USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 465 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: A 483 THR OG1 : rot 10:sc= -0.466 USER MOD Set 1.2: A 486 THR OG1 : rot 129:sc= 1.35 USER MOD Set 2.1: A 460 CYS SG : rot -165:sc= 0.0202 USER MOD Set 2.2: A 469 CYS SG : rot -167:sc= 1.05 USER MOD Set 2.3: A 471 ASN : amide:sc= 0.342 X(o=2.3,f=2.2) USER MOD Set 2.4: A 475 CYS SG : rot 75:sc= 1.07 USER MOD Set 2.5: A 479 HIS : no HD1:sc= -0.19 X(o=2.3,f=2.1) USER MOD Set 3.1: A 437 CYS SG : rot 121:sc= 1.52 USER MOD Set 3.2: A 445 CYS SG : rot -92:sc= 1.11 USER MOD Set 3.3: A 451 CYS SG : rot -158:sc= 0.811 USER MOD Set 3.4: A 455 HIS : no HE2:sc= -0.614 K(o=2.8,f=-1.3) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 LYS NZ :NH3+ 163:sc=-0.00818 (180deg=-0.144) USER MOD Single : A 440 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot -24:sc= 0.423 USER MOD Single : A 450 ASN : amide:sc= -0.0838 X(o=-0.084,f=0) USER MOD Single : A 453 TYR OH : rot 180:sc= 0 USER MOD Single : A 454 MET CE :methyl -175:sc= -0.0101 (180deg=-0.0589) USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 HIS : no HE2:sc= -5.66! C(o=-5.7!,f=-7.4!) USER MOD Single : A 465 THR OG1 : rot -38:sc= 0.44 USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 468 ASN : amide:sc= -2.18! C(o=-2.2!,f=-2.8!) USER MOD Single : A 476 MET CE :methyl 154:sc= -0.228 (180deg=-1.11) USER MOD Single : A 478 SER OG : rot 107:sc= 0.0706 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 MET CE :methyl -117:sc= 0 (180deg=-0.199) USER MOD ----------------------------------------------------------------- ATOM 136 N LYS A 433 9.654 -11.261 -11.777 1.00 0.00 N ATOM 137 CA LYS A 433 9.877 -9.971 -11.136 1.00 0.00 C ATOM 138 C LYS A 433 9.390 -9.989 -9.690 1.00 0.00 C ATOM 139 O LYS A 433 8.434 -10.690 -9.357 1.00 0.00 O ATOM 140 CB LYS A 433 9.163 -8.862 -11.912 1.00 0.00 C ATOM 141 CG LYS A 433 10.030 -8.208 -12.974 1.00 0.00 C ATOM 142 CD LYS A 433 9.199 -7.723 -14.151 1.00 0.00 C ATOM 143 CE LYS A 433 10.071 -7.100 -15.230 1.00 0.00 C ATOM 144 NZ LYS A 433 10.548 -8.113 -16.211 1.00 0.00 N ATOM 0 HA LYS A 433 10.949 -9.774 -11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 433 8.273 -9.277 -12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 433 8.825 -8.099 -11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 433 10.570 -7.368 -12.538 1.00 0.00 H new ATOM 0 HG3 LYS A 433 10.778 -8.920 -13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 433 8.639 -8.559 -14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 433 8.468 -6.992 -13.805 1.00 0.00 H new ATOM 0 HE2 LYS A 433 9.507 -6.327 -15.752 1.00 0.00 H new ATOM 0 HE3 LYS A 433 10.928 -6.611 -14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 11.139 -7.649 -16.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 11.108 -8.837 -15.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 9.731 -8.562 -16.672 1.00 0.00 H new ATOM 158 N ARG A 434 10.052 -9.215 -8.837 1.00 0.00 N ATOM 159 CA ARG A 434 9.685 -9.143 -7.428 1.00 0.00 C ATOM 160 C ARG A 434 9.343 -7.711 -7.028 1.00 0.00 C ATOM 161 O ARG A 434 9.750 -7.239 -5.967 1.00 0.00 O ATOM 162 CB ARG A 434 10.826 -9.669 -6.555 1.00 0.00 C ATOM 163 CG ARG A 434 10.886 -11.186 -6.481 1.00 0.00 C ATOM 164 CD ARG A 434 11.485 -11.782 -7.745 1.00 0.00 C ATOM 165 NE ARG A 434 12.069 -13.099 -7.506 1.00 0.00 N ATOM 166 CZ ARG A 434 11.365 -14.225 -7.496 1.00 0.00 C ATOM 167 NH1 ARG A 434 10.057 -14.194 -7.711 1.00 0.00 N ATOM 168 NH2 ARG A 434 11.968 -15.385 -7.271 1.00 0.00 N ATOM 0 H ARG A 434 10.845 -8.629 -9.097 1.00 0.00 H new ATOM 0 HA ARG A 434 8.803 -9.765 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 434 11.773 -9.295 -6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 434 10.716 -9.268 -5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 434 11.481 -11.486 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 434 9.883 -11.584 -6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 434 10.712 -11.862 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 434 12.251 -11.111 -8.134 1.00 0.00 H new ATOM 0 HE ARG A 434 13.073 -13.157 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 434 9.590 -13.304 -7.885 1.00 0.00 H new ATOM 0 HH12 ARG A 434 9.518 -15.060 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 434 12.974 -15.413 -7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 434 11.426 -16.249 -7.264 1.00 0.00 H new ATOM 182 N GLU A 435 8.594 -7.025 -7.885 1.00 0.00 N ATOM 183 CA GLU A 435 8.199 -5.646 -7.621 1.00 0.00 C ATOM 184 C GLU A 435 6.683 -5.530 -7.488 1.00 0.00 C ATOM 185 O GLU A 435 5.936 -6.310 -8.080 1.00 0.00 O ATOM 186 CB GLU A 435 8.696 -4.727 -8.738 1.00 0.00 C ATOM 187 CG GLU A 435 10.199 -4.504 -8.720 1.00 0.00 C ATOM 188 CD GLU A 435 10.657 -3.709 -7.512 1.00 0.00 C ATOM 189 OE1 GLU A 435 10.649 -4.268 -6.396 1.00 0.00 O ATOM 190 OE2 GLU A 435 11.022 -2.527 -7.684 1.00 0.00 O ATOM 0 H GLU A 435 8.248 -7.401 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 435 8.653 -5.339 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 435 8.412 -5.153 -9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 435 8.193 -3.763 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 435 10.706 -5.469 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 435 10.496 -3.980 -9.629 1.00 0.00 H new ATOM 197 N LEU A 436 6.237 -4.552 -6.708 1.00 0.00 N ATOM 198 CA LEU A 436 4.810 -4.333 -6.496 1.00 0.00 C ATOM 199 C LEU A 436 4.098 -4.071 -7.819 1.00 0.00 C ATOM 200 O LEU A 436 4.482 -3.181 -8.578 1.00 0.00 O ATOM 201 CB LEU A 436 4.591 -3.157 -5.543 1.00 0.00 C ATOM 202 CG LEU A 436 3.136 -2.829 -5.206 1.00 0.00 C ATOM 203 CD1 LEU A 436 2.537 -3.910 -4.320 1.00 0.00 C ATOM 204 CD2 LEU A 436 3.039 -1.469 -4.531 1.00 0.00 C ATOM 0 H LEU A 436 6.842 -3.898 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 436 4.390 -5.235 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 436 5.120 -3.365 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 436 5.051 -2.271 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 436 2.567 -2.793 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 436 1.501 -3.660 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 436 2.572 -4.867 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 436 3.108 -3.979 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 436 1.997 -1.252 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 436 3.622 -1.477 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.429 -0.702 -5.200 1.00 0.00 H new ATOM 216 N CYS A 437 3.055 -4.850 -8.088 1.00 0.00 N ATOM 217 CA CYS A 437 2.286 -4.702 -9.318 1.00 0.00 C ATOM 218 C CYS A 437 1.576 -3.352 -9.356 1.00 0.00 C ATOM 219 O CYS A 437 1.155 -2.830 -8.324 1.00 0.00 O ATOM 220 CB CYS A 437 1.263 -5.832 -9.444 1.00 0.00 C ATOM 221 SG CYS A 437 0.515 -5.977 -11.098 1.00 0.00 S ATOM 0 H CYS A 437 2.723 -5.591 -7.470 1.00 0.00 H new ATOM 0 HA CYS A 437 2.978 -4.753 -10.158 1.00 0.00 H new ATOM 0 HB2 CYS A 437 1.747 -6.776 -9.192 1.00 0.00 H new ATOM 0 HB3 CYS A 437 0.471 -5.674 -8.712 1.00 0.00 H new ATOM 0 HG CYS A 437 0.748 -7.163 -11.577 1.00 0.00 H new ATOM 226 N LYS A 438 1.447 -2.791 -10.554 1.00 0.00 N ATOM 227 CA LYS A 438 0.787 -1.503 -10.729 1.00 0.00 C ATOM 228 C LYS A 438 -0.730 -1.664 -10.722 1.00 0.00 C ATOM 229 O LYS A 438 -1.468 -0.680 -10.660 1.00 0.00 O ATOM 230 CB LYS A 438 1.235 -0.851 -12.039 1.00 0.00 C ATOM 231 CG LYS A 438 2.736 -0.639 -12.130 1.00 0.00 C ATOM 232 CD LYS A 438 3.123 0.058 -13.423 1.00 0.00 C ATOM 233 CE LYS A 438 3.072 1.572 -13.277 1.00 0.00 C ATOM 234 NZ LYS A 438 4.195 2.087 -12.446 1.00 0.00 N ATOM 0 H LYS A 438 1.791 -3.209 -11.418 1.00 0.00 H new ATOM 0 HA LYS A 438 1.071 -0.861 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 438 0.913 -1.474 -12.874 1.00 0.00 H new ATOM 0 HB3 LYS A 438 0.733 0.111 -12.147 1.00 0.00 H new ATOM 0 HG2 LYS A 438 3.073 -0.045 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 438 3.245 -1.601 -12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 438 4.128 -0.247 -13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 438 2.450 -0.255 -14.222 1.00 0.00 H new ATOM 0 HE2 LYS A 438 3.109 2.033 -14.264 1.00 0.00 H new ATOM 0 HE3 LYS A 438 2.123 1.862 -12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 4.301 3.110 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 3.994 1.908 -11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 5.076 1.604 -12.715 1.00 0.00 H new ATOM 248 N PHE A 439 -1.189 -2.909 -10.785 1.00 0.00 N ATOM 249 CA PHE A 439 -2.619 -3.198 -10.785 1.00 0.00 C ATOM 250 C PHE A 439 -3.068 -3.721 -9.424 1.00 0.00 C ATOM 251 O PHE A 439 -4.084 -3.284 -8.883 1.00 0.00 O ATOM 252 CB PHE A 439 -2.954 -4.221 -11.872 1.00 0.00 C ATOM 253 CG PHE A 439 -2.877 -3.662 -13.265 1.00 0.00 C ATOM 254 CD1 PHE A 439 -3.876 -2.834 -13.749 1.00 0.00 C ATOM 255 CD2 PHE A 439 -1.806 -3.967 -14.089 1.00 0.00 C ATOM 256 CE1 PHE A 439 -3.809 -2.318 -15.029 1.00 0.00 C ATOM 257 CE2 PHE A 439 -1.733 -3.453 -15.370 1.00 0.00 C ATOM 258 CZ PHE A 439 -2.736 -2.629 -15.841 1.00 0.00 C ATOM 0 H PHE A 439 -0.592 -3.734 -10.837 1.00 0.00 H new ATOM 0 HA PHE A 439 -3.152 -2.270 -10.992 1.00 0.00 H new ATOM 0 HB2 PHE A 439 -2.269 -5.065 -11.789 1.00 0.00 H new ATOM 0 HB3 PHE A 439 -3.958 -4.608 -11.699 1.00 0.00 H new ATOM 0 HD1 PHE A 439 -4.718 -2.589 -13.118 1.00 0.00 H new ATOM 0 HD2 PHE A 439 -1.020 -4.613 -13.727 1.00 0.00 H new ATOM 0 HE1 PHE A 439 -4.594 -1.673 -15.394 1.00 0.00 H new ATOM 0 HE2 PHE A 439 -0.892 -3.696 -16.002 1.00 0.00 H new ATOM 0 HZ PHE A 439 -2.681 -2.228 -16.843 1.00 0.00 H new ATOM 268 N TYR A 440 -2.304 -4.659 -8.876 1.00 0.00 N ATOM 269 CA TYR A 440 -2.625 -5.245 -7.579 1.00 0.00 C ATOM 270 C TYR A 440 -2.957 -4.160 -6.559 1.00 0.00 C ATOM 271 O TYR A 440 -3.828 -4.340 -5.707 1.00 0.00 O ATOM 272 CB TYR A 440 -1.455 -6.093 -7.076 1.00 0.00 C ATOM 273 CG TYR A 440 -1.824 -7.020 -5.941 1.00 0.00 C ATOM 274 CD1 TYR A 440 -2.786 -8.009 -6.110 1.00 0.00 C ATOM 275 CD2 TYR A 440 -1.212 -6.908 -4.698 1.00 0.00 C ATOM 276 CE1 TYR A 440 -3.127 -8.858 -5.075 1.00 0.00 C ATOM 277 CE2 TYR A 440 -1.546 -7.754 -3.659 1.00 0.00 C ATOM 278 CZ TYR A 440 -2.504 -8.727 -3.851 1.00 0.00 C ATOM 279 OH TYR A 440 -2.840 -9.571 -2.818 1.00 0.00 O ATOM 0 H TYR A 440 -1.458 -5.030 -9.309 1.00 0.00 H new ATOM 0 HA TYR A 440 -3.500 -5.882 -7.703 1.00 0.00 H new ATOM 0 HB2 TYR A 440 -1.063 -6.684 -7.904 1.00 0.00 H new ATOM 0 HB3 TYR A 440 -0.653 -5.432 -6.748 1.00 0.00 H new ATOM 0 HD1 TYR A 440 -3.275 -8.116 -7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 440 -0.462 -6.146 -4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 440 -3.877 -9.620 -5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 440 -1.059 -7.654 -2.700 1.00 0.00 H new ATOM 0 HH TYR A 440 -2.309 -9.346 -2.026 1.00 0.00 H new ATOM 289 N ILE A 441 -2.257 -3.035 -6.652 1.00 0.00 N ATOM 290 CA ILE A 441 -2.478 -1.920 -5.739 1.00 0.00 C ATOM 291 C ILE A 441 -3.967 -1.682 -5.513 1.00 0.00 C ATOM 292 O ILE A 441 -4.394 -1.358 -4.404 1.00 0.00 O ATOM 293 CB ILE A 441 -1.837 -0.624 -6.268 1.00 0.00 C ATOM 294 CG1 ILE A 441 -0.329 -0.811 -6.447 1.00 0.00 C ATOM 295 CG2 ILE A 441 -2.124 0.533 -5.323 1.00 0.00 C ATOM 296 CD1 ILE A 441 0.313 0.250 -7.314 1.00 0.00 C ATOM 0 H ILE A 441 -1.532 -2.871 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 441 -2.008 -2.188 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 441 -2.273 -0.391 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 441 0.148 -0.806 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 441 -0.142 -1.790 -6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 441 -1.664 1.442 -5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 441 -3.201 0.678 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 441 -1.712 0.310 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 441 1.382 0.054 -7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 441 -0.138 0.231 -8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 441 0.158 1.231 -6.864 1.00 0.00 H new ATOM 308 N THR A 442 -4.755 -1.847 -6.571 1.00 0.00 N ATOM 309 CA THR A 442 -6.197 -1.651 -6.489 1.00 0.00 C ATOM 310 C THR A 442 -6.929 -2.985 -6.404 1.00 0.00 C ATOM 311 O THR A 442 -7.934 -3.109 -5.705 1.00 0.00 O ATOM 312 CB THR A 442 -6.727 -0.864 -7.702 1.00 0.00 C ATOM 313 OG1 THR A 442 -6.480 -1.596 -8.907 1.00 0.00 O ATOM 314 CG2 THR A 442 -6.068 0.505 -7.789 1.00 0.00 C ATOM 0 H THR A 442 -4.418 -2.116 -7.495 1.00 0.00 H new ATOM 0 HA THR A 442 -6.387 -1.077 -5.582 1.00 0.00 H new ATOM 0 HB THR A 442 -7.801 -0.725 -7.576 1.00 0.00 H new ATOM 0 HG1 THR A 442 -5.729 -2.210 -8.769 1.00 0.00 H new ATOM 0 HG21 THR A 442 -6.458 1.042 -8.653 1.00 0.00 H new ATOM 0 HG22 THR A 442 -6.283 1.071 -6.883 1.00 0.00 H new ATOM 0 HG23 THR A 442 -4.990 0.384 -7.893 1.00 0.00 H new ATOM 322 N GLY A 443 -6.418 -3.982 -7.119 1.00 0.00 N ATOM 323 CA GLY A 443 -7.036 -5.295 -7.110 1.00 0.00 C ATOM 324 C GLY A 443 -7.541 -5.708 -8.478 1.00 0.00 C ATOM 325 O GLY A 443 -8.013 -6.830 -8.661 1.00 0.00 O ATOM 0 H GLY A 443 -5.587 -3.904 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -6.314 -6.031 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -7.866 -5.297 -6.404 1.00 0.00 H new ATOM 329 N PHE A 444 -7.442 -4.799 -9.443 1.00 0.00 N ATOM 330 CA PHE A 444 -7.895 -5.074 -10.801 1.00 0.00 C ATOM 331 C PHE A 444 -6.720 -5.444 -11.701 1.00 0.00 C ATOM 332 O PHE A 444 -6.322 -4.670 -12.572 1.00 0.00 O ATOM 333 CB PHE A 444 -8.627 -3.858 -11.373 1.00 0.00 C ATOM 334 CG PHE A 444 -8.801 -3.910 -12.864 1.00 0.00 C ATOM 335 CD1 PHE A 444 -9.386 -5.012 -13.468 1.00 0.00 C ATOM 336 CD2 PHE A 444 -8.380 -2.858 -13.662 1.00 0.00 C ATOM 337 CE1 PHE A 444 -9.549 -5.063 -14.840 1.00 0.00 C ATOM 338 CE2 PHE A 444 -8.541 -2.904 -15.034 1.00 0.00 C ATOM 339 CZ PHE A 444 -9.125 -4.008 -15.624 1.00 0.00 C ATOM 0 H PHE A 444 -7.052 -3.866 -9.309 1.00 0.00 H new ATOM 0 HA PHE A 444 -8.582 -5.919 -10.764 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -9.607 -3.780 -10.903 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -8.075 -2.955 -11.111 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -9.718 -5.840 -12.860 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -7.921 -1.993 -13.207 1.00 0.00 H new ATOM 0 HE1 PHE A 444 -10.007 -5.927 -15.298 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -8.210 -2.077 -15.645 1.00 0.00 H new ATOM 0 HZ PHE A 444 -9.250 -4.046 -16.696 1.00 0.00 H new ATOM 349 N CYS A 445 -6.168 -6.634 -11.485 1.00 0.00 N ATOM 350 CA CYS A 445 -5.038 -7.109 -12.274 1.00 0.00 C ATOM 351 C CYS A 445 -5.470 -8.216 -13.231 1.00 0.00 C ATOM 352 O CYS A 445 -5.705 -9.351 -12.817 1.00 0.00 O ATOM 353 CB CYS A 445 -3.926 -7.618 -11.356 1.00 0.00 C ATOM 354 SG CYS A 445 -2.504 -8.337 -12.238 1.00 0.00 S ATOM 0 H CYS A 445 -6.486 -7.287 -10.769 1.00 0.00 H new ATOM 0 HA CYS A 445 -4.660 -6.272 -12.861 1.00 0.00 H new ATOM 0 HB2 CYS A 445 -3.576 -6.793 -10.736 1.00 0.00 H new ATOM 0 HB3 CYS A 445 -4.340 -8.369 -10.683 1.00 0.00 H new ATOM 0 HG CYS A 445 -2.678 -9.619 -12.370 1.00 0.00 H new ATOM 359 N ALA A 446 -5.573 -7.878 -14.512 1.00 0.00 N ATOM 360 CA ALA A 446 -5.974 -8.844 -15.527 1.00 0.00 C ATOM 361 C ALA A 446 -5.336 -10.205 -15.272 1.00 0.00 C ATOM 362 O ALA A 446 -6.033 -11.198 -15.060 1.00 0.00 O ATOM 363 CB ALA A 446 -5.603 -8.337 -16.913 1.00 0.00 C ATOM 0 H ALA A 446 -5.384 -6.942 -14.871 1.00 0.00 H new ATOM 0 HA ALA A 446 -7.056 -8.963 -15.473 1.00 0.00 H new ATOM 0 HB1 ALA A 446 -5.908 -9.068 -17.662 1.00 0.00 H new ATOM 0 HB2 ALA A 446 -6.110 -7.391 -17.102 1.00 0.00 H new ATOM 0 HB3 ALA A 446 -4.525 -8.188 -16.969 1.00 0.00 H new ATOM 369 N ARG A 447 -4.008 -10.245 -15.295 1.00 0.00 N ATOM 370 CA ARG A 447 -3.277 -11.486 -15.068 1.00 0.00 C ATOM 371 C ARG A 447 -3.113 -11.755 -13.575 1.00 0.00 C ATOM 372 O ARG A 447 -2.361 -11.064 -12.889 1.00 0.00 O ATOM 373 CB ARG A 447 -1.904 -11.424 -15.740 1.00 0.00 C ATOM 374 CG ARG A 447 -1.950 -11.650 -17.242 1.00 0.00 C ATOM 375 CD ARG A 447 -0.558 -11.856 -17.818 1.00 0.00 C ATOM 376 NE ARG A 447 -0.599 -12.264 -19.219 1.00 0.00 N ATOM 377 CZ ARG A 447 0.476 -12.618 -19.914 1.00 0.00 C ATOM 378 NH1 ARG A 447 1.671 -12.615 -19.340 1.00 0.00 N ATOM 379 NH2 ARG A 447 0.358 -12.978 -21.186 1.00 0.00 N ATOM 0 H ARG A 447 -3.416 -9.433 -15.468 1.00 0.00 H new ATOM 0 HA ARG A 447 -3.852 -12.302 -15.506 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.455 -10.451 -15.541 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -1.254 -12.173 -15.288 1.00 0.00 H new ATOM 0 HG2 ARG A 447 -2.568 -12.521 -17.461 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -2.422 -10.795 -17.725 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.012 -10.932 -17.726 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.033 -12.613 -17.235 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.503 -12.278 -19.690 1.00 0.00 H new ATOM 0 HH11 ARG A 447 1.766 -12.340 -18.362 1.00 0.00 H new ATOM 0 HH12 ARG A 447 2.495 -12.887 -19.876 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -0.560 -12.983 -21.632 1.00 0.00 H new ATOM 0 HH22 ARG A 447 1.185 -13.249 -21.718 1.00 0.00 H new ATOM 393 N ALA A 448 -3.822 -12.764 -13.080 1.00 0.00 N ATOM 394 CA ALA A 448 -3.754 -13.126 -11.670 1.00 0.00 C ATOM 395 C ALA A 448 -2.520 -13.973 -11.379 1.00 0.00 C ATOM 396 O ALA A 448 -1.521 -13.473 -10.862 1.00 0.00 O ATOM 397 CB ALA A 448 -5.016 -13.868 -11.253 1.00 0.00 C ATOM 0 H ALA A 448 -4.450 -13.345 -13.635 1.00 0.00 H new ATOM 0 HA ALA A 448 -3.677 -12.207 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 448 -4.951 -14.132 -10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 448 -5.884 -13.229 -11.414 1.00 0.00 H new ATOM 0 HB3 ALA A 448 -5.118 -14.775 -11.848 1.00 0.00 H new ATOM 403 N GLU A 449 -2.597 -15.257 -11.714 1.00 0.00 N ATOM 404 CA GLU A 449 -1.485 -16.173 -11.486 1.00 0.00 C ATOM 405 C GLU A 449 -0.444 -16.051 -12.595 1.00 0.00 C ATOM 406 O GLU A 449 0.584 -16.727 -12.573 1.00 0.00 O ATOM 407 CB GLU A 449 -1.991 -17.614 -11.404 1.00 0.00 C ATOM 408 CG GLU A 449 -0.969 -18.587 -10.841 1.00 0.00 C ATOM 409 CD GLU A 449 -1.374 -20.036 -11.034 1.00 0.00 C ATOM 410 OE1 GLU A 449 -1.750 -20.401 -12.167 1.00 0.00 O ATOM 411 OE2 GLU A 449 -1.315 -20.804 -10.051 1.00 0.00 O ATOM 0 H GLU A 449 -3.416 -15.686 -12.144 1.00 0.00 H new ATOM 0 HA GLU A 449 -1.016 -15.906 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -2.886 -17.641 -10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 449 -2.284 -17.944 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 449 -0.006 -18.416 -11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 449 -0.833 -18.390 -9.778 1.00 0.00 H new ATOM 418 N ASN A 450 -0.719 -15.184 -13.564 1.00 0.00 N ATOM 419 CA ASN A 450 0.193 -14.973 -14.683 1.00 0.00 C ATOM 420 C ASN A 450 1.039 -13.722 -14.467 1.00 0.00 C ATOM 421 O ASN A 450 1.872 -13.371 -15.304 1.00 0.00 O ATOM 422 CB ASN A 450 -0.592 -14.853 -15.991 1.00 0.00 C ATOM 423 CG ASN A 450 -1.282 -16.148 -16.373 1.00 0.00 C ATOM 424 OD1 ASN A 450 -2.497 -16.184 -16.566 1.00 0.00 O ATOM 425 ND2 ASN A 450 -0.507 -17.221 -16.484 1.00 0.00 N ATOM 0 H ASN A 450 -1.566 -14.616 -13.597 1.00 0.00 H new ATOM 0 HA ASN A 450 0.859 -15.834 -14.744 1.00 0.00 H new ATOM 0 HB2 ASN A 450 -1.337 -14.063 -15.893 1.00 0.00 H new ATOM 0 HB3 ASN A 450 0.085 -14.556 -16.792 1.00 0.00 H new ATOM 0 HD21 ASN A 450 -0.915 -18.121 -16.738 1.00 0.00 H new ATOM 0 HD22 ASN A 450 0.496 -17.145 -16.315 1.00 0.00 H new ATOM 432 N CYS A 451 0.820 -13.053 -13.340 1.00 0.00 N ATOM 433 CA CYS A 451 1.561 -11.842 -13.013 1.00 0.00 C ATOM 434 C CYS A 451 2.939 -12.182 -12.453 1.00 0.00 C ATOM 435 O CYS A 451 3.075 -12.709 -11.349 1.00 0.00 O ATOM 436 CB CYS A 451 0.781 -10.999 -12.002 1.00 0.00 C ATOM 437 SG CYS A 451 1.365 -9.279 -11.859 1.00 0.00 S ATOM 0 H CYS A 451 0.134 -13.330 -12.637 1.00 0.00 H new ATOM 0 HA CYS A 451 1.693 -11.268 -13.930 1.00 0.00 H new ATOM 0 HB2 CYS A 451 -0.271 -10.992 -12.286 1.00 0.00 H new ATOM 0 HB3 CYS A 451 0.843 -11.475 -11.023 1.00 0.00 H new ATOM 0 HG CYS A 451 0.990 -8.787 -10.715 1.00 0.00 H new ATOM 442 N PRO A 452 3.987 -11.872 -13.231 1.00 0.00 N ATOM 443 CA PRO A 452 5.373 -12.135 -12.834 1.00 0.00 C ATOM 444 C PRO A 452 5.830 -11.233 -11.692 1.00 0.00 C ATOM 445 O PRO A 452 6.990 -11.273 -11.283 1.00 0.00 O ATOM 446 CB PRO A 452 6.170 -11.834 -14.105 1.00 0.00 C ATOM 447 CG PRO A 452 5.324 -10.870 -14.863 1.00 0.00 C ATOM 448 CD PRO A 452 3.899 -11.242 -14.559 1.00 0.00 C ATOM 0 HA PRO A 452 5.505 -13.152 -12.463 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.144 -11.406 -13.869 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.352 -12.740 -14.682 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.533 -9.844 -14.559 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.524 -10.932 -15.933 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.249 -10.367 -14.546 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.495 -11.928 -15.303 1.00 0.00 H new ATOM 456 N TYR A 453 4.911 -10.421 -11.183 1.00 0.00 N ATOM 457 CA TYR A 453 5.220 -9.507 -10.089 1.00 0.00 C ATOM 458 C TYR A 453 4.745 -10.074 -8.755 1.00 0.00 C ATOM 459 O TYR A 453 4.183 -11.167 -8.697 1.00 0.00 O ATOM 460 CB TYR A 453 4.572 -8.144 -10.337 1.00 0.00 C ATOM 461 CG TYR A 453 5.167 -7.393 -11.506 1.00 0.00 C ATOM 462 CD1 TYR A 453 4.852 -7.742 -12.814 1.00 0.00 C ATOM 463 CD2 TYR A 453 6.046 -6.336 -11.304 1.00 0.00 C ATOM 464 CE1 TYR A 453 5.395 -7.060 -13.886 1.00 0.00 C ATOM 465 CE2 TYR A 453 6.592 -5.647 -12.369 1.00 0.00 C ATOM 466 CZ TYR A 453 6.264 -6.013 -13.658 1.00 0.00 C ATOM 467 OH TYR A 453 6.807 -5.330 -14.723 1.00 0.00 O ATOM 0 H TYR A 453 3.946 -10.377 -11.510 1.00 0.00 H new ATOM 0 HA TYR A 453 6.302 -9.385 -10.046 1.00 0.00 H new ATOM 0 HB2 TYR A 453 3.505 -8.285 -10.512 1.00 0.00 H new ATOM 0 HB3 TYR A 453 4.670 -7.536 -9.438 1.00 0.00 H new ATOM 0 HD1 TYR A 453 4.171 -8.560 -12.996 1.00 0.00 H new ATOM 0 HD2 TYR A 453 6.307 -6.048 -10.296 1.00 0.00 H new ATOM 0 HE1 TYR A 453 5.141 -7.345 -14.896 1.00 0.00 H new ATOM 0 HE2 TYR A 453 7.272 -4.826 -12.194 1.00 0.00 H new ATOM 0 HH TYR A 453 7.397 -4.622 -14.391 1.00 0.00 H new ATOM 477 N MET A 454 4.976 -9.321 -7.684 1.00 0.00 N ATOM 478 CA MET A 454 4.571 -9.747 -6.349 1.00 0.00 C ATOM 479 C MET A 454 3.212 -9.159 -5.981 1.00 0.00 C ATOM 480 O MET A 454 2.920 -8.003 -6.289 1.00 0.00 O ATOM 481 CB MET A 454 5.618 -9.326 -5.317 1.00 0.00 C ATOM 482 CG MET A 454 6.887 -10.163 -5.362 1.00 0.00 C ATOM 483 SD MET A 454 6.716 -11.731 -4.489 1.00 0.00 S ATOM 484 CE MET A 454 7.582 -11.366 -2.964 1.00 0.00 C ATOM 0 H MET A 454 5.441 -8.414 -7.715 1.00 0.00 H new ATOM 0 HA MET A 454 4.489 -10.834 -6.350 1.00 0.00 H new ATOM 0 HB2 MET A 454 5.877 -8.280 -5.480 1.00 0.00 H new ATOM 0 HB3 MET A 454 5.182 -9.395 -4.320 1.00 0.00 H new ATOM 0 HG2 MET A 454 7.153 -10.357 -6.401 1.00 0.00 H new ATOM 0 HG3 MET A 454 7.708 -9.595 -4.924 1.00 0.00 H new ATOM 0 HE1 MET A 454 7.640 -12.267 -2.354 1.00 0.00 H new ATOM 0 HE2 MET A 454 8.589 -11.016 -3.192 1.00 0.00 H new ATOM 0 HE3 MET A 454 7.044 -10.592 -2.417 1.00 0.00 H new ATOM 494 N HIS A 455 2.385 -9.963 -5.320 1.00 0.00 N ATOM 495 CA HIS A 455 1.057 -9.521 -4.909 1.00 0.00 C ATOM 496 C HIS A 455 0.912 -9.574 -3.391 1.00 0.00 C ATOM 497 O HIS A 455 0.955 -8.546 -2.717 1.00 0.00 O ATOM 498 CB HIS A 455 -0.018 -10.388 -5.566 1.00 0.00 C ATOM 499 CG HIS A 455 -0.315 -10.002 -6.982 1.00 0.00 C ATOM 500 ND1 HIS A 455 -1.466 -10.383 -7.640 1.00 0.00 N ATOM 501 CD2 HIS A 455 0.395 -9.264 -7.867 1.00 0.00 C ATOM 502 CE1 HIS A 455 -1.449 -9.897 -8.869 1.00 0.00 C ATOM 503 NE2 HIS A 455 -0.331 -9.213 -9.031 1.00 0.00 N ATOM 0 H HIS A 455 2.611 -10.923 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 455 0.929 -8.488 -5.233 1.00 0.00 H new ATOM 0 HB2 HIS A 455 0.302 -11.430 -5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 455 -0.935 -10.322 -4.980 1.00 0.00 H new ATOM 0 HD1 HIS A 455 -2.213 -10.951 -7.241 1.00 0.00 H new ATOM 0 HD2 HIS A 455 1.355 -8.801 -7.690 1.00 0.00 H new ATOM 0 HE1 HIS A 455 -2.218 -10.036 -9.614 1.00 0.00 H new ATOM 511 N GLY A 456 0.739 -10.781 -2.859 1.00 0.00 N ATOM 512 CA GLY A 456 0.589 -10.945 -1.425 1.00 0.00 C ATOM 513 C GLY A 456 1.918 -10.919 -0.697 1.00 0.00 C ATOM 514 O GLY A 456 2.186 -10.009 0.088 1.00 0.00 O ATOM 0 H GLY A 456 0.700 -11.647 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 456 -0.050 -10.152 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 456 0.085 -11.890 -1.221 1.00 0.00 H new ATOM 518 N ASP A 457 2.752 -11.921 -0.956 1.00 0.00 N ATOM 519 CA ASP A 457 4.061 -12.009 -0.318 1.00 0.00 C ATOM 520 C ASP A 457 4.649 -10.621 -0.088 1.00 0.00 C ATOM 521 O ASP A 457 5.195 -10.335 0.978 1.00 0.00 O ATOM 522 CB ASP A 457 5.013 -12.844 -1.175 1.00 0.00 C ATOM 523 CG ASP A 457 4.585 -14.296 -1.271 1.00 0.00 C ATOM 524 OD1 ASP A 457 4.754 -15.032 -0.276 1.00 0.00 O ATOM 525 OD2 ASP A 457 4.079 -14.695 -2.341 1.00 0.00 O ATOM 0 H ASP A 457 2.545 -12.683 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 457 3.934 -12.494 0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 457 5.065 -12.417 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 457 6.017 -12.791 -0.754 1.00 0.00 H new ATOM 530 N PHE A 458 4.533 -9.761 -1.094 1.00 0.00 N ATOM 531 CA PHE A 458 5.055 -8.402 -1.003 1.00 0.00 C ATOM 532 C PHE A 458 4.730 -7.785 0.355 1.00 0.00 C ATOM 533 O PHE A 458 3.584 -7.783 0.805 1.00 0.00 O ATOM 534 CB PHE A 458 4.476 -7.534 -2.122 1.00 0.00 C ATOM 535 CG PHE A 458 5.288 -6.303 -2.407 1.00 0.00 C ATOM 536 CD1 PHE A 458 6.494 -6.394 -3.083 1.00 0.00 C ATOM 537 CD2 PHE A 458 4.846 -5.055 -1.999 1.00 0.00 C ATOM 538 CE1 PHE A 458 7.244 -5.263 -3.345 1.00 0.00 C ATOM 539 CE2 PHE A 458 5.591 -3.920 -2.259 1.00 0.00 C ATOM 540 CZ PHE A 458 6.791 -4.024 -2.934 1.00 0.00 C ATOM 0 H PHE A 458 4.082 -9.981 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 458 6.139 -8.447 -1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 458 4.402 -8.130 -3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 458 3.462 -7.237 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 458 6.852 -7.359 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 458 3.908 -4.968 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 458 8.184 -5.348 -3.871 1.00 0.00 H new ATOM 0 HE2 PHE A 458 5.235 -2.953 -1.935 1.00 0.00 H new ATOM 0 HZ PHE A 458 7.374 -3.139 -3.140 1.00 0.00 H new ATOM 550 N PRO A 459 5.762 -7.249 1.023 1.00 0.00 N ATOM 551 CA PRO A 459 5.611 -6.618 2.338 1.00 0.00 C ATOM 552 C PRO A 459 4.847 -5.301 2.266 1.00 0.00 C ATOM 553 O PRO A 459 4.909 -4.590 1.262 1.00 0.00 O ATOM 554 CB PRO A 459 7.056 -6.374 2.781 1.00 0.00 C ATOM 555 CG PRO A 459 7.832 -6.284 1.512 1.00 0.00 C ATOM 556 CD PRO A 459 7.154 -7.215 0.546 1.00 0.00 C ATOM 0 HA PRO A 459 5.038 -7.241 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 459 7.142 -5.457 3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 459 7.420 -7.186 3.410 1.00 0.00 H new ATOM 0 HG2 PRO A 459 7.839 -5.263 1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 459 8.871 -6.573 1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 459 7.219 -6.848 -0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 459 7.607 -8.206 0.558 1.00 0.00 H new ATOM 564 N CYS A 460 4.126 -4.981 3.335 1.00 0.00 N ATOM 565 CA CYS A 460 3.349 -3.749 3.394 1.00 0.00 C ATOM 566 C CYS A 460 4.259 -2.541 3.593 1.00 0.00 C ATOM 567 O CYS A 460 5.325 -2.645 4.200 1.00 0.00 O ATOM 568 CB CYS A 460 2.324 -3.822 4.527 1.00 0.00 C ATOM 569 SG CYS A 460 0.998 -2.578 4.411 1.00 0.00 S ATOM 0 H CYS A 460 4.064 -5.559 4.173 1.00 0.00 H new ATOM 0 HA CYS A 460 2.824 -3.634 2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 460 1.876 -4.816 4.534 1.00 0.00 H new ATOM 0 HB3 CYS A 460 2.841 -3.699 5.479 1.00 0.00 H new ATOM 0 HG CYS A 460 0.370 -2.506 5.547 1.00 0.00 H new ATOM 574 N LYS A 461 3.831 -1.394 3.077 1.00 0.00 N ATOM 575 CA LYS A 461 4.605 -0.164 3.198 1.00 0.00 C ATOM 576 C LYS A 461 4.396 0.478 4.565 1.00 0.00 C ATOM 577 O LYS A 461 5.302 0.495 5.399 1.00 0.00 O ATOM 578 CB LYS A 461 4.212 0.821 2.094 1.00 0.00 C ATOM 579 CG LYS A 461 4.928 2.157 2.189 1.00 0.00 C ATOM 580 CD LYS A 461 4.144 3.260 1.496 1.00 0.00 C ATOM 581 CE LYS A 461 4.421 3.285 0.000 1.00 0.00 C ATOM 582 NZ LYS A 461 3.324 3.951 -0.755 1.00 0.00 N ATOM 0 H LYS A 461 2.952 -1.290 2.571 1.00 0.00 H new ATOM 0 HA LYS A 461 5.660 -0.416 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 461 4.426 0.372 1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 461 3.136 0.991 2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 461 5.076 2.418 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 461 5.917 2.074 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 461 3.078 3.113 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 461 4.407 4.224 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 461 5.360 3.807 -0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 461 4.545 2.265 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 3.550 3.948 -1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 2.433 3.439 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 3.222 4.932 -0.426 1.00 0.00 H new ATOM 596 N LEU A 462 3.197 1.004 4.790 1.00 0.00 N ATOM 597 CA LEU A 462 2.868 1.646 6.058 1.00 0.00 C ATOM 598 C LEU A 462 3.381 0.822 7.234 1.00 0.00 C ATOM 599 O LEU A 462 4.196 1.293 8.028 1.00 0.00 O ATOM 600 CB LEU A 462 1.356 1.840 6.177 1.00 0.00 C ATOM 601 CG LEU A 462 0.772 3.038 5.427 1.00 0.00 C ATOM 602 CD1 LEU A 462 -0.747 3.034 5.514 1.00 0.00 C ATOM 603 CD2 LEU A 462 1.336 4.339 5.979 1.00 0.00 C ATOM 0 H LEU A 462 2.436 0.999 4.111 1.00 0.00 H new ATOM 0 HA LEU A 462 3.355 2.621 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 462 0.864 0.936 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 462 1.105 1.940 7.233 1.00 0.00 H new ATOM 0 HG LEU A 462 1.055 2.958 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.145 3.894 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -1.134 2.117 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.052 3.089 6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.910 5.181 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.083 4.426 7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 462 2.420 4.344 5.864 1.00 0.00 H new ATOM 615 N TYR A 463 2.900 -0.412 7.340 1.00 0.00 N ATOM 616 CA TYR A 463 3.309 -1.302 8.420 1.00 0.00 C ATOM 617 C TYR A 463 4.799 -1.154 8.713 1.00 0.00 C ATOM 618 O TYR A 463 5.255 -1.430 9.823 1.00 0.00 O ATOM 619 CB TYR A 463 2.991 -2.754 8.060 1.00 0.00 C ATOM 620 CG TYR A 463 3.331 -3.739 9.156 1.00 0.00 C ATOM 621 CD1 TYR A 463 2.494 -3.905 10.252 1.00 0.00 C ATOM 622 CD2 TYR A 463 4.490 -4.503 9.095 1.00 0.00 C ATOM 623 CE1 TYR A 463 2.801 -4.803 11.256 1.00 0.00 C ATOM 624 CE2 TYR A 463 4.805 -5.404 10.094 1.00 0.00 C ATOM 625 CZ TYR A 463 3.958 -5.550 11.172 1.00 0.00 C ATOM 626 OH TYR A 463 4.267 -6.446 12.170 1.00 0.00 O ATOM 0 H TYR A 463 2.226 -0.819 6.691 1.00 0.00 H new ATOM 0 HA TYR A 463 2.752 -1.026 9.315 1.00 0.00 H new ATOM 0 HB2 TYR A 463 1.930 -2.837 7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 463 3.539 -3.024 7.158 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.587 -3.322 10.321 1.00 0.00 H new ATOM 0 HD2 TYR A 463 5.156 -4.391 8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 463 2.139 -4.920 12.102 1.00 0.00 H new ATOM 0 HE2 TYR A 463 5.710 -5.991 10.031 1.00 0.00 H new ATOM 0 HH TYR A 463 5.114 -6.892 11.959 1.00 0.00 H new ATOM 636 N HIS A 464 5.552 -0.714 7.710 1.00 0.00 N ATOM 637 CA HIS A 464 6.991 -0.527 7.859 1.00 0.00 C ATOM 638 C HIS A 464 7.324 0.941 8.111 1.00 0.00 C ATOM 639 O HIS A 464 8.032 1.274 9.062 1.00 0.00 O ATOM 640 CB HIS A 464 7.723 -1.022 6.612 1.00 0.00 C ATOM 641 CG HIS A 464 7.679 -2.509 6.442 1.00 0.00 C ATOM 642 ND1 HIS A 464 7.630 -3.387 7.505 1.00 0.00 N ATOM 643 CD2 HIS A 464 7.675 -3.273 5.325 1.00 0.00 C ATOM 644 CE1 HIS A 464 7.600 -4.626 7.048 1.00 0.00 C ATOM 645 NE2 HIS A 464 7.625 -4.585 5.728 1.00 0.00 N ATOM 0 H HIS A 464 5.190 -0.480 6.786 1.00 0.00 H new ATOM 0 HA HIS A 464 7.322 -1.109 8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 464 7.284 -0.551 5.732 1.00 0.00 H new ATOM 0 HB3 HIS A 464 8.763 -0.701 6.660 1.00 0.00 H new ATOM 0 HD1 HIS A 464 7.619 -3.121 8.490 1.00 0.00 H new ATOM 0 HD2 HIS A 464 7.705 -2.917 4.306 1.00 0.00 H new ATOM 0 HE1 HIS A 464 7.562 -5.521 7.651 1.00 0.00 H new ATOM 653 N THR A 465 6.810 1.815 7.252 1.00 0.00 N ATOM 654 CA THR A 465 7.055 3.246 7.379 1.00 0.00 C ATOM 655 C THR A 465 7.164 3.657 8.843 1.00 0.00 C ATOM 656 O THR A 465 7.988 4.498 9.204 1.00 0.00 O ATOM 657 CB THR A 465 5.939 4.069 6.708 1.00 0.00 C ATOM 658 OG1 THR A 465 4.701 3.871 7.400 1.00 0.00 O ATOM 659 CG2 THR A 465 5.778 3.674 5.248 1.00 0.00 C ATOM 0 H THR A 465 6.221 1.557 6.460 1.00 0.00 H new ATOM 0 HA THR A 465 8.000 3.451 6.875 1.00 0.00 H new ATOM 0 HB THR A 465 6.217 5.122 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.628 2.934 7.678 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.984 4.269 4.796 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.713 3.853 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.521 2.617 5.183 1.00 0.00 H new ATOM 667 N THR A 466 6.327 3.058 9.685 1.00 0.00 N ATOM 668 CA THR A 466 6.329 3.362 11.110 1.00 0.00 C ATOM 669 C THR A 466 6.354 2.086 11.945 1.00 0.00 C ATOM 670 O THR A 466 6.992 2.032 12.995 1.00 0.00 O ATOM 671 CB THR A 466 5.098 4.198 11.508 1.00 0.00 C ATOM 672 OG1 THR A 466 3.898 3.489 11.181 1.00 0.00 O ATOM 673 CG2 THR A 466 5.107 5.545 10.800 1.00 0.00 C ATOM 0 H THR A 466 5.639 2.359 9.404 1.00 0.00 H new ATOM 0 HA THR A 466 7.231 3.940 11.308 1.00 0.00 H new ATOM 0 HB THR A 466 5.135 4.371 12.584 1.00 0.00 H new ATOM 0 HG1 THR A 466 3.120 4.026 11.439 1.00 0.00 H new ATOM 0 HG21 THR A 466 4.228 6.118 11.097 1.00 0.00 H new ATOM 0 HG22 THR A 466 6.008 6.094 11.074 1.00 0.00 H new ATOM 0 HG23 THR A 466 5.091 5.389 9.721 1.00 0.00 H new ATOM 681 N GLY A 467 5.655 1.060 11.469 1.00 0.00 N ATOM 682 CA GLY A 467 5.611 -0.202 12.184 1.00 0.00 C ATOM 683 C GLY A 467 4.234 -0.836 12.157 1.00 0.00 C ATOM 684 O GLY A 467 4.107 -2.053 12.030 1.00 0.00 O ATOM 0 H GLY A 467 5.119 1.080 10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 467 6.333 -0.890 11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 467 5.913 -0.041 13.219 1.00 0.00 H new ATOM 688 N ASN A 468 3.201 -0.009 12.278 1.00 0.00 N ATOM 689 CA ASN A 468 1.827 -0.497 12.269 1.00 0.00 C ATOM 690 C ASN A 468 1.127 -0.127 10.965 1.00 0.00 C ATOM 691 O ASN A 468 1.633 0.678 10.182 1.00 0.00 O ATOM 692 CB ASN A 468 1.052 0.077 13.457 1.00 0.00 C ATOM 693 CG ASN A 468 -0.435 -0.210 13.371 1.00 0.00 C ATOM 694 OD1 ASN A 468 -1.216 0.634 12.931 1.00 0.00 O ATOM 695 ND2 ASN A 468 -0.832 -1.405 13.792 1.00 0.00 N ATOM 0 H ASN A 468 3.289 1.002 12.383 1.00 0.00 H new ATOM 0 HA ASN A 468 1.853 -1.584 12.351 1.00 0.00 H new ATOM 0 HB2 ASN A 468 1.447 -0.343 14.382 1.00 0.00 H new ATOM 0 HB3 ASN A 468 1.209 1.155 13.503 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -1.820 -1.655 13.758 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -0.149 -2.073 14.149 1.00 0.00 H new ATOM 702 N CYS A 469 -0.040 -0.721 10.737 1.00 0.00 N ATOM 703 CA CYS A 469 -0.811 -0.455 9.529 1.00 0.00 C ATOM 704 C CYS A 469 -2.193 0.093 9.874 1.00 0.00 C ATOM 705 O CYS A 469 -2.752 -0.223 10.925 1.00 0.00 O ATOM 706 CB CYS A 469 -0.949 -1.731 8.696 1.00 0.00 C ATOM 707 SG CYS A 469 -1.580 -1.453 7.010 1.00 0.00 S ATOM 0 H CYS A 469 -0.472 -1.390 11.374 1.00 0.00 H new ATOM 0 HA CYS A 469 -0.278 0.296 8.946 1.00 0.00 H new ATOM 0 HB2 CYS A 469 0.024 -2.218 8.633 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -1.617 -2.420 9.214 1.00 0.00 H new ATOM 0 HG CYS A 469 -1.913 -2.592 6.478 1.00 0.00 H new ATOM 712 N ILE A 470 -2.738 0.914 8.983 1.00 0.00 N ATOM 713 CA ILE A 470 -4.054 1.504 9.193 1.00 0.00 C ATOM 714 C ILE A 470 -5.160 0.485 8.938 1.00 0.00 C ATOM 715 O ILE A 470 -6.181 0.478 9.623 1.00 0.00 O ATOM 716 CB ILE A 470 -4.276 2.725 8.281 1.00 0.00 C ATOM 717 CG1 ILE A 470 -5.604 3.405 8.617 1.00 0.00 C ATOM 718 CG2 ILE A 470 -4.244 2.306 6.818 1.00 0.00 C ATOM 719 CD1 ILE A 470 -5.618 4.063 9.979 1.00 0.00 C ATOM 0 H ILE A 470 -2.288 1.186 8.109 1.00 0.00 H new ATOM 0 HA ILE A 470 -4.093 1.827 10.233 1.00 0.00 H new ATOM 0 HB ILE A 470 -3.470 3.439 8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 470 -5.821 4.156 7.857 1.00 0.00 H new ATOM 0 HG13 ILE A 470 -6.403 2.665 8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 470 -4.402 3.180 6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 470 -3.275 1.862 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 470 -5.031 1.576 6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 470 -6.590 4.525 10.150 1.00 0.00 H new ATOM 0 HD12 ILE A 470 -5.433 3.313 10.748 1.00 0.00 H new ATOM 0 HD13 ILE A 470 -4.841 4.826 10.022 1.00 0.00 H new ATOM 731 N ASN A 471 -4.947 -0.376 7.948 1.00 0.00 N ATOM 732 CA ASN A 471 -5.925 -1.401 7.602 1.00 0.00 C ATOM 733 C ASN A 471 -6.318 -2.214 8.832 1.00 0.00 C ATOM 734 O ASN A 471 -7.480 -2.225 9.237 1.00 0.00 O ATOM 735 CB ASN A 471 -5.364 -2.328 6.522 1.00 0.00 C ATOM 736 CG ASN A 471 -5.536 -1.760 5.126 1.00 0.00 C ATOM 737 OD1 ASN A 471 -4.559 -1.515 4.419 1.00 0.00 O ATOM 738 ND2 ASN A 471 -6.784 -1.548 4.724 1.00 0.00 N ATOM 0 H ASN A 471 -4.106 -0.384 7.371 1.00 0.00 H new ATOM 0 HA ASN A 471 -6.815 -0.903 7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 471 -4.305 -2.504 6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 471 -5.863 -3.295 6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 471 -6.963 -1.167 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 471 -7.564 -1.766 5.344 1.00 0.00 H new ATOM 745 N GLY A 472 -5.340 -2.894 9.423 1.00 0.00 N ATOM 746 CA GLY A 472 -5.603 -3.700 10.600 1.00 0.00 C ATOM 747 C GLY A 472 -4.877 -5.030 10.567 1.00 0.00 C ATOM 748 O GLY A 472 -3.861 -5.173 9.885 1.00 0.00 O ATOM 0 H GLY A 472 -4.370 -2.901 9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -5.301 -3.147 11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -6.675 -3.877 10.683 1.00 0.00 H new ATOM 752 N ASP A 473 -5.395 -6.004 11.306 1.00 0.00 N ATOM 753 CA ASP A 473 -4.788 -7.329 11.359 1.00 0.00 C ATOM 754 C ASP A 473 -4.902 -8.033 10.010 1.00 0.00 C ATOM 755 O ASP A 473 -3.971 -8.709 9.572 1.00 0.00 O ATOM 756 CB ASP A 473 -5.453 -8.175 12.447 1.00 0.00 C ATOM 757 CG ASP A 473 -5.014 -7.773 13.841 1.00 0.00 C ATOM 758 OD1 ASP A 473 -5.380 -6.664 14.282 1.00 0.00 O ATOM 759 OD2 ASP A 473 -4.303 -8.568 14.492 1.00 0.00 O ATOM 0 H ASP A 473 -6.234 -5.901 11.877 1.00 0.00 H new ATOM 0 HA ASP A 473 -3.731 -7.208 11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -6.536 -8.078 12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -5.214 -9.226 12.283 1.00 0.00 H new ATOM 764 N ASP A 474 -6.047 -7.870 9.358 1.00 0.00 N ATOM 765 CA ASP A 474 -6.283 -8.489 8.059 1.00 0.00 C ATOM 766 C ASP A 474 -6.065 -7.486 6.931 1.00 0.00 C ATOM 767 O ASP A 474 -6.994 -7.149 6.197 1.00 0.00 O ATOM 768 CB ASP A 474 -7.702 -9.054 7.989 1.00 0.00 C ATOM 769 CG ASP A 474 -7.978 -10.065 9.085 1.00 0.00 C ATOM 770 OD1 ASP A 474 -7.515 -9.846 10.223 1.00 0.00 O ATOM 771 OD2 ASP A 474 -8.657 -11.075 8.803 1.00 0.00 O ATOM 0 H ASP A 474 -6.827 -7.314 9.708 1.00 0.00 H new ATOM 0 HA ASP A 474 -5.570 -9.304 7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 474 -8.419 -8.237 8.064 1.00 0.00 H new ATOM 0 HB3 ASP A 474 -7.855 -9.525 7.018 1.00 0.00 H new ATOM 776 N CYS A 475 -4.831 -7.010 6.799 1.00 0.00 N ATOM 777 CA CYS A 475 -4.490 -6.044 5.762 1.00 0.00 C ATOM 778 C CYS A 475 -4.308 -6.735 4.413 1.00 0.00 C ATOM 779 O CYS A 475 -3.813 -7.859 4.342 1.00 0.00 O ATOM 780 CB CYS A 475 -3.212 -5.291 6.137 1.00 0.00 C ATOM 781 SG CYS A 475 -2.692 -4.051 4.909 1.00 0.00 S ATOM 0 H CYS A 475 -4.050 -7.278 7.398 1.00 0.00 H new ATOM 0 HA CYS A 475 -5.312 -5.333 5.679 1.00 0.00 H new ATOM 0 HB2 CYS A 475 -3.363 -4.796 7.096 1.00 0.00 H new ATOM 0 HB3 CYS A 475 -2.406 -6.011 6.274 1.00 0.00 H new ATOM 0 HG CYS A 475 -3.471 -3.013 4.984 1.00 0.00 H new ATOM 786 N MET A 476 -4.713 -6.053 3.346 1.00 0.00 N ATOM 787 CA MET A 476 -4.594 -6.601 2.000 1.00 0.00 C ATOM 788 C MET A 476 -3.151 -6.995 1.699 1.00 0.00 C ATOM 789 O MET A 476 -2.895 -7.849 0.850 1.00 0.00 O ATOM 790 CB MET A 476 -5.082 -5.583 0.968 1.00 0.00 C ATOM 791 CG MET A 476 -4.056 -4.510 0.639 1.00 0.00 C ATOM 792 SD MET A 476 -2.811 -5.077 -0.536 1.00 0.00 S ATOM 793 CE MET A 476 -3.813 -5.320 -2.000 1.00 0.00 C ATOM 0 H MET A 476 -5.126 -5.121 3.388 1.00 0.00 H new ATOM 0 HA MET A 476 -5.216 -7.494 1.942 1.00 0.00 H new ATOM 0 HB2 MET A 476 -5.353 -6.108 0.052 1.00 0.00 H new ATOM 0 HB3 MET A 476 -5.988 -5.105 1.341 1.00 0.00 H new ATOM 0 HG2 MET A 476 -4.566 -3.638 0.229 1.00 0.00 H new ATOM 0 HG3 MET A 476 -3.564 -4.189 1.557 1.00 0.00 H new ATOM 0 HE1 MET A 476 -3.190 -5.215 -2.889 1.00 0.00 H new ATOM 0 HE2 MET A 476 -4.251 -6.318 -1.980 1.00 0.00 H new ATOM 0 HE3 MET A 476 -4.609 -4.575 -2.024 1.00 0.00 H new ATOM 803 N PHE A 477 -2.212 -6.368 2.401 1.00 0.00 N ATOM 804 CA PHE A 477 -0.795 -6.654 2.208 1.00 0.00 C ATOM 805 C PHE A 477 -0.252 -7.507 3.350 1.00 0.00 C ATOM 806 O PHE A 477 -0.840 -7.566 4.430 1.00 0.00 O ATOM 807 CB PHE A 477 0.000 -5.350 2.107 1.00 0.00 C ATOM 808 CG PHE A 477 -0.165 -4.648 0.789 1.00 0.00 C ATOM 809 CD1 PHE A 477 0.165 -5.285 -0.396 1.00 0.00 C ATOM 810 CD2 PHE A 477 -0.650 -3.351 0.736 1.00 0.00 C ATOM 811 CE1 PHE A 477 0.014 -4.642 -1.611 1.00 0.00 C ATOM 812 CE2 PHE A 477 -0.803 -2.703 -0.475 1.00 0.00 C ATOM 813 CZ PHE A 477 -0.470 -3.349 -1.650 1.00 0.00 C ATOM 0 H PHE A 477 -2.407 -5.659 3.108 1.00 0.00 H new ATOM 0 HA PHE A 477 -0.685 -7.212 1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -0.313 -4.680 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 477 1.057 -5.565 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 477 0.545 -6.296 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -0.911 -2.841 1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 477 0.274 -5.150 -2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -1.183 -1.692 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 477 -0.588 -2.844 -2.597 1.00 0.00 H new ATOM 823 N SER A 478 0.876 -8.167 3.103 1.00 0.00 N ATOM 824 CA SER A 478 1.497 -9.020 4.109 1.00 0.00 C ATOM 825 C SER A 478 2.291 -8.189 5.112 1.00 0.00 C ATOM 826 O SER A 478 2.878 -7.165 4.760 1.00 0.00 O ATOM 827 CB SER A 478 2.414 -10.046 3.440 1.00 0.00 C ATOM 828 OG SER A 478 1.674 -11.153 2.955 1.00 0.00 O ATOM 0 H SER A 478 1.377 -8.127 2.216 1.00 0.00 H new ATOM 0 HA SER A 478 0.706 -9.544 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 478 2.952 -9.575 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 478 3.162 -10.390 4.154 1.00 0.00 H new ATOM 0 HG SER A 478 1.625 -11.111 1.977 1.00 0.00 H new ATOM 834 N HIS A 479 2.305 -8.637 6.363 1.00 0.00 N ATOM 835 CA HIS A 479 3.028 -7.936 7.418 1.00 0.00 C ATOM 836 C HIS A 479 4.228 -8.751 7.889 1.00 0.00 C ATOM 837 O HIS A 479 4.717 -8.567 9.004 1.00 0.00 O ATOM 838 CB HIS A 479 2.098 -7.648 8.597 1.00 0.00 C ATOM 839 CG HIS A 479 1.137 -6.528 8.343 1.00 0.00 C ATOM 840 ND1 HIS A 479 0.018 -6.306 9.118 1.00 0.00 N ATOM 841 CD2 HIS A 479 1.135 -5.562 7.395 1.00 0.00 C ATOM 842 CE1 HIS A 479 -0.632 -5.253 8.655 1.00 0.00 C ATOM 843 NE2 HIS A 479 0.025 -4.783 7.611 1.00 0.00 N ATOM 0 H HIS A 479 1.824 -9.482 6.671 1.00 0.00 H new ATOM 0 HA HIS A 479 3.390 -6.992 7.011 1.00 0.00 H new ATOM 0 HB2 HIS A 479 1.536 -8.551 8.834 1.00 0.00 H new ATOM 0 HB3 HIS A 479 2.700 -7.407 9.473 1.00 0.00 H new ATOM 0 HD2 HIS A 479 1.869 -5.429 6.614 1.00 0.00 H new ATOM 0 HE1 HIS A 479 -1.546 -4.846 9.062 1.00 0.00 H new ATOM 0 HE2 HIS A 479 -0.248 -3.973 7.055 1.00 0.00 H new ATOM 851 N ASP A 480 4.698 -9.651 7.033 1.00 0.00 N ATOM 852 CA ASP A 480 5.842 -10.495 7.361 1.00 0.00 C ATOM 853 C ASP A 480 7.067 -9.646 7.686 1.00 0.00 C ATOM 854 O ASP A 480 7.185 -8.495 7.265 1.00 0.00 O ATOM 855 CB ASP A 480 6.154 -11.441 6.201 1.00 0.00 C ATOM 856 CG ASP A 480 5.021 -12.408 5.921 1.00 0.00 C ATOM 857 OD1 ASP A 480 4.541 -13.052 6.877 1.00 0.00 O ATOM 858 OD2 ASP A 480 4.614 -12.522 4.746 1.00 0.00 O ATOM 0 H ASP A 480 4.305 -9.815 6.106 1.00 0.00 H new ATOM 0 HA ASP A 480 5.587 -11.085 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 480 6.358 -10.856 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 480 7.060 -12.003 6.428 1.00 0.00 H new ATOM 863 N PRO A 481 8.002 -10.225 8.453 1.00 0.00 N ATOM 864 CA PRO A 481 9.235 -9.540 8.852 1.00 0.00 C ATOM 865 C PRO A 481 10.187 -9.330 7.680 1.00 0.00 C ATOM 866 O PRO A 481 10.742 -10.288 7.138 1.00 0.00 O ATOM 867 CB PRO A 481 9.853 -10.491 9.880 1.00 0.00 C ATOM 868 CG PRO A 481 9.313 -11.834 9.526 1.00 0.00 C ATOM 869 CD PRO A 481 7.928 -11.594 8.990 1.00 0.00 C ATOM 0 HA PRO A 481 9.038 -8.541 9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.942 -10.476 9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 481 9.578 -10.209 10.896 1.00 0.00 H new ATOM 0 HG2 PRO A 481 9.941 -12.323 8.781 1.00 0.00 H new ATOM 0 HG3 PRO A 481 9.286 -12.487 10.399 1.00 0.00 H new ATOM 0 HD2 PRO A 481 7.666 -12.316 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 481 7.174 -11.678 9.773 1.00 0.00 H new ATOM 877 N LEU A 482 10.373 -8.074 7.292 1.00 0.00 N ATOM 878 CA LEU A 482 11.260 -7.738 6.183 1.00 0.00 C ATOM 879 C LEU A 482 12.519 -8.599 6.212 1.00 0.00 C ATOM 880 O LEU A 482 13.188 -8.705 7.241 1.00 0.00 O ATOM 881 CB LEU A 482 11.639 -6.257 6.238 1.00 0.00 C ATOM 882 CG LEU A 482 10.602 -5.278 5.687 1.00 0.00 C ATOM 883 CD1 LEU A 482 11.142 -3.856 5.718 1.00 0.00 C ATOM 884 CD2 LEU A 482 10.199 -5.666 4.272 1.00 0.00 C ATOM 0 H LEU A 482 9.921 -7.270 7.729 1.00 0.00 H new ATOM 0 HA LEU A 482 10.729 -7.936 5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 482 11.843 -5.993 7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 482 12.569 -6.120 5.685 1.00 0.00 H new ATOM 0 HG LEU A 482 9.716 -5.323 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 482 10.391 -3.173 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 482 11.379 -3.579 6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 482 12.044 -3.796 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 482 9.460 -4.958 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 482 11.077 -5.651 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 482 9.770 -6.668 4.278 1.00 0.00 H new ATOM 896 N THR A 483 12.838 -9.211 5.076 1.00 0.00 N ATOM 897 CA THR A 483 14.016 -10.062 4.971 1.00 0.00 C ATOM 898 C THR A 483 15.152 -9.341 4.255 1.00 0.00 C ATOM 899 O THR A 483 15.009 -8.188 3.849 1.00 0.00 O ATOM 900 CB THR A 483 13.700 -11.370 4.222 1.00 0.00 C ATOM 901 OG1 THR A 483 12.884 -11.094 3.078 1.00 0.00 O ATOM 902 CG2 THR A 483 12.987 -12.357 5.133 1.00 0.00 C ATOM 0 H THR A 483 12.296 -9.133 4.215 1.00 0.00 H new ATOM 0 HA THR A 483 14.325 -10.301 5.989 1.00 0.00 H new ATOM 0 HB THR A 483 14.641 -11.814 3.898 1.00 0.00 H new ATOM 0 HG1 THR A 483 12.838 -10.126 2.935 1.00 0.00 H new ATOM 0 HG21 THR A 483 12.774 -13.273 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 483 13.623 -12.587 5.988 1.00 0.00 H new ATOM 0 HG23 THR A 483 12.052 -11.919 5.483 1.00 0.00 H new ATOM 910 N GLU A 484 16.280 -10.028 4.102 1.00 0.00 N ATOM 911 CA GLU A 484 17.441 -9.451 3.434 1.00 0.00 C ATOM 912 C GLU A 484 17.187 -9.298 1.938 1.00 0.00 C ATOM 913 O GLU A 484 17.715 -8.388 1.299 1.00 0.00 O ATOM 914 CB GLU A 484 18.677 -10.324 3.666 1.00 0.00 C ATOM 915 CG GLU A 484 18.725 -11.558 2.782 1.00 0.00 C ATOM 916 CD GLU A 484 17.946 -12.722 3.362 1.00 0.00 C ATOM 917 OE1 GLU A 484 16.719 -12.785 3.139 1.00 0.00 O ATOM 918 OE2 GLU A 484 18.563 -13.571 4.039 1.00 0.00 O ATOM 0 H GLU A 484 16.414 -10.984 4.431 1.00 0.00 H new ATOM 0 HA GLU A 484 17.618 -8.463 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 484 19.572 -9.727 3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 484 18.701 -10.635 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 484 18.324 -11.312 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 484 19.763 -11.857 2.638 1.00 0.00 H new ATOM 925 N GLU A 485 16.375 -10.195 1.386 1.00 0.00 N ATOM 926 CA GLU A 485 16.052 -10.160 -0.035 1.00 0.00 C ATOM 927 C GLU A 485 14.993 -9.101 -0.327 1.00 0.00 C ATOM 928 O GLU A 485 15.087 -8.366 -1.311 1.00 0.00 O ATOM 929 CB GLU A 485 15.561 -11.531 -0.503 1.00 0.00 C ATOM 930 CG GLU A 485 14.404 -12.075 0.317 1.00 0.00 C ATOM 931 CD GLU A 485 13.868 -13.385 -0.227 1.00 0.00 C ATOM 932 OE1 GLU A 485 13.456 -13.413 -1.406 1.00 0.00 O ATOM 933 OE2 GLU A 485 13.861 -14.382 0.525 1.00 0.00 O ATOM 0 H GLU A 485 15.929 -10.954 1.901 1.00 0.00 H new ATOM 0 HA GLU A 485 16.959 -9.901 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 485 15.254 -11.461 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 485 16.389 -12.238 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 485 14.730 -12.220 1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 485 13.601 -11.339 0.338 1.00 0.00 H new ATOM 940 N THR A 486 13.984 -9.029 0.535 1.00 0.00 N ATOM 941 CA THR A 486 12.905 -8.062 0.371 1.00 0.00 C ATOM 942 C THR A 486 13.403 -6.639 0.598 1.00 0.00 C ATOM 943 O THR A 486 13.174 -5.753 -0.225 1.00 0.00 O ATOM 944 CB THR A 486 11.742 -8.348 1.339 1.00 0.00 C ATOM 945 OG1 THR A 486 12.217 -8.341 2.690 1.00 0.00 O ATOM 946 CG2 THR A 486 11.098 -9.691 1.029 1.00 0.00 C ATOM 0 H THR A 486 13.891 -9.629 1.355 1.00 0.00 H new ATOM 0 HA THR A 486 12.546 -8.159 -0.654 1.00 0.00 H new ATOM 0 HB THR A 486 10.993 -7.566 1.214 1.00 0.00 H new ATOM 0 HG1 THR A 486 11.653 -7.751 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 486 10.279 -9.871 1.726 1.00 0.00 H new ATOM 0 HG22 THR A 486 10.712 -9.683 0.010 1.00 0.00 H new ATOM 0 HG23 THR A 486 11.841 -10.482 1.129 1.00 0.00 H new ATOM 954 N ARG A 487 14.085 -6.428 1.719 1.00 0.00 N ATOM 955 CA ARG A 487 14.615 -5.112 2.054 1.00 0.00 C ATOM 956 C ARG A 487 15.165 -4.415 0.813 1.00 0.00 C ATOM 957 O ARG A 487 15.126 -3.189 0.710 1.00 0.00 O ATOM 958 CB ARG A 487 15.713 -5.235 3.112 1.00 0.00 C ATOM 959 CG ARG A 487 15.857 -4.000 3.987 1.00 0.00 C ATOM 960 CD ARG A 487 16.192 -2.768 3.161 1.00 0.00 C ATOM 961 NE ARG A 487 16.990 -1.804 3.914 1.00 0.00 N ATOM 962 CZ ARG A 487 18.312 -1.870 4.022 1.00 0.00 C ATOM 963 NH1 ARG A 487 18.981 -2.849 3.429 1.00 0.00 N ATOM 964 NH2 ARG A 487 18.968 -0.955 4.725 1.00 0.00 N ATOM 0 H ARG A 487 14.283 -7.151 2.410 1.00 0.00 H new ATOM 0 HA ARG A 487 13.799 -4.511 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 487 15.500 -6.096 3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 487 16.664 -5.431 2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 487 14.930 -3.831 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 487 16.639 -4.167 4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 487 16.737 -3.069 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 487 15.269 -2.293 2.828 1.00 0.00 H new ATOM 0 HE ARG A 487 16.506 -1.038 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 487 18.480 -3.554 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 487 19.996 -2.897 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 487 18.457 -0.200 5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 487 19.983 -1.006 4.807 1.00 0.00 H new ATOM 978 N GLU A 488 15.678 -5.205 -0.125 1.00 0.00 N ATOM 979 CA GLU A 488 16.237 -4.663 -1.357 1.00 0.00 C ATOM 980 C GLU A 488 15.137 -4.099 -2.252 1.00 0.00 C ATOM 981 O GLU A 488 15.296 -3.037 -2.856 1.00 0.00 O ATOM 982 CB GLU A 488 17.016 -5.745 -2.109 1.00 0.00 C ATOM 983 CG GLU A 488 18.405 -5.997 -1.547 1.00 0.00 C ATOM 984 CD GLU A 488 19.311 -6.714 -2.529 1.00 0.00 C ATOM 985 OE1 GLU A 488 18.784 -7.425 -3.411 1.00 0.00 O ATOM 986 OE2 GLU A 488 20.545 -6.565 -2.417 1.00 0.00 O ATOM 0 H GLU A 488 15.718 -6.222 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 488 16.917 -3.853 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 488 16.448 -6.675 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 488 17.104 -5.456 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 488 18.858 -5.046 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 488 18.322 -6.589 -0.636 1.00 0.00 H new ATOM 993 N LEU A 489 14.022 -4.816 -2.332 1.00 0.00 N ATOM 994 CA LEU A 489 12.895 -4.388 -3.153 1.00 0.00 C ATOM 995 C LEU A 489 12.473 -2.965 -2.800 1.00 0.00 C ATOM 996 O LEU A 489 12.606 -2.047 -3.611 1.00 0.00 O ATOM 997 CB LEU A 489 11.713 -5.342 -2.969 1.00 0.00 C ATOM 998 CG LEU A 489 12.003 -6.824 -3.211 1.00 0.00 C ATOM 999 CD1 LEU A 489 10.807 -7.674 -2.811 1.00 0.00 C ATOM 1000 CD2 LEU A 489 12.369 -7.065 -4.668 1.00 0.00 C ATOM 0 H LEU A 489 13.874 -5.696 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 489 13.210 -4.406 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 489 11.334 -5.228 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 489 10.914 -5.034 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 489 12.852 -7.115 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 489 11.032 -8.725 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 489 10.592 -7.524 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 489 9.939 -7.382 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 489 12.572 -8.125 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 489 11.541 -6.758 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 489 13.257 -6.485 -4.921 1.00 0.00 H new ATOM 1012 N LEU A 490 11.968 -2.787 -1.584 1.00 0.00 N ATOM 1013 CA LEU A 490 11.529 -1.475 -1.122 1.00 0.00 C ATOM 1014 C LEU A 490 12.489 -0.385 -1.587 1.00 0.00 C ATOM 1015 O LEU A 490 12.087 0.566 -2.257 1.00 0.00 O ATOM 1016 CB LEU A 490 11.422 -1.460 0.404 1.00 0.00 C ATOM 1017 CG LEU A 490 10.327 -2.338 1.009 1.00 0.00 C ATOM 1018 CD1 LEU A 490 10.484 -2.423 2.519 1.00 0.00 C ATOM 1019 CD2 LEU A 490 8.950 -1.803 0.643 1.00 0.00 C ATOM 0 H LEU A 490 11.852 -3.535 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 490 10.547 -1.275 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 490 12.381 -1.772 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 490 11.255 -0.432 0.726 1.00 0.00 H new ATOM 0 HG LEU A 490 10.425 -3.342 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 490 9.696 -3.052 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 490 11.456 -2.854 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 490 10.413 -1.424 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 490 8.183 -2.441 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 490 8.841 -0.788 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 490 8.839 -1.796 -0.441 1.00 0.00 H new ATOM 1031 N ASP A 491 13.760 -0.532 -1.229 1.00 0.00 N ATOM 1032 CA ASP A 491 14.779 0.439 -1.613 1.00 0.00 C ATOM 1033 C ASP A 491 14.559 0.922 -3.043 1.00 0.00 C ATOM 1034 O ASP A 491 14.698 2.109 -3.337 1.00 0.00 O ATOM 1035 CB ASP A 491 16.174 -0.174 -1.477 1.00 0.00 C ATOM 1036 CG ASP A 491 16.569 -0.400 -0.030 1.00 0.00 C ATOM 1037 OD1 ASP A 491 15.703 -0.827 0.761 1.00 0.00 O ATOM 1038 OD2 ASP A 491 17.744 -0.148 0.310 1.00 0.00 O ATOM 0 H ASP A 491 14.109 -1.313 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 491 14.700 1.296 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 491 16.204 -1.124 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 491 16.904 0.482 -1.952 1.00 0.00 H new ATOM 1043 N LYS A 492 14.217 -0.007 -3.929 1.00 0.00 N ATOM 1044 CA LYS A 492 13.977 0.322 -5.329 1.00 0.00 C ATOM 1045 C LYS A 492 12.581 0.907 -5.519 1.00 0.00 C ATOM 1046 O LYS A 492 12.400 1.882 -6.248 1.00 0.00 O ATOM 1047 CB LYS A 492 14.144 -0.923 -6.203 1.00 0.00 C ATOM 1048 CG LYS A 492 14.205 -0.618 -7.690 1.00 0.00 C ATOM 1049 CD LYS A 492 15.521 0.040 -8.070 1.00 0.00 C ATOM 1050 CE LYS A 492 16.658 -0.969 -8.111 1.00 0.00 C ATOM 1051 NZ LYS A 492 16.760 -1.636 -9.439 1.00 0.00 N ATOM 0 H LYS A 492 14.100 -0.995 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 492 14.709 1.071 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 492 15.056 -1.443 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 492 13.314 -1.604 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 492 14.081 -1.541 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 492 13.377 0.037 -7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 492 15.422 0.518 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 492 15.756 0.826 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 492 17.598 -0.466 -7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 492 16.504 -1.721 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 17.547 -2.316 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 15.872 -2.137 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 16.932 -0.921 -10.174 1.00 0.00 H new ATOM 1065 N MET A 493 11.597 0.305 -4.858 1.00 0.00 N ATOM 1066 CA MET A 493 10.218 0.768 -4.953 1.00 0.00 C ATOM 1067 C MET A 493 10.096 2.213 -4.481 1.00 0.00 C ATOM 1068 O MET A 493 9.739 3.102 -5.255 1.00 0.00 O ATOM 1069 CB MET A 493 9.297 -0.131 -4.126 1.00 0.00 C ATOM 1070 CG MET A 493 7.826 0.014 -4.481 1.00 0.00 C ATOM 1071 SD MET A 493 7.076 1.481 -3.748 1.00 0.00 S ATOM 1072 CE MET A 493 6.880 0.948 -2.049 1.00 0.00 C ATOM 0 H MET A 493 11.730 -0.504 -4.251 1.00 0.00 H new ATOM 0 HA MET A 493 9.916 0.720 -5.999 1.00 0.00 H new ATOM 0 HB2 MET A 493 9.595 -1.170 -4.266 1.00 0.00 H new ATOM 0 HB3 MET A 493 9.432 0.099 -3.069 1.00 0.00 H new ATOM 0 HG2 MET A 493 7.721 0.060 -5.565 1.00 0.00 H new ATOM 0 HG3 MET A 493 7.286 -0.872 -4.145 1.00 0.00 H new ATOM 0 HE1 MET A 493 5.820 0.927 -1.794 1.00 0.00 H new ATOM 0 HE2 MET A 493 7.302 -0.050 -1.930 1.00 0.00 H new ATOM 0 HE3 MET A 493 7.398 1.643 -1.388 1.00 0.00 H new ATOM 1082 N LEU A 494 10.393 2.441 -3.207 1.00 0.00 N ATOM 1083 CA LEU A 494 10.317 3.779 -2.631 1.00 0.00 C ATOM 1084 C LEU A 494 11.041 4.793 -3.511 1.00 0.00 C ATOM 1085 O LEU A 494 10.455 5.785 -3.944 1.00 0.00 O ATOM 1086 CB LEU A 494 10.919 3.786 -1.224 1.00 0.00 C ATOM 1087 CG LEU A 494 10.177 2.960 -0.173 1.00 0.00 C ATOM 1088 CD1 LEU A 494 11.053 2.742 1.051 1.00 0.00 C ATOM 1089 CD2 LEU A 494 8.872 3.640 0.217 1.00 0.00 C ATOM 0 H LEU A 494 10.689 1.717 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 494 9.266 4.062 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 494 11.944 3.421 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 494 10.969 4.818 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 494 9.942 1.987 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 494 10.508 2.152 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 494 11.959 2.211 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 494 11.320 3.706 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 494 8.358 3.038 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 494 9.085 4.627 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 494 8.238 3.743 -0.664 1.00 0.00 H new