 -3.174 6.598 1.00 0.00 H new ATOM 0 HG2 ARG B 426 8.175 -3.918 5.109 1.00 0.00 H new ATOM 0 HG3 ARG B 426 8.266 -2.309 4.422 1.00 0.00 H new ATOM 0 HD2 ARG B 426 10.414 -2.243 5.098 1.00 0.00 H new ATOM 0 HD3 ARG B 426 9.814 -2.103 6.739 1.00 0.00 H new ATOM 0 HE ARG B 426 9.906 -4.876 5.885 1.00 0.00 H new ATOM 0 HH11 ARG B 426 11.869 -2.167 7.009 1.00 0.00 H new ATOM 0 HH12 ARG B 426 13.101 -3.207 7.732 1.00 0.00 H new ATOM 0 HH21 ARG B 426 11.487 -6.209 6.827 1.00 0.00 H new ATOM 0 HH22 ARG B 426 12.885 -5.486 7.629 1.00 0.00 H new ATOM 2004 N ALA B 427 6.973 -0.408 3.686 1.00 0.00 N ATOM 2005 CA ALA B 427 7.578 0.406 2.647 1.00 0.00 C ATOM 2006 C ALA B 427 7.285 1.859 2.971 1.00 0.00 C ATOM 2007 O ALA B 427 8.195 2.663 3.195 1.00 0.00 O ATOM 2008 CB ALA B 427 7.048 0.043 1.269 1.00 0.00 C ATOM 0 H ALA B 427 6.264 -1.065 3.360 1.00 0.00 H new ATOM 0 HA ALA B 427 8.653 0.228 2.621 1.00 0.00 H new ATOM 0 HB1 ALA B 427 7.524 0.674 0.518 1.00 0.00 H new ATOM 0 HB2 ALA B 427 7.270 -1.003 1.058 1.00 0.00 H new ATOM 0 HB3 ALA B 427 5.969 0.198 1.242 1.00 0.00 H new ATOM 2014 N ALA B 428 5.999 2.180 3.050 1.00 0.00 N ATOM 2015 CA ALA B 428 5.595 3.523 3.412 1.00 0.00 C ATOM 2016 C ALA B 428 6.297 3.885 4.712 1.00 0.00 C ATOM 2017 O ALA B 428 6.914 4.944 4.831 1.00 0.00 O ATOM 2018 CB ALA B 428 4.084 3.627 3.561 1.00 0.00 C ATOM 0 H ALA B 428 5.230 1.534 2.870 1.00 0.00 H new ATOM 0 HA ALA B 428 5.878 4.220 2.623 1.00 0.00 H new ATOM 0 HB1 ALA B 428 3.815 4.648 3.833 1.00 0.00 H new ATOM 0 HB2 ALA B 428 3.606 3.365 2.617 1.00 0.00 H new ATOM 0 HB3 ALA B 428 3.747 2.943 4.340 1.00 0.00 H new ATOM 2024 N GLU B 429 6.213 2.970 5.679 1.00 0.00 N ATOM 2025 CA GLU B 429 6.852 3.149 6.976 1.00 0.00 C ATOM 2026 C GLU B 429 8.333 3.476 6.808 1.00 0.00 C ATOM 2027 O GLU B 429 8.973 3.997 7.722 1.00 0.00 O ATOM 2028 CB GLU B 429 6.690 1.891 7.828 1.00 0.00 C ATOM 2029 CG GLU B 429 6.805 2.154 9.320 1.00 0.00 C ATOM 2030 CD GLU B 429 7.564 1.063 10.048 1.00 0.00 C ATOM 2031 OE1 GLU B 429 7.288 -0.127 9.789 1.00 0.00 O ATOM 2032 OE2 GLU B 429 8.436 1.399 10.877 1.00 0.00 O ATOM 0 H GLU B 429 5.703 2.092 5.583 1.00 0.00 H new ATOM 0 HA GLU B 429 6.366 3.984 7.481 1.00 0.00 H new ATOM 0 HB2 GLU B 429 5.719 1.442 7.619 1.00 0.00 H new ATOM 0 HB3 GLU B 429 7.447 1.163 7.535 1.00 0.00 H new ATOM 0 HG2 GLU B 429 7.307 3.109 9.479 1.00 0.00 H new ATOM 0 HG3 GLU B 429 5.806 2.244 9.747 1.00 0.00 H new ATOM 2039 N ASN B 430 8.868 3.188 5.624 1.00 0.00 N ATOM 2040 CA ASN B 430 10.264 3.477 5.326 1.00 0.00 C ATOM 2041 C ASN B 430 10.409 4.919 4.846 1.00 0.00 C ATOM 2042 O ASN B 430 11.405 5.583 5.132 1.00 0.00 O ATOM 2043 CB ASN B 430 10.802 2.517 4.264 1.00 0.00 C ATOM 2044 CG ASN B 430 10.618 1.062 4.650 1.00 0.00 C ATOM 2045 OD1 ASN B 430 10.462 0.195 3.791 1.00 0.00 O ATOM 2046 ND2 ASN B 430 10.631 0.786 5.950 1.00 0.00 N ATOM 0 H ASN B 430 8.354 2.755 4.857 1.00 0.00 H new ATOM 0 HA ASN B 430 10.845 3.343 6.239 1.00 0.00 H new ATOM 0 HB2 ASN B 430 10.295 2.706 3.318 1.00 0.00 H new ATOM 0 HB3 ASN B 430 11.862 2.716 4.103 1.00 0.00 H new ATOM 0 HD21 ASN B 430 10.509 -0.175 6.269 1.00 0.00 H new ATOM 0 HD22 ASN B 430 10.763 1.535 6.629 1.00 0.00 H new ATOM 2053 N ALA B 431 9.410 5.396 4.100 1.00 0.00 N ATOM 2054 CA ALA B 431 9.436 6.756 3.566 1.00 0.00 C ATOM 2055 C ALA B 431 9.334 7.801 4.675 1.00 0.00 C ATOM 2056 O ALA B 431 9.961 8.858 4.604 1.00 0.00 O ATOM 2057 CB ALA B 431 8.326 6.963 2.548 1.00 0.00 C ATOM 0 H ALA B 431 8.577 4.862 3.854 1.00 0.00 H new ATOM 0 HA ALA B 431 10.397 6.886 3.068 1.00 0.00 H new ATOM 0 HB1 ALA B 431 8.368 7.983 2.166 1.00 0.00 H new ATOM 0 HB2 ALA B 431 8.453 6.262 1.723 1.00 0.00 H new ATOM 0 HB3 ALA B 431 7.360 6.793 3.023 1.00 0.00 H new ATOM 2063 N LEU B 432 8.549 7.497 5.701 1.00 0.00 N ATOM 2064 CA LEU B 432 8.387 8.422 6.821 1.00 0.00 C ATOM 2065 C LEU B 432 9.365 8.092 7.941 1.00 0.00 C ATOM 2066 O LEU B 432 9.242 8.598 9.057 1.00 0.00 O ATOM 2067 CB LEU B 432 6.946 8.432 7.348 1.00 0.00 C ATOM 2068 CG LEU B 432 6.341 7.073 7.696 1.00 0.00 C ATOM 2069 CD1 LEU B 432 5.672 6.467 6.474 1.00 0.00 C ATOM 2070 CD2 LEU B 432 7.400 6.139 8.258 1.00 0.00 C ATOM 0 H LEU B 432 8.020 6.629 5.783 1.00 0.00 H new ATOM 0 HA LEU B 432 8.608 9.423 6.450 1.00 0.00 H new ATOM 0 HB2 LEU B 432 6.912 9.059 8.239 1.00 0.00 H new ATOM 0 HB3 LEU B 432 6.312 8.907 6.600 1.00 0.00 H new ATOM 0 HG LEU B 432 5.583 7.217 8.466 1.00 0.00 H new ATOM 0 HD11 LEU B 432 5.245 5.499 6.736 1.00 0.00 H new ATOM 0 HD12 LEU B 432 4.880 7.131 6.126 1.00 0.00 H new ATOM 0 HD13 LEU B 432 6.410 6.336 5.683 1.00 0.00 H new ATOM 0 HD21 LEU B 432 6.946 5.178 8.499 1.00 0.00 H new ATOM 0 HD22 LEU B 432 8.187 5.994 7.518 1.00 0.00 H new ATOM 0 HD23 LEU B 432 7.827 6.575 9.161 1.00 0.00 H new ATOM 2082 N ARG B 433 10.333 7.235 7.638 1.00 0.00 N ATOM 2083 CA ARG B 433 11.328 6.833 8.625 1.00 0.00 C ATOM 2084 C ARG B 433 12.505 7.804 8.651 1.00 0.00 C ATOM 2085 O ARG B 433 13.332 7.762 9.561 1.00 0.00 O ATOM 2086 CB ARG B 433 11.827 5.417 8.327 1.00 0.00 C ATOM 2087 CG ARG B 433 12.212 4.633 9.570 1.00 0.00 C ATOM 2088 CD ARG B 433 11.831 3.166 9.446 1.00 0.00 C ATOM 2089 NE ARG B 433 11.748 2.514 10.749 1.00 0.00 N ATOM 2090 CZ ARG B 433 10.845 2.828 11.673 1.00 0.00 C ATOM 2091 NH1 ARG B 433 9.951 3.776 11.431 1.00 0.00 N ATOM 2092 NH2 ARG B 433 10.836 2.194 12.837 1.00 0.00 N ATOM 0 H ARG B 433 10.450 6.806 6.720 1.00 0.00 H new ATOM 0 HA ARG B 433 10.852 6.848 9.605 1.00 0.00 H new ATOM 0 HB2 ARG B 433 11.050 4.872 7.791 1.00 0.00 H new ATOM 0 HB3 ARG B 433 12.690 5.477 7.664 1.00 0.00 H new ATOM 0 HG2 ARG B 433 13.286 4.718 9.737 1.00 0.00 H new ATOM 0 HG3 ARG B 433 11.719 5.065 10.441 1.00 0.00 H new ATOM 0 HD2 ARG B 433 10.871 3.082 8.936 1.00 0.00 H new ATOM 0 HD3 ARG B 433 12.566 2.651 8.828 1.00 0.00 H new ATOM 0 HE ARG B 433 12.420 1.777 10.963 1.00 0.00 H new ATOM 0 HH11 ARG B 433 9.956 4.265 10.536 1.00 0.00 H new ATOM 0 HH12 ARG B 433 9.258 4.017 12.140 1.00 0.00 H new ATOM 0 HH21 ARG B 433 11.523 1.464 13.025 1.00 0.00 H new ATOM 0 HH22 ARG B 433 10.142 2.436 13.544 1.00 0.00 H new ATOM 2106 N ASP B 434 12.583 8.671 7.645 1.00 0.00 N ATOM 2107 CA ASP B 434 13.673 9.636 7.562 1.00 0.00 C ATOM 2108 C ASP B 434 13.170 11.061 7.757 1.00 0.00 C ATOM 2109 O ASP B 434 12.752 11.719 6.805 1.00 0.00 O ATOM 2110 CB ASP B 434 14.383 9.512 6.214 1.00 0.00 C ATOM 2111 CG ASP B 434 15.126 8.197 6.073 1.00 0.00 C ATOM 2112 OD1 ASP B 434 14.884 7.288 6.893 1.00 0.00 O ATOM 2113 OD2 ASP B 434 15.949 8.077 5.141 1.00 0.00 O ATOM 0 H ASP B 434 11.909 8.725 6.881 1.00 0.00 H new ATOM 0 HA ASP B 434 14.378 9.415 8.363 1.00 0.00 H new ATOM 0 HB2 ASP B 434 13.651 9.601 5.411 1.00 0.00 H new ATOM 0 HB3 ASP B 434 15.085 10.338 6.098 1.00 0.00 H new ATOM 2118 N LYS B 435 13.222 11.536 8.998 1.00 0.00 N ATOM 2119 CA LYS B 435 12.781 12.888 9.316 1.00 0.00 C ATOM 2120 C LYS B 435 13.555 13.908 8.487 1.00 0.00 C ATOM 2121 O LYS B 435 12.969 14.776 7.845 1.00 0.00 O ATOM 2122 CB LYS B 435 12.975 13.177 10.807 1.00 0.00 C ATOM 2123 CG LYS B 435 14.371 13.669 11.150 1.00 0.00 C ATOM 2124 CD LYS B 435 14.490 14.040 12.618 1.00 0.00 C ATOM 2125 CE LYS B 435 13.682 15.284 12.943 1.00 0.00 C ATOM 2126 NZ LYS B 435 14.260 16.502 12.311 1.00 0.00 N ATOM 0 H LYS B 435 13.565 11.005 9.798 1.00 0.00 H new ATOM 0 HA LYS B 435 11.721 12.968 9.076 1.00 0.00 H new ATOM 0 HB2 LYS B 435 12.247 13.924 11.122 1.00 0.00 H new ATOM 0 HB3 LYS B 435 12.768 12.270 11.375 1.00 0.00 H new ATOM 0 HG2 LYS B 435 15.099 12.894 10.910 1.00 0.00 H new ATOM 0 HG3 LYS B 435 14.613 14.536 10.535 1.00 0.00 H new ATOM 0 HD2 LYS B 435 14.145 13.209 13.234 1.00 0.00 H new ATOM 0 HD3 LYS B 435 15.537 14.209 12.868 1.00 0.00 H new ATOM 0 HE2 LYS B 435 12.656 15.150 12.601 1.00 0.00 H new ATOM 0 HE3 LYS B 435 13.643 15.419 14.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 435 13.835 17.350 12.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 435 15.289 16.517 12.463 1.00 0.00 H new ATOM 0 HZ3 LYS B 435 14.061 16.491 11.290 1.00 0.00 H new ATOM 2140 N LYS B 436 14.877 13.789 8.508 1.00 0.00 N ATOM 2141 CA LYS B 436 15.739 14.693 7.761 1.00 0.00 C ATOM 2142 C LYS B 436 15.298 14.774 6.302 1.00 0.00 C ATOM 2143 O LYS B 436 15.205 15.861 5.733 1.00 0.00 O ATOM 2144 CB LYS B 436 17.193 14.226 7.849 1.00 0.00 C ATOM 2145 CG LYS B 436 17.633 13.875 9.262 1.00 0.00 C ATOM 2146 CD LYS B 436 17.873 12.382 9.418 1.00 0.00 C ATOM 2147 CE LYS B 436 17.372 11.876 10.760 1.00 0.00 C ATOM 2148 NZ LYS B 436 18.480 11.344 11.601 1.00 0.00 N ATOM 0 H LYS B 436 15.375 13.073 9.036 1.00 0.00 H new ATOM 0 HA LYS B 436 15.660 15.688 8.200 1.00 0.00 H new ATOM 0 HB2 LYS B 436 17.326 13.354 7.209 1.00 0.00 H new ATOM 0 HB3 LYS B 436 17.842 15.010 7.459 1.00 0.00 H new ATOM 0 HG2 LYS B 436 18.546 14.418 9.505 1.00 0.00 H new ATOM 0 HG3 LYS B 436 16.871 14.198 9.972 1.00 0.00 H new ATOM 0 HD2 LYS B 436 17.369 11.845 8.614 1.00 0.00 H new ATOM 0 HD3 LYS B 436 18.938 12.172 9.323 1.00 0.00 H new ATOM 0 HE2 LYS B 436 16.871 12.686 11.290 1.00 0.00 H new ATOM 0 HE3 LYS B 436 16.630 11.094 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 436 18.097 11.009 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 436 18.942 10.554 11.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 436 19.175 12.097 11.776 1.00 0.00 H new ATOM 2162 N MET B 437 15.021 13.618 5.707 1.00 0.00 N ATOM 2163 CA MET B 437 14.582 13.559 4.317 1.00 0.00 C ATOM 2164 C MET B 437 13.146 14.062 4.195 1.00 0.00 C ATOM 2165 O MET B 437 12.826 14.868 3.320 1.00 0.00 O ATOM 2166 CB MET B 437 14.685 12.125 3.790 1.00 0.00 C ATOM 2167 CG MET B 437 13.992 11.912 2.456 1.00 0.00 C ATOM 2168 SD MET B 437 13.164 10.314 2.350 1.00 0.00 S ATOM 2169 CE MET B 437 11.470 10.787 2.687 1.00 0.00 C ATOM 0 H MET B 437 15.093 12.710 6.165 1.00 0.00 H new ATOM 0 HA MET B 437 15.230 14.200 3.719 1.00 0.00 H new ATOM 0 HB2 MET B 437 15.737 11.860 3.689 1.00 0.00 H new ATOM 0 HB3 MET B 437 14.254 11.446 4.525 1.00 0.00 H new ATOM 0 HG2 MET B 437 13.262 12.706 2.300 1.00 0.00 H new ATOM 0 HG3 MET B 437 14.725 11.991 1.653 1.00 0.00 H new ATOM 0 HE1 MET B 437 10.838 9.899 2.692 1.00 0.00 H new ATOM 0 HE2 MET B 437 11.415 11.276 3.659 1.00 0.00 H new ATOM 0 HE3 MET B 437 11.124 11.474 1.915 1.00 0.00 H new ATOM 2179 N LEU B 438 12.287 13.580 5.083 1.00 0.00 N ATOM 2180 CA LEU B 438 10.885 13.977 5.092 1.00 0.00 C ATOM 2181 C LEU B 438 10.756 15.493 5.152 1.00 0.00 C ATOM 2182 O LEU B 438 10.201 16.124 4.250 1.00 0.00 O ATOM 2183 CB LEU B 438 10.180 13.361 6.295 1.00 0.00 C ATOM 2184 CG LEU B 438 9.886 11.867 6.184 1.00 0.00 C ATOM 2185 CD1 LEU B 438 9.423 11.334 7.524 1.00 0.00 C ATOM 2186 CD2 LEU B 438 8.839 11.617 5.109 1.00 0.00 C ATOM 0 H LEU B 438 12.538 12.910 5.810 1.00 0.00 H new ATOM 0 HA LEU B 438 10.421 13.620 4.172 1.00 0.00 H new ATOM 0 HB2 LEU B 438 10.793 13.529 7.180 1.00 0.00 H new ATOM 0 HB3 LEU B 438 9.240 13.889 6.454 1.00 0.00 H new ATOM 0 HG LEU B 438 10.797 11.341 5.899 1.00 0.00 H new ATOM 0 HD11 LEU B 438 9.215 10.267 7.439 1.00 0.00 H new ATOM 0 HD12 LEU B 438 10.203 11.493 8.268 1.00 0.00 H new ATOM 0 HD13 LEU B 438 8.517 11.857 7.830 1.00 0.00 H new ATOM 0 HD21 LEU B 438 8.638 10.548 5.039 1.00 0.00 H new ATOM 0 HD22 LEU B 438 7.920 12.143 5.367 1.00 0.00 H new ATOM 0 HD23 LEU B 438 9.208 11.980 4.150 1.00 0.00 H new ATOM 2198 N ASP B 439 11.291 16.071 6.220 1.00 0.00 N ATOM 2199 CA ASP B 439 11.259 17.511 6.403 1.00 0.00 C ATOM 2200 C ASP B 439 11.859 18.191 5.184 1.00 0.00 C ATOM 2201 O ASP B 439 11.316 19.171 4.668 1.00 0.00 O ATOM 2202 CB ASP B 439 12.030 17.907 7.663 1.00 0.00 C ATOM 2203 CG ASP B 439 11.845 19.369 8.017 1.00 0.00 C ATOM 2204 OD1 ASP B 439 10.793 19.711 8.598 1.00 0.00 O ATOM 2205 OD2 ASP B 439 12.750 20.174 7.713 1.00 0.00 O ATOM 0 H ASP B 439 11.753 15.561 6.973 1.00 0.00 H new ATOM 0 HA ASP B 439 10.224 17.832 6.520 1.00 0.00 H new ATOM 0 HB2 ASP B 439 11.699 17.289 8.498 1.00 0.00 H new ATOM 0 HB3 ASP B 439 13.091 17.703 7.516 1.00 0.00 H new ATOM 2210 N PHE B 440 12.982 17.652 4.723 1.00 0.00 N ATOM 2211 CA PHE B 440 13.651 18.202 3.552 1.00 0.00 C ATOM 2212 C PHE B 440 12.602 18.515 2.496 1.00 0.00 C ATOM 2213 O PHE B 440 12.603 19.587 1.883 1.00 0.00 O ATOM 2214 CB PHE B 440 14.697 17.218 3.016 1.00 0.00 C ATOM 2215 CG PHE B 440 14.885 17.272 1.525 1.00 0.00 C ATOM 2216 CD1 PHE B 440 15.128 18.478 0.888 1.00 0.00 C ATOM 2217 CD2 PHE B 440 14.819 16.117 0.765 1.00 0.00 C ATOM 2218 CE1 PHE B 440 15.301 18.530 -0.482 1.00 0.00 C ATOM 2219 CE2 PHE B 440 14.992 16.162 -0.606 1.00 0.00 C ATOM 2220 CZ PHE B 440 15.234 17.369 -1.230 1.00 0.00 C ATOM 0 H PHE B 440 13.444 16.843 5.138 1.00 0.00 H new ATOM 0 HA PHE B 440 14.176 19.118 3.822 1.00 0.00 H new ATOM 0 HB2 PHE B 440 15.653 17.422 3.499 1.00 0.00 H new ATOM 0 HB3 PHE B 440 14.406 16.206 3.298 1.00 0.00 H new ATOM 0 HD1 PHE B 440 15.183 19.387 1.468 1.00 0.00 H new ATOM 0 HD2 PHE B 440 14.630 15.170 1.248 1.00 0.00 H new ATOM 0 HE1 PHE B 440 15.488 19.476 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE B 440 14.938 15.254 -1.188 1.00 0.00 H new ATOM 0 HZ PHE B 440 15.371 17.407 -2.301 1.00 0.00 H new ATOM 2230 N TYR B 441 11.692 17.569 2.307 1.00 0.00 N ATOM 2231 CA TYR B 441 10.616 17.730 1.349 1.00 0.00 C ATOM 2232 C TYR B 441 9.702 18.865 1.769 1.00 0.00 C ATOM 2233 O TYR B 441 9.318 19.692 0.945 1.00 0.00 O ATOM 2234 CB TYR B 441 9.839 16.428 1.202 1.00 0.00 C ATOM 2235 CG TYR B 441 10.591 15.416 0.380 1.00 0.00 C ATOM 2236 CD1 TYR B 441 10.712 15.574 -0.992 1.00 0.00 C ATOM 2237 CD2 TYR B 441 11.201 14.324 0.975 1.00 0.00 C ATOM 2238 CE1 TYR B 441 11.415 14.668 -1.753 1.00 0.00 C ATOM 2239 CE2 TYR B 441 11.911 13.411 0.223 1.00 0.00 C ATOM 2240 CZ TYR B 441 12.016 13.585 -1.142 1.00 0.00 C ATOM 2241 OH TYR B 441 12.723 12.678 -1.897 1.00 0.00 O ATOM 0 H TYR B 441 11.681 16.681 2.808 1.00 0.00 H new ATOM 0 HA TYR B 441 11.044 17.981 0.378 1.00 0.00 H new ATOM 0 HB2 TYR B 441 9.634 16.014 2.189 1.00 0.00 H new ATOM 0 HB3 TYR B 441 8.875 16.631 0.735 1.00 0.00 H new ATOM 0 HD1 TYR B 441 10.247 16.422 -1.472 1.00 0.00 H new ATOM 0 HD2 TYR B 441 11.120 14.185 2.043 1.00 0.00 H new ATOM 0 HE1 TYR B 441 11.496 14.803 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR B 441 12.382 12.564 0.700 1.00 0.00 H new ATOM 0 HH TYR B 441 13.083 11.977 -1.314 1.00 0.00 H new ATOM 2251 N ALA B 442 9.375 18.931 3.060 1.00 0.00 N ATOM 2252 CA ALA B 442 8.531 20.008 3.552 1.00 0.00 C ATOM 2253 C ALA B 442 8.971 21.313 2.908 1.00 0.00 C ATOM 2254 O ALA B 442 8.211 21.946 2.172 1.00 0.00 O ATOM 2255 CB ALA B 442 8.596 20.114 5.068 1.00 0.00 C ATOM 0 H ALA B 442 9.677 18.263 3.769 1.00 0.00 H new ATOM 0 HA ALA B 442 7.496 19.795 3.286 1.00 0.00 H new ATOM 0 HB1 ALA B 442 7.954 20.928 5.404 1.00 0.00 H new ATOM 0 HB2 ALA B 442 8.258 19.178 5.513 1.00 0.00 H new ATOM 0 HB3 ALA B 442 9.623 20.311 5.375 1.00 0.00 H new ATOM 2261 N LYS B 443 10.216 21.700 3.172 1.00 0.00 N ATOM 2262 CA LYS B 443 10.762 22.915 2.592 1.00 0.00 C ATOM 2263 C LYS B 443 10.488 22.923 1.096 1.00 0.00 C ATOM 2264 O LYS B 443 10.041 23.926 0.539 1.00 0.00 O ATOM 2265 CB LYS B 443 12.265 23.017 2.854 1.00 0.00 C ATOM 2266 CG LYS B 443 12.976 23.986 1.925 1.00 0.00 C ATOM 2267 CD LYS B 443 14.478 23.979 2.151 1.00 0.00 C ATOM 2268 CE LYS B 443 14.822 24.125 3.626 1.00 0.00 C ATOM 2269 NZ LYS B 443 14.493 25.483 4.141 1.00 0.00 N ATOM 0 H LYS B 443 10.859 21.192 3.780 1.00 0.00 H new ATOM 0 HA LYS B 443 10.281 23.776 3.057 1.00 0.00 H new ATOM 0 HB2 LYS B 443 12.426 23.330 3.886 1.00 0.00 H new ATOM 0 HB3 LYS B 443 12.713 22.029 2.748 1.00 0.00 H new ATOM 0 HG2 LYS B 443 12.762 23.721 0.890 1.00 0.00 H new ATOM 0 HG3 LYS B 443 12.589 24.993 2.083 1.00 0.00 H new ATOM 0 HD2 LYS B 443 14.900 23.050 1.768 1.00 0.00 H new ATOM 0 HD3 LYS B 443 14.935 24.792 1.588 1.00 0.00 H new ATOM 0 HE2 LYS B 443 14.277 23.377 4.202 1.00 0.00 H new ATOM 0 HE3 LYS B 443 15.884 23.929 3.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 443 14.742 25.542 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 443 15.032 26.196 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 443 13.475 25.661 4.025 1.00 0.00 H new ATOM 2283 N GLN B 444 10.743 21.784 0.451 1.00 0.00 N ATOM 2284 CA GLN B 444 10.504 21.643 -0.980 1.00 0.00 C ATOM 2285 C GLN B 444 9.012 21.749 -1.298 1.00 0.00 C ATOM 2286 O GLN B 444 8.618 21.808 -2.463 1.00 0.00 O ATOM 2287 CB GLN B 444 11.047 20.296 -1.465 1.00 0.00 C ATOM 2288 CG GLN B 444 12.463 20.374 -2.011 1.00 0.00 C ATOM 2289 CD GLN B 444 12.571 19.788 -3.402 1.00 0.00 C ATOM 2290 OE1 GLN B 444 11.787 18.750 -3.664 1.00 0.00 O flip ATOM 2291 NE2 GLN B 444 13.349 20.262 -4.230 1.00 0.00 N flip ATOM 0 H GLN B 444 11.115 20.947 0.900 1.00 0.00 H new ATOM 0 HA GLN B 444 11.021 22.451 -1.497 1.00 0.00 H new ATOM 0 HB2 GLN B 444 11.023 19.585 -0.639 1.00 0.00 H new ATOM 0 HB3 GLN B 444 10.388 19.906 -2.241 1.00 0.00 H new ATOM 0 HG2 GLN B 444 12.786 21.415 -2.031 1.00 0.00 H new ATOM 0 HG3 GLN B 444 13.139 19.843 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN B 444 13.932 21.061 -3.983 1.00 0.00 H new ATOM 0 HE22 GLN B 444 13.410 19.855 -5.163 1.00 0.00 H new ATOM 2300 N ARG B 445 8.188 21.785 -0.251 1.00 0.00 N ATOM 2301 CA ARG B 445 6.743 21.897 -0.409 1.00 0.00 C ATOM 2302 C ARG B 445 6.325 23.362 -0.443 1.00 0.00 C ATOM 2303 O ARG B 445 5.514 23.770 -1.272 1.00 0.00 O ATOM 2304 CB ARG B 445 6.023 21.175 0.733 1.00 0.00 C ATOM 2305 CG ARG B 445 4.853 20.321 0.275 1.00 0.00 C ATOM 2306 CD ARG B 445 4.109 20.967 -0.883 1.00 0.00 C ATOM 2307 NE ARG B 445 2.667 20.990 -0.661 1.00 0.00 N ATOM 2308 CZ ARG B 445 2.080 21.705 0.293 1.00 0.00 C ATOM 2309 NH1 ARG B 445 2.808 22.459 1.106 1.00 0.00 N ATOM 2310 NH2 ARG B 445 0.761 21.666 0.436 1.00 0.00 N ATOM 0 H ARG B 445 8.501 21.738 0.719 1.00 0.00 H new ATOM 0 HA ARG B 445 6.463 21.429 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG B 445 6.738 20.543 1.260 1.00 0.00 H new ATOM 0 HB3 ARG B 445 5.663 21.914 1.449 1.00 0.00 H new ATOM 0 HG2 ARG B 445 5.215 19.338 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG B 445 4.167 20.166 1.108 1.00 0.00 H new ATOM 0 HD2 ARG B 445 4.471 21.986 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG B 445 4.326 20.423 -1.802 1.00 0.00 H new ATOM 0 HE ARG B 445 2.077 20.426 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG B 445 3.822 22.491 1.000 1.00 0.00 H new ATOM 0 HH12 ARG B 445 2.354 23.006 1.837 1.00 0.00 H new ATOM 0 HH21 ARG B 445 0.197 21.087 -0.187 1.00 0.00 H new ATOM 0 HH22 ARG B 445 0.311 22.215 1.168 1.00 0.00 H new ATOM 2324 N ALA B 446 6.892 24.152 0.463 1.00 0.00 N ATOM 2325 CA ALA B 446 6.584 25.574 0.530 1.00 0.00 C ATOM 2326 C ALA B 446 7.410 26.350 -0.491 1.00 0.00 C ATOM 2327 O ALA B 446 6.956 27.353 -1.041 1.00 0.00 O ATOM 2328 CB ALA B 446 6.828 26.121 1.929 1.00 0.00 C ATOM 0 H ALA B 446 7.565 23.832 1.159 1.00 0.00 H new ATOM 0 HA ALA B 446 5.527 25.699 0.294 1.00 0.00 H new ATOM 0 HB1 ALA B 446 6.590 27.185 1.950 1.00 0.00 H new ATOM 0 HB2 ALA B 446 6.194 25.593 2.642 1.00 0.00 H new ATOM 0 HB3 ALA B 446 7.874 25.978 2.198 1.00 0.00 H new ATOM 2334 N ALA B 447 8.626 25.874 -0.739 1.00 0.00 N ATOM 2335 CA ALA B 447 9.519 26.517 -1.692 1.00 0.00 C ATOM 2336 C ALA B 447 8.887 26.521 -3.071 1.00 0.00 C ATOM 2337 O ALA B 447 8.685 27.574 -3.675 1.00 0.00 O ATOM 2338 CB ALA B 447 10.875 25.825 -1.733 1.00 0.00 C ATOM 0 H ALA B 447 9.015 25.044 -0.292 1.00 0.00 H new ATOM 0 HA ALA B 447 9.680 27.545 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA B 447 11.519 26.329 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA B 447 11.334 25.866 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA B 447 10.744 24.784 -2.029 1.00 0.00 H new