USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 418 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 40 CYS SG : rot -158:sc= 1.06 USER MOD Set 1.2: A 43 CYS SG : rot -96:sc= -2.17 USER MOD Set 1.3: A 70 CYS SG : rot 180:sc= 1.08 USER MOD Set 1.4: A 73 CYS SG : rot 71:sc= -0.461 USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0.257 USER MOD Set 2.2: A 34 THR OG1 : rot -38:sc= 0.204 USER MOD Set 3.1: A 24 CYS SG : rot -144:sc= -1.44 USER MOD Set 3.2: A 27 CYS SG : rot 180:sc= -0.831 USER MOD Set 3.3: A 29 CYS SG : rot -96:sc= -0.942 USER MOD Set 3.4: A 48 CYS SG : rot -153:sc= 0.54 USER MOD Set 3.5: A 51 CYS SG : rot 106:sc= 1.33 USER MOD Single : A 25 ASN : amide:sc= -2.02! C(o=-2!,f=-4.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.17) USER MOD Single : A 39 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-0.59) USER MOD Single : A 42 ASN : amide:sc= -22.2! C(o=-22!,f=-26!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -89:sc= 0.206 USER MOD Single : A 54 HIS :FLIP no HE2:sc= -0.0105 F(o=-1.1,f=-0.01) USER MOD Single : A 60 MET CE :methyl -166:sc= -0.0471 (180deg=-0.352) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 295 N ALA A 21 2.499 -12.627 -13.380 1.00 0.00 N ATOM 296 CA ALA A 21 3.487 -12.887 -12.343 1.00 0.00 C ATOM 297 C ALA A 21 3.474 -14.359 -11.950 1.00 0.00 C ATOM 298 O ALA A 21 2.978 -14.727 -10.886 1.00 0.00 O ATOM 299 CB ALA A 21 3.219 -12.013 -11.127 1.00 0.00 C ATOM 0 HA ALA A 21 4.474 -12.644 -12.737 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.966 -12.218 -10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.273 -10.963 -11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.226 -12.231 -10.734 1.00 0.00 H new ATOM 305 N PRO A 22 4.024 -15.223 -12.819 1.00 0.00 N ATOM 306 CA PRO A 22 4.083 -16.667 -12.578 1.00 0.00 C ATOM 307 C PRO A 22 5.174 -17.044 -11.586 1.00 0.00 C ATOM 308 O PRO A 22 5.237 -18.173 -11.101 1.00 0.00 O ATOM 309 CB PRO A 22 4.403 -17.228 -13.959 1.00 0.00 C ATOM 310 CG PRO A 22 5.196 -16.155 -14.619 1.00 0.00 C ATOM 311 CD PRO A 22 4.637 -14.852 -14.109 1.00 0.00 C ATOM 0 HA PRO A 22 3.161 -17.052 -12.143 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.971 -18.156 -13.889 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.494 -17.451 -14.518 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.255 -16.247 -14.376 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.111 -16.218 -15.704 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.418 -14.102 -13.982 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.903 -14.433 -14.797 1.00 0.00 H new ATOM 319 N ALA A 23 6.028 -16.073 -11.292 1.00 0.00 N ATOM 320 CA ALA A 23 7.126 -16.264 -10.355 1.00 0.00 C ATOM 321 C ALA A 23 7.216 -15.080 -9.402 1.00 0.00 C ATOM 322 O ALA A 23 6.759 -13.983 -9.724 1.00 0.00 O ATOM 323 CB ALA A 23 8.438 -16.446 -11.103 1.00 0.00 C ATOM 0 H ALA A 23 5.980 -15.137 -11.693 1.00 0.00 H new ATOM 0 HA ALA A 23 6.935 -17.166 -9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.248 -16.587 -10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.369 -17.320 -11.751 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.638 -15.561 -11.707 1.00 0.00 H new ATOM 329 N CYS A 24 7.789 -15.300 -8.223 1.00 0.00 N ATOM 330 CA CYS A 24 7.913 -14.242 -7.229 1.00 0.00 C ATOM 331 C CYS A 24 8.812 -13.117 -7.723 1.00 0.00 C ATOM 332 O CYS A 24 9.950 -13.346 -8.135 1.00 0.00 O ATOM 333 CB CYS A 24 8.460 -14.803 -5.919 1.00 0.00 C ATOM 334 SG CYS A 24 8.307 -13.666 -4.524 1.00 0.00 S ATOM 0 H CYS A 24 8.174 -16.199 -7.934 1.00 0.00 H new ATOM 0 HA CYS A 24 6.917 -13.833 -7.058 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.934 -15.728 -5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.511 -15.059 -6.054 1.00 0.00 H new ATOM 0 HG CYS A 24 9.340 -13.794 -3.745 1.00 0.00 H new ATOM 340 N ASN A 25 8.289 -11.900 -7.666 1.00 0.00 N ATOM 341 CA ASN A 25 9.027 -10.719 -8.089 1.00 0.00 C ATOM 342 C ASN A 25 10.292 -10.537 -7.254 1.00 0.00 C ATOM 343 O ASN A 25 11.258 -9.918 -7.702 1.00 0.00 O ATOM 344 CB ASN A 25 8.140 -9.478 -7.975 1.00 0.00 C ATOM 345 CG ASN A 25 6.959 -9.526 -8.926 1.00 0.00 C ATOM 346 OD1 ASN A 25 5.807 -9.574 -8.499 1.00 0.00 O ATOM 347 ND2 ASN A 25 7.245 -9.517 -10.223 1.00 0.00 N ATOM 0 H ASN A 25 7.347 -11.705 -7.327 1.00 0.00 H new ATOM 0 HA ASN A 25 9.322 -10.855 -9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.776 -9.387 -6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.735 -8.588 -8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.493 -9.551 -10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.217 -9.476 -10.531 1.00 0.00 H new ATOM 354 N GLY A 26 10.269 -11.052 -6.027 1.00 0.00 N ATOM 355 CA GLY A 26 11.409 -10.905 -5.141 1.00 0.00 C ATOM 356 C GLY A 26 12.439 -12.015 -5.261 1.00 0.00 C ATOM 357 O GLY A 26 13.619 -11.744 -5.477 1.00 0.00 O ATOM 0 H GLY A 26 9.482 -11.567 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.894 -9.951 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.052 -10.866 -4.112 1.00 0.00 H new ATOM 361 N CYS A 27 12.010 -13.262 -5.087 1.00 0.00 N ATOM 362 CA CYS A 27 12.935 -14.391 -5.147 1.00 0.00 C ATOM 363 C CYS A 27 12.850 -15.158 -6.464 1.00 0.00 C ATOM 364 O CYS A 27 13.635 -16.076 -6.698 1.00 0.00 O ATOM 365 CB CYS A 27 12.684 -15.343 -3.975 1.00 0.00 C ATOM 366 SG CYS A 27 11.078 -16.174 -4.030 1.00 0.00 S ATOM 0 H CYS A 27 11.039 -13.515 -4.905 1.00 0.00 H new ATOM 0 HA CYS A 27 13.941 -13.976 -5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.471 -16.097 -3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.760 -14.783 -3.043 1.00 0.00 H new ATOM 0 HG CYS A 27 10.959 -16.958 -3.000 1.00 0.00 H new ATOM 372 N GLY A 28 11.920 -14.779 -7.333 1.00 0.00 N ATOM 373 CA GLY A 28 11.799 -15.452 -8.614 1.00 0.00 C ATOM 374 C GLY A 28 11.250 -16.863 -8.506 1.00 0.00 C ATOM 375 O GLY A 28 11.244 -17.604 -9.488 1.00 0.00 O ATOM 0 H GLY A 28 11.252 -14.024 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.149 -14.866 -9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.778 -15.487 -9.091 1.00 0.00 H new ATOM 379 N CYS A 29 10.781 -17.242 -7.321 1.00 0.00 N ATOM 380 CA CYS A 29 10.228 -18.579 -7.129 1.00 0.00 C ATOM 381 C CYS A 29 8.903 -18.707 -7.869 1.00 0.00 C ATOM 382 O CYS A 29 8.132 -17.752 -7.950 1.00 0.00 O ATOM 383 CB CYS A 29 10.035 -18.884 -5.644 1.00 0.00 C ATOM 384 SG CYS A 29 8.572 -18.111 -4.915 1.00 0.00 S ATOM 0 H CYS A 29 10.772 -16.652 -6.489 1.00 0.00 H new ATOM 0 HA CYS A 29 10.935 -19.303 -7.535 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.966 -19.964 -5.512 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.918 -18.552 -5.098 1.00 0.00 H new ATOM 0 HG CYS A 29 8.912 -16.996 -4.339 1.00 0.00 H new ATOM 390 N VAL A 30 8.656 -19.882 -8.432 1.00 0.00 N ATOM 391 CA VAL A 30 7.434 -20.114 -9.193 1.00 0.00 C ATOM 392 C VAL A 30 6.245 -20.405 -8.289 1.00 0.00 C ATOM 393 O VAL A 30 6.355 -21.149 -7.313 1.00 0.00 O ATOM 394 CB VAL A 30 7.586 -21.284 -10.181 1.00 0.00 C ATOM 395 CG1 VAL A 30 6.745 -21.042 -11.426 1.00 0.00 C ATOM 396 CG2 VAL A 30 9.046 -21.505 -10.543 1.00 0.00 C ATOM 0 H VAL A 30 9.281 -20.686 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 30 7.253 -19.192 -9.745 1.00 0.00 H new ATOM 0 HB VAL A 30 7.224 -22.191 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.864 -21.879 -12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.696 -20.950 -11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.072 -20.123 -11.913 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.126 -22.337 -11.242 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.447 -20.603 -11.005 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.614 -21.733 -9.641 1.00 0.00 H new ATOM 406 N PHE A 31 5.105 -19.821 -8.633 1.00 0.00 N ATOM 407 CA PHE A 31 3.881 -20.019 -7.869 1.00 0.00 C ATOM 408 C PHE A 31 3.182 -21.299 -8.308 1.00 0.00 C ATOM 409 O PHE A 31 3.025 -21.569 -9.500 1.00 0.00 O ATOM 410 CB PHE A 31 2.942 -18.823 -8.039 1.00 0.00 C ATOM 411 CG PHE A 31 3.473 -17.565 -7.416 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.315 -17.330 -6.061 1.00 0.00 C ATOM 413 CD2 PHE A 31 4.136 -16.622 -8.185 1.00 0.00 C ATOM 414 CE1 PHE A 31 3.807 -16.178 -5.482 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.632 -15.468 -7.611 1.00 0.00 C ATOM 416 CZ PHE A 31 4.468 -15.246 -6.259 1.00 0.00 C ATOM 0 H PHE A 31 5.003 -19.204 -9.439 1.00 0.00 H new ATOM 0 HA PHE A 31 4.146 -20.107 -6.815 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.771 -18.651 -9.102 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.975 -19.061 -7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.801 -18.057 -5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.266 -16.791 -9.244 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.676 -16.005 -4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.148 -14.740 -8.220 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.856 -14.344 -5.808 1.00 0.00 H new ATOM 426 N THR A 32 2.772 -22.081 -7.319 1.00 0.00 N ATOM 427 CA THR A 32 2.092 -23.343 -7.565 1.00 0.00 C ATOM 428 C THR A 32 0.769 -23.404 -6.812 1.00 0.00 C ATOM 429 O THR A 32 0.483 -22.561 -5.962 1.00 0.00 O ATOM 430 CB THR A 32 2.985 -24.516 -7.157 1.00 0.00 C ATOM 431 OG1 THR A 32 3.067 -24.618 -5.745 1.00 0.00 O ATOM 432 CG2 THR A 32 4.395 -24.405 -7.691 1.00 0.00 C ATOM 0 H THR A 32 2.900 -21.860 -6.331 1.00 0.00 H new ATOM 0 HA THR A 32 1.882 -23.413 -8.632 1.00 0.00 H new ATOM 0 HB THR A 32 2.517 -25.400 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.641 -25.375 -5.504 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.976 -25.268 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.370 -24.374 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.857 -23.493 -7.312 1.00 0.00 H new ATOM 440 N THR A 33 -0.032 -24.413 -7.131 1.00 0.00 N ATOM 441 CA THR A 33 -1.327 -24.601 -6.491 1.00 0.00 C ATOM 442 C THR A 33 -1.223 -24.461 -4.975 1.00 0.00 C ATOM 443 O THR A 33 -2.108 -23.887 -4.339 1.00 0.00 O ATOM 444 CB THR A 33 -1.894 -25.979 -6.841 1.00 0.00 C ATOM 445 OG1 THR A 33 -1.909 -26.174 -8.244 1.00 0.00 O ATOM 446 CG2 THR A 33 -3.306 -26.191 -6.336 1.00 0.00 C ATOM 0 H THR A 33 0.195 -25.117 -7.833 1.00 0.00 H new ATOM 0 HA THR A 33 -1.997 -23.825 -6.862 1.00 0.00 H new ATOM 0 HB THR A 33 -1.236 -26.695 -6.349 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.273 -27.061 -8.447 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.648 -27.187 -6.618 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.322 -26.095 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.966 -25.443 -6.776 1.00 0.00 H new ATOM 454 N THR A 34 -0.153 -24.991 -4.391 1.00 0.00 N ATOM 455 CA THR A 34 0.023 -24.914 -2.944 1.00 0.00 C ATOM 456 C THR A 34 0.410 -23.503 -2.503 1.00 0.00 C ATOM 457 O THR A 34 0.138 -23.116 -1.367 1.00 0.00 O ATOM 458 CB THR A 34 1.067 -25.925 -2.469 1.00 0.00 C ATOM 459 OG1 THR A 34 2.346 -25.610 -2.992 1.00 0.00 O ATOM 460 CG2 THR A 34 0.748 -27.350 -2.864 1.00 0.00 C ATOM 0 H THR A 34 0.596 -25.472 -4.889 1.00 0.00 H new ATOM 0 HA THR A 34 -0.934 -25.160 -2.484 1.00 0.00 H new ATOM 0 HB THR A 34 1.057 -25.857 -1.381 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.252 -25.283 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.530 -28.014 -2.495 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.209 -27.642 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.693 -27.423 -3.950 1.00 0.00 H new ATOM 468 N VAL A 35 1.031 -22.730 -3.388 1.00 0.00 N ATOM 469 CA VAL A 35 1.419 -21.369 -3.035 1.00 0.00 C ATOM 470 C VAL A 35 0.398 -20.358 -3.533 1.00 0.00 C ATOM 471 O VAL A 35 0.235 -20.155 -4.737 1.00 0.00 O ATOM 472 CB VAL A 35 2.793 -20.988 -3.609 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.105 -19.531 -3.309 1.00 0.00 C ATOM 474 CG2 VAL A 35 3.883 -21.891 -3.057 1.00 0.00 C ATOM 0 H VAL A 35 1.273 -23.015 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 35 1.469 -21.345 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 35 2.760 -21.123 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.081 -19.276 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.343 -18.895 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.115 -19.376 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.845 -21.600 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.919 -21.796 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.668 -22.926 -3.324 1.00 0.00 H new ATOM 484 N ARG A 36 -0.273 -19.724 -2.590 1.00 0.00 N ATOM 485 CA ARG A 36 -1.279 -18.716 -2.899 1.00 0.00 C ATOM 486 C ARG A 36 -0.624 -17.401 -3.306 1.00 0.00 C ATOM 487 O ARG A 36 0.464 -17.066 -2.839 1.00 0.00 O ATOM 488 CB ARG A 36 -2.193 -18.495 -1.691 1.00 0.00 C ATOM 489 CG ARG A 36 -3.033 -19.712 -1.339 1.00 0.00 C ATOM 490 CD ARG A 36 -3.972 -19.429 -0.177 1.00 0.00 C ATOM 491 NE ARG A 36 -4.660 -20.635 0.276 1.00 0.00 N ATOM 492 CZ ARG A 36 -4.049 -21.649 0.880 1.00 0.00 C ATOM 493 NH1 ARG A 36 -2.746 -21.594 1.117 1.00 0.00 N ATOM 494 NH2 ARG A 36 -4.741 -22.718 1.252 1.00 0.00 N ATOM 0 H ARG A 36 -0.140 -19.889 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.876 -19.076 -3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.584 -18.221 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.854 -17.653 -1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.613 -20.018 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.378 -20.545 -1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.406 -19.002 0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.708 -18.683 -0.479 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.666 -20.703 0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.211 -20.773 0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.279 -22.373 1.581 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.744 -22.763 1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.270 -23.495 1.715 1.00 0.00 H new ATOM 508 N ARG A 37 -1.299 -16.658 -4.175 1.00 0.00 N ATOM 509 CA ARG A 37 -0.782 -15.376 -4.637 1.00 0.00 C ATOM 510 C ARG A 37 -1.029 -14.292 -3.599 1.00 0.00 C ATOM 511 O ARG A 37 -2.083 -14.252 -2.963 1.00 0.00 O ATOM 512 CB ARG A 37 -1.424 -14.969 -5.966 1.00 0.00 C ATOM 513 CG ARG A 37 -0.901 -13.642 -6.496 1.00 0.00 C ATOM 514 CD ARG A 37 -1.527 -13.275 -7.830 1.00 0.00 C ATOM 515 NE ARG A 37 -2.983 -13.185 -7.744 1.00 0.00 N ATOM 516 CZ ARG A 37 -3.716 -12.311 -8.429 1.00 0.00 C ATOM 517 NH1 ARG A 37 -3.136 -11.444 -9.249 1.00 0.00 N ATOM 518 NH2 ARG A 37 -5.035 -12.305 -8.295 1.00 0.00 N ATOM 0 H ARG A 37 -2.201 -16.920 -4.572 1.00 0.00 H new ATOM 0 HA ARG A 37 0.292 -15.489 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.240 -15.748 -6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.504 -14.902 -5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.107 -12.855 -5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.182 -13.698 -6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.124 -12.321 -8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.253 -14.020 -8.577 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.467 -13.832 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.122 -11.445 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.704 -10.777 -9.771 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.487 -12.970 -7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.598 -11.635 -8.820 1.00 0.00 H new ATOM 532 N HIS A 38 -0.050 -13.413 -3.436 1.00 0.00 N ATOM 533 CA HIS A 38 -0.157 -12.325 -2.475 1.00 0.00 C ATOM 534 C HIS A 38 0.434 -11.038 -3.040 1.00 0.00 C ATOM 535 O HIS A 38 1.236 -11.072 -3.971 1.00 0.00 O ATOM 536 CB HIS A 38 0.549 -12.702 -1.172 1.00 0.00 C ATOM 537 CG HIS A 38 -0.007 -13.932 -0.522 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.260 -13.979 0.054 1.00 0.00 N ATOM 539 CD2 HIS A 38 0.527 -15.164 -0.357 1.00 0.00 C ATOM 540 CE1 HIS A 38 -1.470 -15.187 0.547 1.00 0.00 C ATOM 541 NE2 HIS A 38 -0.402 -15.925 0.309 1.00 0.00 N ATOM 0 H HIS A 38 0.827 -13.432 -3.957 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.214 -12.153 -2.270 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.609 -12.856 -1.374 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.475 -11.868 -0.474 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.503 -15.489 -0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.363 -15.515 1.058 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.286 -16.902 0.576 1.00 0.00 H new ATOM 550 N HIS A 39 0.027 -9.908 -2.479 1.00 0.00 N ATOM 551 CA HIS A 39 0.513 -8.613 -2.943 1.00 0.00 C ATOM 552 C HIS A 39 1.103 -7.800 -1.799 1.00 0.00 C ATOM 553 O HIS A 39 0.604 -7.839 -0.675 1.00 0.00 O ATOM 554 CB HIS A 39 -0.623 -7.825 -3.600 1.00 0.00 C ATOM 555 CG HIS A 39 -1.290 -8.552 -4.726 1.00 0.00 C ATOM 556 ND1 HIS A 39 -0.649 -8.870 -5.904 1.00 0.00 N ATOM 557 CD2 HIS A 39 -2.555 -9.021 -4.849 1.00 0.00 C ATOM 558 CE1 HIS A 39 -1.490 -9.503 -6.704 1.00 0.00 C ATOM 559 NE2 HIS A 39 -2.652 -9.607 -6.086 1.00 0.00 N ATOM 0 H HIS A 39 -0.636 -9.860 -1.705 1.00 0.00 H new ATOM 0 HA HIS A 39 1.299 -8.797 -3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.369 -7.583 -2.844 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.229 -6.880 -3.973 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.340 -8.947 -4.111 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.265 -9.872 -7.694 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.487 -10.051 -6.467 1.00 0.00 H new ATOM 568 N CYS A 40 2.143 -7.028 -2.102 1.00 0.00 N ATOM 569 CA CYS A 40 2.782 -6.163 -1.122 1.00 0.00 C ATOM 570 C CYS A 40 2.112 -4.792 -1.175 1.00 0.00 C ATOM 571 O CYS A 40 1.789 -4.291 -2.252 1.00 0.00 O ATOM 572 CB CYS A 40 4.279 -6.047 -1.425 1.00 0.00 C ATOM 573 SG CYS A 40 5.135 -4.799 -0.438 1.00 0.00 S ATOM 0 H CYS A 40 2.563 -6.986 -3.031 1.00 0.00 H new ATOM 0 HA CYS A 40 2.672 -6.582 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.750 -7.015 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.408 -5.811 -2.481 1.00 0.00 H new ATOM 0 HG CYS A 40 6.227 -4.440 -1.045 1.00 0.00 H new ATOM 579 N ARG A 41 1.864 -4.212 -0.005 1.00 0.00 N ATOM 580 CA ARG A 41 1.181 -2.921 0.087 1.00 0.00 C ATOM 581 C ARG A 41 2.062 -1.753 -0.349 1.00 0.00 C ATOM 582 O ARG A 41 1.594 -0.620 -0.443 1.00 0.00 O ATOM 583 CB ARG A 41 0.695 -2.694 1.518 1.00 0.00 C ATOM 584 CG ARG A 41 -0.233 -3.788 2.022 1.00 0.00 C ATOM 585 CD ARG A 41 -1.527 -3.826 1.229 1.00 0.00 C ATOM 586 NE ARG A 41 -2.481 -4.780 1.786 1.00 0.00 N ATOM 587 CZ ARG A 41 -3.128 -4.590 2.929 1.00 0.00 C ATOM 588 NH1 ARG A 41 -2.928 -3.482 3.629 1.00 0.00 N ATOM 589 NH2 ARG A 41 -3.976 -5.508 3.374 1.00 0.00 N ATOM 0 H ARG A 41 2.125 -4.614 0.895 1.00 0.00 H new ATOM 0 HA ARG A 41 0.334 -2.958 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.558 -2.626 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.177 -1.736 1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.268 -4.753 1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.455 -3.622 3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.974 -2.832 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.311 -4.092 0.194 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.660 -5.640 1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.276 -2.775 3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.426 -3.337 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.132 -6.361 2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.472 -5.360 4.253 1.00 0.00 H new ATOM 603 N ASN A 42 3.332 -2.025 -0.615 1.00 0.00 N ATOM 604 CA ASN A 42 4.260 -0.983 -1.038 1.00 0.00 C ATOM 605 C ASN A 42 4.489 -1.008 -2.546 1.00 0.00 C ATOM 606 O ASN A 42 4.025 -0.126 -3.266 1.00 0.00 O ATOM 607 CB ASN A 42 5.595 -1.133 -0.309 1.00 0.00 C ATOM 608 CG ASN A 42 5.490 -0.818 1.166 1.00 0.00 C ATOM 609 OD1 ASN A 42 4.990 0.237 1.547 1.00 0.00 O ATOM 610 ND2 ASN A 42 5.964 -1.730 2.003 1.00 0.00 N ATOM 0 H ASN A 42 3.744 -2.956 -0.546 1.00 0.00 H new ATOM 0 HA ASN A 42 3.812 -0.023 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.961 -2.152 -0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.331 -0.472 -0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.922 -1.569 3.009 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.371 -2.592 1.641 1.00 0.00 H new ATOM 617 N CYS A 43 5.222 -2.008 -3.017 1.00 0.00 N ATOM 618 CA CYS A 43 5.523 -2.118 -4.438 1.00 0.00 C ATOM 619 C CYS A 43 4.313 -2.596 -5.232 1.00 0.00 C ATOM 620 O CYS A 43 4.190 -2.315 -6.425 1.00 0.00 O ATOM 621 CB CYS A 43 6.709 -3.058 -4.665 1.00 0.00 C ATOM 622 SG CYS A 43 6.398 -4.780 -4.208 1.00 0.00 S ATOM 0 H CYS A 43 5.617 -2.751 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 43 5.786 -1.123 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.991 -3.020 -5.717 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.562 -2.692 -4.093 1.00 0.00 H new ATOM 0 HG CYS A 43 6.843 -4.997 -3.006 1.00 0.00 H new ATOM 628 N GLY A 44 3.412 -3.305 -4.559 1.00 0.00 N ATOM 629 CA GLY A 44 2.214 -3.794 -5.217 1.00 0.00 C ATOM 630 C GLY A 44 2.492 -4.956 -6.148 1.00 0.00 C ATOM 631 O GLY A 44 1.723 -5.225 -7.067 1.00 0.00 O ATOM 0 H GLY A 44 3.490 -3.549 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.490 -4.103 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.758 -2.982 -5.783 1.00 0.00 H new ATOM 635 N TYR A 45 3.593 -5.652 -5.904 1.00 0.00 N ATOM 636 CA TYR A 45 3.970 -6.796 -6.721 1.00 0.00 C ATOM 637 C TYR A 45 3.567 -8.095 -6.042 1.00 0.00 C ATOM 638 O TYR A 45 3.286 -8.120 -4.844 1.00 0.00 O ATOM 639 CB TYR A 45 5.474 -6.796 -6.998 1.00 0.00 C ATOM 640 CG TYR A 45 5.966 -5.547 -7.697 1.00 0.00 C ATOM 641 CD1 TYR A 45 5.275 -5.016 -8.779 1.00 0.00 C ATOM 642 CD2 TYR A 45 7.122 -4.905 -7.277 1.00 0.00 C ATOM 643 CE1 TYR A 45 5.723 -3.877 -9.423 1.00 0.00 C ATOM 644 CE2 TYR A 45 7.577 -3.766 -7.915 1.00 0.00 C ATOM 645 CZ TYR A 45 6.875 -3.256 -8.986 1.00 0.00 C ATOM 646 OH TYR A 45 7.324 -2.121 -9.623 1.00 0.00 O ATOM 0 H TYR A 45 4.242 -5.444 -5.145 1.00 0.00 H new ATOM 0 HA TYR A 45 3.442 -6.717 -7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.008 -6.907 -6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.722 -7.664 -7.609 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.373 -5.501 -9.123 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.675 -5.301 -6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.175 -3.476 -10.263 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.479 -3.278 -7.576 1.00 0.00 H new ATOM 0 HH TYR A 45 8.146 -1.807 -9.192 1.00 0.00 H new ATOM 656 N VAL A 46 3.528 -9.170 -6.820 1.00 0.00 N ATOM 657 CA VAL A 46 3.149 -10.469 -6.289 1.00 0.00 C ATOM 658 C VAL A 46 4.313 -11.116 -5.548 1.00 0.00 C ATOM 659 O VAL A 46 5.416 -11.236 -6.082 1.00 0.00 O ATOM 660 CB VAL A 46 2.662 -11.420 -7.398 1.00 0.00 C ATOM 661 CG1 VAL A 46 2.408 -12.805 -6.827 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.408 -10.870 -8.066 1.00 0.00 C ATOM 0 H VAL A 46 3.753 -9.166 -7.815 1.00 0.00 H new ATOM 0 HA VAL A 46 2.327 -10.297 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 46 3.440 -11.497 -8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.064 -13.468 -7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.331 -13.198 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.646 -12.744 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.080 -11.557 -8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.618 -10.761 -7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.627 -9.898 -8.507 1.00 0.00 H new ATOM 672 N LEU A 47 4.056 -11.539 -4.317 1.00 0.00 N ATOM 673 CA LEU A 47 5.076 -12.184 -3.499 1.00 0.00 C ATOM 674 C LEU A 47 4.534 -13.467 -2.885 1.00 0.00 C ATOM 675 O LEU A 47 3.394 -13.510 -2.424 1.00 0.00 O ATOM 676 CB LEU A 47 5.533 -11.266 -2.355 1.00 0.00 C ATOM 677 CG LEU A 47 6.295 -9.998 -2.749 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.686 -10.335 -3.250 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.533 -9.199 -3.788 1.00 0.00 C ATOM 0 H LEU A 47 3.148 -11.447 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 47 5.920 -12.403 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.652 -10.970 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.166 -11.848 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 47 6.393 -9.381 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.207 -9.417 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.242 -10.847 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.611 -10.983 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.100 -8.305 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.388 -9.808 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.563 -8.909 -3.385 1.00 0.00 H new ATOM 691 N CYS A 48 5.365 -14.496 -2.840 1.00 0.00 N ATOM 692 CA CYS A 48 4.965 -15.752 -2.231 1.00 0.00 C ATOM 693 C CYS A 48 5.086 -15.612 -0.720 1.00 0.00 C ATOM 694 O CYS A 48 5.567 -14.586 -0.235 1.00 0.00 O ATOM 695 CB CYS A 48 5.832 -16.909 -2.736 1.00 0.00 C ATOM 696 SG CYS A 48 7.425 -17.061 -1.893 1.00 0.00 S ATOM 0 H CYS A 48 6.313 -14.486 -3.215 1.00 0.00 H new ATOM 0 HA CYS A 48 3.934 -15.978 -2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.280 -17.841 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.009 -16.777 -3.803 1.00 0.00 H new ATOM 0 HG CYS A 48 8.284 -17.627 -2.688 1.00 0.00 H new ATOM 702 N GLY A 49 4.652 -16.611 0.034 1.00 0.00 N ATOM 703 CA GLY A 49 4.738 -16.510 1.475 1.00 0.00 C ATOM 704 C GLY A 49 6.121 -16.107 1.948 1.00 0.00 C ATOM 705 O GLY A 49 6.270 -15.136 2.689 1.00 0.00 O ATOM 0 H GLY A 49 4.247 -17.478 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.010 -15.780 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.471 -17.469 1.920 1.00 0.00 H new ATOM 709 N ASP A 50 7.128 -16.861 1.517 1.00 0.00 N ATOM 710 CA ASP A 50 8.515 -16.599 1.902 1.00 0.00 C ATOM 711 C ASP A 50 8.957 -15.174 1.593 1.00 0.00 C ATOM 712 O ASP A 50 9.728 -14.576 2.344 1.00 0.00 O ATOM 713 CB ASP A 50 9.459 -17.588 1.221 1.00 0.00 C ATOM 714 CG ASP A 50 9.398 -18.970 1.839 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.697 -19.134 2.860 1.00 0.00 O ATOM 716 OD2 ASP A 50 10.057 -19.888 1.307 1.00 0.00 O ATOM 0 H ASP A 50 7.010 -17.663 0.898 1.00 0.00 H new ATOM 0 HA ASP A 50 8.562 -16.728 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.207 -17.656 0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.480 -17.211 1.282 1.00 0.00 H new ATOM 721 N CYS A 51 8.470 -14.640 0.482 1.00 0.00 N ATOM 722 CA CYS A 51 8.820 -13.287 0.070 1.00 0.00 C ATOM 723 C CYS A 51 7.847 -12.269 0.646 1.00 0.00 C ATOM 724 O CYS A 51 8.010 -11.063 0.460 1.00 0.00 O ATOM 725 CB CYS A 51 8.855 -13.182 -1.455 1.00 0.00 C ATOM 726 SG CYS A 51 10.477 -13.535 -2.172 1.00 0.00 S ATOM 0 H CYS A 51 7.831 -15.122 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 51 9.814 -13.066 0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.124 -13.873 -1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.549 -12.178 -1.748 1.00 0.00 H new ATOM 0 HG CYS A 51 10.459 -14.710 -2.727 1.00 0.00 H new ATOM 732 N SER A 52 6.841 -12.761 1.364 1.00 0.00 N ATOM 733 CA SER A 52 5.847 -11.904 1.987 1.00 0.00 C ATOM 734 C SER A 52 5.650 -12.315 3.443 1.00 0.00 C ATOM 735 O SER A 52 4.593 -12.076 4.028 1.00 0.00 O ATOM 736 CB SER A 52 4.519 -11.987 1.230 1.00 0.00 C ATOM 737 OG SER A 52 3.790 -13.146 1.601 1.00 0.00 O ATOM 0 H SER A 52 6.696 -13.757 1.527 1.00 0.00 H new ATOM 0 HA SER A 52 6.200 -10.873 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.923 -11.098 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.709 -12.001 0.157 1.00 0.00 H new ATOM 0 HG SER A 52 4.048 -13.894 1.022 1.00 0.00 H new ATOM 743 N ARG A 53 6.682 -12.923 4.029 1.00 0.00 N ATOM 744 CA ARG A 53 6.622 -13.351 5.424 1.00 0.00 C ATOM 745 C ARG A 53 6.900 -12.184 6.368 1.00 0.00 C ATOM 746 O ARG A 53 6.589 -12.258 7.558 1.00 0.00 O ATOM 747 CB ARG A 53 7.611 -14.493 5.707 1.00 0.00 C ATOM 748 CG ARG A 53 7.196 -15.835 5.130 1.00 0.00 C ATOM 749 CD ARG A 53 8.070 -16.961 5.656 1.00 0.00 C ATOM 750 NE ARG A 53 7.764 -18.236 5.012 1.00 0.00 N ATOM 751 CZ ARG A 53 6.661 -18.937 5.253 1.00 0.00 C ATOM 752 NH1 ARG A 53 5.761 -18.489 6.117 1.00 0.00 N ATOM 753 NH2 ARG A 53 6.456 -20.090 4.628 1.00 0.00 N ATOM 0 H ARG A 53 7.565 -13.129 3.561 1.00 0.00 H new ATOM 0 HA ARG A 53 5.611 -13.718 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.586 -14.222 5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.731 -14.596 6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.154 -16.034 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.261 -15.800 4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.119 -16.714 5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.931 -17.056 6.733 1.00 0.00 H new ATOM 0 HE ARG A 53 8.434 -18.609 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.914 -17.603 6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.916 -19.030 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.145 -20.439 3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.609 -20.627 4.814 1.00 0.00 H new ATOM 767 N HIS A 54 7.497 -11.115 5.849 1.00 0.00 N ATOM 768 CA HIS A 54 7.818 -9.956 6.677 1.00 0.00 C ATOM 769 C HIS A 54 6.601 -9.072 6.897 1.00 0.00 C ATOM 770 O HIS A 54 5.607 -9.161 6.175 1.00 0.00 O ATOM 771 CB HIS A 54 8.928 -9.124 6.036 1.00 0.00 C ATOM 772 CG HIS A 54 10.250 -9.820 5.977 1.00 0.00 C ATOM 773 ND1 HIS A 54 10.779 -10.638 5.036 1.00 0.00 N flip ATOM 774 CD2 HIS A 54 11.204 -9.707 6.964 1.00 0.00 C flip ATOM 775 CE1 HIS A 54 12.031 -10.996 5.469 1.00 0.00 C flip ATOM 776 NE2 HIS A 54 12.264 -10.422 6.635 1.00 0.00 N flip ATOM 0 H HIS A 54 7.766 -11.027 4.869 1.00 0.00 H new ATOM 0 HA HIS A 54 8.155 -10.337 7.641 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.626 -8.852 5.025 1.00 0.00 H new ATOM 0 HB3 HIS A 54 9.042 -8.196 6.596 1.00 0.00 H new ATOM 0 HD1 HIS A 54 10.331 -10.933 4.168 1.00 0.00 H new ATOM 0 HD2 HIS A 54 11.101 -9.124 7.867 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.716 -11.643 4.941 1.00 0.00 H new ATOM 785 N ARG A 55 6.700 -8.203 7.894 1.00 0.00 N ATOM 786 CA ARG A 55 5.625 -7.276 8.214 1.00 0.00 C ATOM 787 C ARG A 55 6.198 -5.905 8.570 1.00 0.00 C ATOM 788 O ARG A 55 7.190 -5.804 9.292 1.00 0.00 O ATOM 789 CB ARG A 55 4.773 -7.827 9.358 1.00 0.00 C ATOM 790 CG ARG A 55 4.126 -9.165 9.030 1.00 0.00 C ATOM 791 CD ARG A 55 3.185 -9.624 10.132 1.00 0.00 C ATOM 792 NE ARG A 55 3.862 -9.743 11.418 1.00 0.00 N ATOM 793 CZ ARG A 55 4.620 -10.780 11.756 1.00 0.00 C ATOM 794 NH1 ARG A 55 4.807 -11.777 10.900 1.00 0.00 N ATOM 795 NH2 ARG A 55 5.192 -10.821 12.950 1.00 0.00 N ATOM 0 H ARG A 55 7.518 -8.121 8.497 1.00 0.00 H new ATOM 0 HA ARG A 55 4.985 -7.161 7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.396 -7.939 10.245 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.995 -7.105 9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.575 -9.082 8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.901 -9.916 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.360 -8.917 10.221 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.752 -10.587 9.860 1.00 0.00 H new ATOM 0 HE ARG A 55 3.747 -8.989 12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.368 -11.748 9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.390 -12.572 11.162 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.050 -10.056 13.610 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.774 -11.617 13.210 1.00 0.00 H new ATOM 809 N ALA A 56 5.576 -4.857 8.052 1.00 0.00 N ATOM 810 CA ALA A 56 6.041 -3.497 8.314 1.00 0.00 C ATOM 811 C ALA A 56 4.947 -2.468 8.089 1.00 0.00 C ATOM 812 O ALA A 56 4.030 -2.685 7.297 1.00 0.00 O ATOM 813 CB ALA A 56 7.243 -3.182 7.439 1.00 0.00 C ATOM 0 H ALA A 56 4.754 -4.917 7.452 1.00 0.00 H new ATOM 0 HA ALA A 56 6.329 -3.443 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.583 -2.166 7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.047 -3.885 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.962 -3.269 6.389 1.00 0.00 H new ATOM 819 N ALA A 57 5.066 -1.327 8.763 1.00 0.00 N ATOM 820 CA ALA A 57 4.109 -0.244 8.612 1.00 0.00 C ATOM 821 C ALA A 57 4.579 0.686 7.504 1.00 0.00 C ATOM 822 O ALA A 57 5.782 0.828 7.278 1.00 0.00 O ATOM 823 CB ALA A 57 3.952 0.515 9.922 1.00 0.00 C ATOM 0 H ALA A 57 5.821 -1.132 9.421 1.00 0.00 H new ATOM 0 HA ALA A 57 3.135 -0.655 8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.232 1.322 9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.597 -0.165 10.696 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.914 0.932 10.218 1.00 0.00 H new ATOM 829 N ILE A 58 3.642 1.307 6.801 1.00 0.00 N ATOM 830 CA ILE A 58 3.980 2.202 5.709 1.00 0.00 C ATOM 831 C ILE A 58 3.313 3.562 5.893 1.00 0.00 C ATOM 832 O ILE A 58 2.278 3.848 5.290 1.00 0.00 O ATOM 833 CB ILE A 58 3.551 1.591 4.369 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.733 0.071 4.406 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.352 2.198 3.233 1.00 0.00 C ATOM 836 CD1 ILE A 58 3.152 -0.645 3.207 1.00 0.00 C ATOM 0 H ILE A 58 2.641 1.206 6.970 1.00 0.00 H new ATOM 0 HA ILE A 58 5.061 2.343 5.710 1.00 0.00 H new ATOM 0 HB ILE A 58 2.497 1.812 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.797 -0.156 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.267 -0.319 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.037 1.755 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.183 3.274 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.413 2.001 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.321 -1.717 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.081 -0.450 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.635 -0.285 2.299 1.00 0.00 H new ATOM 848 N PRO A 59 3.898 4.410 6.750 1.00 0.00 N ATOM 849 CA PRO A 59 3.364 5.744 7.048 1.00 0.00 C ATOM 850 C PRO A 59 3.356 6.686 5.849 1.00 0.00 C ATOM 851 O PRO A 59 2.742 7.752 5.903 1.00 0.00 O ATOM 852 CB PRO A 59 4.286 6.273 8.149 1.00 0.00 C ATOM 853 CG PRO A 59 5.541 5.481 8.014 1.00 0.00 C ATOM 854 CD PRO A 59 5.123 4.126 7.514 1.00 0.00 C ATOM 0 HA PRO A 59 2.316 5.685 7.342 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.477 7.339 8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.840 6.141 9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.231 5.958 7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.057 5.402 8.971 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.892 3.674 6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.934 3.435 8.335 1.00 0.00 H new ATOM 862 N MET A 60 4.000 6.293 4.755 1.00 0.00 N ATOM 863 CA MET A 60 4.005 7.124 3.555 1.00 0.00 C ATOM 864 C MET A 60 2.787 6.788 2.709 1.00 0.00 C ATOM 865 O MET A 60 2.167 7.659 2.102 1.00 0.00 O ATOM 866 CB MET A 60 5.285 6.892 2.750 1.00 0.00 C ATOM 867 CG MET A 60 6.554 7.224 3.516 1.00 0.00 C ATOM 868 SD MET A 60 6.560 8.910 4.157 1.00 0.00 S ATOM 869 CE MET A 60 6.487 9.849 2.634 1.00 0.00 C ATOM 0 H MET A 60 4.518 5.418 4.673 1.00 0.00 H new ATOM 0 HA MET A 60 3.969 8.174 3.845 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.323 5.849 2.436 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.249 7.497 1.844 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.667 6.524 4.344 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.415 7.085 2.862 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.732 10.892 2.837 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.203 9.441 1.920 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.482 9.787 2.216 1.00 0.00 H new ATOM 879 N ARG A 61 2.456 5.503 2.690 1.00 0.00 N ATOM 880 CA ARG A 61 1.312 5.008 1.935 1.00 0.00 C ATOM 881 C ARG A 61 0.031 5.160 2.746 1.00 0.00 C ATOM 882 O ARG A 61 -1.047 4.745 2.320 1.00 0.00 O ATOM 883 CB ARG A 61 1.528 3.539 1.575 1.00 0.00 C ATOM 884 CG ARG A 61 2.845 3.282 0.864 1.00 0.00 C ATOM 885 CD ARG A 61 2.894 3.974 -0.484 1.00 0.00 C ATOM 886 NE ARG A 61 1.882 3.455 -1.399 1.00 0.00 N ATOM 887 CZ ARG A 61 1.966 3.555 -2.720 1.00 0.00 C ATOM 888 NH1 ARG A 61 3.010 4.151 -3.279 1.00 0.00 N ATOM 889 NH2 ARG A 61 1.003 3.059 -3.486 1.00 0.00 N ATOM 0 H ARG A 61 2.969 4.779 3.194 1.00 0.00 H new ATOM 0 HA ARG A 61 1.216 5.594 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.491 2.940 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.708 3.204 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.669 3.634 1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.983 2.209 0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.745 5.045 -0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.883 3.843 -0.924 1.00 0.00 H new ATOM 0 HE ARG A 61 1.066 2.990 -1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.752 4.535 -2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.071 4.226 -4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.198 2.601 -3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.068 3.136 -4.501 1.00 0.00 H new ATOM 903 N GLY A 62 0.167 5.761 3.922 1.00 0.00 N ATOM 904 CA GLY A 62 -0.973 5.968 4.789 1.00 0.00 C ATOM 905 C GLY A 62 -1.160 4.832 5.770 1.00 0.00 C ATOM 906 O GLY A 62 -2.151 4.791 6.500 1.00 0.00 O ATOM 0 H GLY A 62 1.052 6.110 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.845 6.901 5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.873 6.074 4.183 1.00 0.00 H new ATOM 910 N ILE A 63 -0.207 3.906 5.793 1.00 0.00 N ATOM 911 CA ILE A 63 -0.268 2.767 6.693 1.00 0.00 C ATOM 912 C ILE A 63 0.530 3.050 7.962 1.00 0.00 C ATOM 913 O ILE A 63 1.757 2.950 7.970 1.00 0.00 O ATOM 914 CB ILE A 63 0.285 1.506 5.998 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.545 1.190 4.750 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.302 0.321 6.951 1.00 0.00 C ATOM 917 CD1 ILE A 63 0.073 0.135 3.858 1.00 0.00 C ATOM 0 H ILE A 63 0.619 3.925 5.195 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.310 2.596 6.962 1.00 0.00 H new ATOM 0 HB ILE A 63 1.314 1.700 5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.536 0.857 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.681 2.105 4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.696 -0.555 6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.934 0.553 7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.712 0.115 7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.571 -0.035 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.052 0.473 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.184 -0.794 4.417 1.00 0.00 H new ATOM 929 N THR A 64 -0.174 3.409 9.030 1.00 0.00 N ATOM 930 CA THR A 64 0.473 3.714 10.302 1.00 0.00 C ATOM 931 C THR A 64 0.663 2.460 11.142 1.00 0.00 C ATOM 932 O THR A 64 1.494 2.432 12.049 1.00 0.00 O ATOM 933 CB THR A 64 -0.332 4.757 11.075 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.653 4.303 11.310 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.415 6.089 10.360 1.00 0.00 C ATOM 0 H THR A 64 -1.190 3.496 9.041 1.00 0.00 H new ATOM 0 HA THR A 64 1.460 4.123 10.084 1.00 0.00 H new ATOM 0 HB THR A 64 0.201 4.900 12.015 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.150 4.986 11.808 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.999 6.788 10.959 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.589 6.487 10.215 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.895 5.952 9.391 1.00 0.00 H new ATOM 943 N GLU A 65 -0.090 1.414 10.823 1.00 0.00 N ATOM 944 CA GLU A 65 0.022 0.150 11.534 1.00 0.00 C ATOM 945 C GLU A 65 0.798 -0.836 10.677 1.00 0.00 C ATOM 946 O GLU A 65 0.608 -0.888 9.463 1.00 0.00 O ATOM 947 CB GLU A 65 -1.365 -0.408 11.859 1.00 0.00 C ATOM 948 CG GLU A 65 -2.209 0.524 12.715 1.00 0.00 C ATOM 949 CD GLU A 65 -3.138 -0.223 13.651 1.00 0.00 C ATOM 950 OE1 GLU A 65 -4.146 -0.779 13.168 1.00 0.00 O ATOM 951 OE2 GLU A 65 -2.856 -0.254 14.868 1.00 0.00 O ATOM 0 H GLU A 65 -0.784 1.418 10.076 1.00 0.00 H new ATOM 0 HA GLU A 65 0.551 0.312 12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.894 -0.611 10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.252 -1.361 12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.552 1.168 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.798 1.173 12.067 1.00 0.00 H new ATOM 958 N PRO A 66 1.702 -1.618 11.277 1.00 0.00 N ATOM 959 CA PRO A 66 2.509 -2.575 10.523 1.00 0.00 C ATOM 960 C PRO A 66 1.652 -3.498 9.661 1.00 0.00 C ATOM 961 O PRO A 66 0.751 -4.175 10.156 1.00 0.00 O ATOM 962 CB PRO A 66 3.252 -3.357 11.608 1.00 0.00 C ATOM 963 CG PRO A 66 3.287 -2.440 12.784 1.00 0.00 C ATOM 964 CD PRO A 66 2.027 -1.617 12.712 1.00 0.00 C ATOM 0 HA PRO A 66 3.179 -2.083 9.818 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.737 -4.287 11.847 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.258 -3.624 11.284 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.331 -3.004 13.716 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.171 -1.803 12.755 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.226 -2.056 13.306 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.185 -0.606 13.088 1.00 0.00 H new ATOM 972 N GLU A 67 1.951 -3.512 8.366 1.00 0.00 N ATOM 973 CA GLU A 67 1.230 -4.340 7.408 1.00 0.00 C ATOM 974 C GLU A 67 2.199 -5.228 6.631 1.00 0.00 C ATOM 975 O GLU A 67 3.413 -5.027 6.681 1.00 0.00 O ATOM 976 CB GLU A 67 0.429 -3.462 6.443 1.00 0.00 C ATOM 977 CG GLU A 67 -0.625 -2.607 7.128 1.00 0.00 C ATOM 978 CD GLU A 67 -1.489 -1.846 6.143 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.211 -1.923 4.928 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.444 -1.173 6.586 1.00 0.00 O ATOM 0 H GLU A 67 2.697 -2.952 7.953 1.00 0.00 H new ATOM 0 HA GLU A 67 0.539 -4.979 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.116 -2.812 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.057 -4.099 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.259 -3.244 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.135 -1.900 7.798 1.00 0.00 H new ATOM 987 N ARG A 68 1.661 -6.218 5.928 1.00 0.00 N ATOM 988 CA ARG A 68 2.479 -7.147 5.157 1.00 0.00 C ATOM 989 C ARG A 68 3.106 -6.482 3.936 1.00 0.00 C ATOM 990 O ARG A 68 2.469 -5.703 3.225 1.00 0.00 O ATOM 991 CB ARG A 68 1.645 -8.349 4.732 1.00 0.00 C ATOM 992 CG ARG A 68 0.501 -7.997 3.797 1.00 0.00 C ATOM 993 CD ARG A 68 -0.433 -9.178 3.602 1.00 0.00 C ATOM 994 NE ARG A 68 -1.474 -8.898 2.618 1.00 0.00 N ATOM 995 CZ ARG A 68 -2.110 -9.840 1.931 1.00 0.00 C ATOM 996 NH1 ARG A 68 -1.808 -11.118 2.118 1.00 0.00 N ATOM 997 NH2 ARG A 68 -3.047 -9.506 1.055 1.00 0.00 N ATOM 0 H ARG A 68 0.658 -6.398 5.876 1.00 0.00 H new ATOM 0 HA ARG A 68 3.294 -7.479 5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.293 -9.075 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.240 -8.832 5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.056 -7.152 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.900 -7.683 2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.143 -10.046 3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.895 -9.435 4.555 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.727 -7.925 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.086 -11.378 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.297 -11.840 1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.281 -8.524 0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.534 -10.231 0.528 1.00 0.00 H new ATOM 1011 N VAL A 69 4.367 -6.826 3.710 1.00 0.00 N ATOM 1012 CA VAL A 69 5.142 -6.316 2.584 1.00 0.00 C ATOM 1013 C VAL A 69 6.123 -7.374 2.106 1.00 0.00 C ATOM 1014 O VAL A 69 6.214 -8.456 2.687 1.00 0.00 O ATOM 1015 CB VAL A 69 5.934 -5.057 2.967 1.00 0.00 C ATOM 1016 CG1 VAL A 69 4.986 -3.915 3.294 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.872 -5.354 4.130 1.00 0.00 C ATOM 0 H VAL A 69 4.885 -7.471 4.306 1.00 0.00 H new ATOM 0 HA VAL A 69 4.437 -6.063 1.793 1.00 0.00 H new ATOM 0 HB VAL A 69 6.544 -4.750 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.562 -3.030 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.368 -3.695 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.347 -4.200 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.426 -4.452 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.291 -5.683 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.571 -6.139 3.842 1.00 0.00 H new ATOM 1027 N CYS A 70 6.882 -7.050 1.067 1.00 0.00 N ATOM 1028 CA CYS A 70 7.883 -7.961 0.542 1.00 0.00 C ATOM 1029 C CYS A 70 9.225 -7.655 1.189 1.00 0.00 C ATOM 1030 O CYS A 70 9.281 -6.968 2.209 1.00 0.00 O ATOM 1031 CB CYS A 70 7.973 -7.859 -0.983 1.00 0.00 C ATOM 1032 SG CYS A 70 9.068 -6.558 -1.586 1.00 0.00 S ATOM 0 H CYS A 70 6.821 -6.160 0.572 1.00 0.00 H new ATOM 0 HA CYS A 70 7.595 -8.985 0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.315 -8.816 -1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.973 -7.688 -1.382 1.00 0.00 H new ATOM 0 HG CYS A 70 9.071 -6.561 -2.886 1.00 0.00 H new ATOM 1038 N ASP A 71 10.301 -8.173 0.623 1.00 0.00 N ATOM 1039 CA ASP A 71 11.626 -7.943 1.196 1.00 0.00 C ATOM 1040 C ASP A 71 12.212 -6.585 0.800 1.00 0.00 C ATOM 1041 O ASP A 71 12.793 -5.895 1.637 1.00 0.00 O ATOM 1042 CB ASP A 71 12.582 -9.070 0.812 1.00 0.00 C ATOM 1043 CG ASP A 71 12.131 -10.413 1.352 1.00 0.00 C ATOM 1044 OD1 ASP A 71 11.303 -10.428 2.287 1.00 0.00 O ATOM 1045 OD2 ASP A 71 12.601 -11.449 0.839 1.00 0.00 O ATOM 0 H ASP A 71 10.291 -8.748 -0.220 1.00 0.00 H new ATOM 0 HA ASP A 71 11.503 -7.933 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.659 -9.124 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.578 -8.844 1.191 1.00 0.00 H new ATOM 1050 N ALA A 72 12.073 -6.202 -0.464 1.00 0.00 N ATOM 1051 CA ALA A 72 12.613 -4.923 -0.927 1.00 0.00 C ATOM 1052 C ALA A 72 11.878 -3.737 -0.303 1.00 0.00 C ATOM 1053 O ALA A 72 12.503 -2.780 0.152 1.00 0.00 O ATOM 1054 CB ALA A 72 12.551 -4.842 -2.443 1.00 0.00 C ATOM 0 H ALA A 72 11.597 -6.749 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 72 13.654 -4.871 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.956 -3.885 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.138 -5.653 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.515 -4.930 -2.770 1.00 0.00 H new ATOM 1060 N CYS A 73 10.555 -3.813 -0.277 1.00 0.00 N ATOM 1061 CA CYS A 73 9.738 -2.752 0.298 1.00 0.00 C ATOM 1062 C CYS A 73 10.022 -2.612 1.785 1.00 0.00 C ATOM 1063 O CYS A 73 10.140 -1.502 2.301 1.00 0.00 O ATOM 1064 CB CYS A 73 8.257 -3.049 0.071 1.00 0.00 C ATOM 1065 SG CYS A 73 7.862 -3.481 -1.636 1.00 0.00 S ATOM 0 H CYS A 73 10.023 -4.600 -0.648 1.00 0.00 H new ATOM 0 HA CYS A 73 9.989 -1.812 -0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.955 -3.868 0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.671 -2.177 0.361 1.00 0.00 H new ATOM 0 HG CYS A 73 8.348 -4.655 -1.910 1.00 0.00 H new ATOM 1071 N TYR A 74 10.158 -3.738 2.466 1.00 0.00 N ATOM 1072 CA TYR A 74 10.459 -3.714 3.886 1.00 0.00 C ATOM 1073 C TYR A 74 11.732 -2.912 4.114 1.00 0.00 C ATOM 1074 O TYR A 74 11.835 -2.143 5.067 1.00 0.00 O ATOM 1075 CB TYR A 74 10.617 -5.136 4.429 1.00 0.00 C ATOM 1076 CG TYR A 74 10.882 -5.194 5.917 1.00 0.00 C ATOM 1077 CD1 TYR A 74 9.836 -5.185 6.831 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.179 -5.262 6.406 1.00 0.00 C ATOM 1079 CE1 TYR A 74 10.077 -5.240 8.192 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.429 -5.318 7.764 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.374 -5.306 8.652 1.00 0.00 C ATOM 1082 OH TYR A 74 11.618 -5.362 10.005 1.00 0.00 O ATOM 0 H TYR A 74 10.066 -4.670 2.063 1.00 0.00 H new ATOM 0 HA TYR A 74 9.634 -3.242 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.712 -5.702 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.436 -5.627 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.818 -5.134 6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 74 13.007 -5.271 5.713 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.253 -5.231 8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.445 -5.371 8.128 1.00 0.00 H new ATOM 0 HH TYR A 74 12.584 -5.406 10.162 1.00 0.00 H new ATOM 1092 N LEU A 75 12.699 -3.098 3.217 1.00 0.00 N ATOM 1093 CA LEU A 75 13.976 -2.398 3.297 1.00 0.00 C ATOM 1094 C LEU A 75 13.847 -0.922 2.935 1.00 0.00 C ATOM 1095 O LEU A 75 14.307 -0.051 3.672 1.00 0.00 O ATOM 1096 CB LEU A 75 14.999 -3.059 2.381 1.00 0.00 C ATOM 1097 CG LEU A 75 15.815 -4.180 3.024 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.428 -5.074 1.957 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.896 -3.602 3.923 1.00 0.00 C ATOM 0 H LEU A 75 12.619 -3.732 2.422 1.00 0.00 H new ATOM 0 HA LEU A 75 14.311 -2.461 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.479 -3.462 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.685 -2.294 2.016 1.00 0.00 H new ATOM 0 HG LEU A 75 15.146 -4.786 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 75 17.005 -5.866 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.635 -5.516 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.083 -4.482 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.468 -4.414 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.562 -2.973 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.434 -3.004 4.709 1.00 0.00 H new ATOM 1111 N ALA A 76 13.244 -0.641 1.782 1.00 0.00 N ATOM 1112 CA ALA A 76 13.093 0.738 1.327 1.00 0.00 C ATOM 1113 C ALA A 76 12.481 1.593 2.427 1.00 0.00 C ATOM 1114 O ALA A 76 13.006 2.656 2.758 1.00 0.00 O ATOM 1115 CB ALA A 76 12.259 0.798 0.054 1.00 0.00 C ATOM 0 H ALA A 76 12.856 -1.342 1.152 1.00 0.00 H new ATOM 0 HA ALA A 76 14.080 1.138 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.159 1.835 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.750 0.221 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.270 0.381 0.247 1.00 0.00 H new ATOM 1121 N LEU A 77 11.401 1.111 3.023 1.00 0.00 N ATOM 1122 CA LEU A 77 10.772 1.832 4.119 1.00 0.00 C ATOM 1123 C LEU A 77 11.738 1.855 5.293 1.00 0.00 C ATOM 1124 O LEU A 77 11.917 2.870 5.965 1.00 0.00 O ATOM 1125 CB LEU A 77 9.460 1.161 4.517 1.00 0.00 C ATOM 1126 CG LEU A 77 8.382 1.164 3.434 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.276 0.185 3.790 1.00 0.00 C ATOM 1128 CD2 LEU A 77 7.816 2.565 3.243 1.00 0.00 C ATOM 0 H LEU A 77 10.946 0.234 2.770 1.00 0.00 H new ATOM 0 HA LEU A 77 10.541 2.851 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.668 0.129 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.067 1.661 5.402 1.00 0.00 H new ATOM 0 HG LEU A 77 8.835 0.849 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.515 0.197 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.692 -0.819 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.827 0.473 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.050 2.545 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.376 2.911 4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.616 3.243 2.946 1.00 0.00 H new