USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 29 HIS : no HE2:sc= -2.45 K(o=-4.7,f=-13!) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.8 K(o=-4.7,f=-8.4!) USER MOD Set 1.3: A 99 SER OG : rot -170:sc= -0.443 USER MOD Single : A 31 SER OG : rot 180:sc= -0.426 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -1.43 F(o=-2.8!,f=-1.4) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -6:sc= 0.407 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00322) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= -0.037 (180deg=-0.347) USER MOD Single : A 55 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 179:sc= -1.56 (180deg=-1.66) USER MOD Single : A 61 MET CE :methyl 174:sc= 0 (180deg=-0.0098) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 166:sc= -6.72! (180deg=-7.28!) USER MOD Single : A 71 THR OG1 : rot -87:sc= 0.866 USER MOD Single : A 76 MET CE :methyl 152:sc= -4.55! (180deg=-6.69!) USER MOD Single : A 78 MET CE :methyl 146:sc= -4.14! (180deg=-7.12!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 82 CYS SG : rot -17:sc= 0.374 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0268) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 53:sc= -0.0289 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.874 9.069 -9.021 1.00 0.00 N ATOM 356 CA GLY A 25 -7.498 8.641 -8.845 1.00 0.00 C ATOM 357 C GLY A 25 -7.390 7.351 -8.057 1.00 0.00 C ATOM 358 O GLY A 25 -7.886 7.259 -6.934 1.00 0.00 O ATOM 0 HA2 GLY A 25 -7.035 8.506 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.940 9.424 -8.333 1.00 0.00 H new ATOM 362 N ARG A 26 -6.741 6.352 -8.646 1.00 0.00 N ATOM 363 CA ARG A 26 -6.572 5.060 -7.992 1.00 0.00 C ATOM 364 C ARG A 26 -5.140 4.888 -7.491 1.00 0.00 C ATOM 365 O ARG A 26 -4.224 4.635 -8.273 1.00 0.00 O ATOM 366 CB ARG A 26 -6.927 3.926 -8.956 1.00 0.00 C ATOM 367 CG ARG A 26 -6.253 4.047 -10.313 1.00 0.00 C ATOM 368 CD ARG A 26 -7.243 4.454 -11.393 1.00 0.00 C ATOM 369 NE ARG A 26 -7.204 5.890 -11.658 1.00 0.00 N ATOM 370 CZ ARG A 26 -6.233 6.485 -12.340 1.00 0.00 C ATOM 371 NH1 ARG A 26 -5.224 5.772 -12.823 1.00 0.00 N ATOM 372 NH2 ARG A 26 -6.268 7.797 -12.540 1.00 0.00 N ATOM 0 H ARG A 26 -6.324 6.413 -9.575 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.245 5.023 -7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.646 2.975 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.008 3.905 -9.097 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.451 4.783 -10.258 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.794 3.095 -10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.022 3.910 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.250 4.169 -11.088 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.965 6.467 -11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.193 4.764 -12.671 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.479 6.232 -13.347 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.042 8.349 -12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.521 8.253 -13.064 1.00 0.00 H new ATOM 386 N VAL A 27 -4.957 5.026 -6.182 1.00 0.00 N ATOM 387 CA VAL A 27 -3.638 4.884 -5.576 1.00 0.00 C ATOM 388 C VAL A 27 -3.696 4.008 -4.330 1.00 0.00 C ATOM 389 O VAL A 27 -4.225 4.417 -3.296 1.00 0.00 O ATOM 390 CB VAL A 27 -3.044 6.255 -5.200 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.739 6.080 -4.436 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.833 7.104 -6.445 1.00 0.00 C ATOM 0 H VAL A 27 -5.705 5.236 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.997 4.409 -6.319 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.751 6.772 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.334 7.059 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.925 5.513 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.023 5.543 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.413 8.069 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.146 6.594 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.788 7.258 -6.947 1.00 0.00 H new ATOM 402 N ILE A 28 -3.149 2.802 -4.436 1.00 0.00 N ATOM 403 CA ILE A 28 -3.138 1.868 -3.317 1.00 0.00 C ATOM 404 C ILE A 28 -2.060 2.238 -2.303 1.00 0.00 C ATOM 405 O ILE A 28 -0.868 2.216 -2.612 1.00 0.00 O ATOM 406 CB ILE A 28 -2.904 0.422 -3.792 1.00 0.00 C ATOM 407 CG1 ILE A 28 -4.069 -0.044 -4.668 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.728 -0.506 -2.600 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.261 -0.536 -3.877 1.00 0.00 C ATOM 0 H ILE A 28 -2.708 2.449 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.118 1.932 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.991 0.394 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.383 0.780 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.723 -0.843 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.564 -1.524 -2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.870 -0.183 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.625 -0.477 -1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.048 -0.850 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.962 -1.381 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.633 0.268 -3.241 1.00 0.00 H new ATOM 421 N HIS A 29 -2.486 2.577 -1.091 1.00 0.00 N ATOM 422 CA HIS A 29 -1.557 2.949 -0.029 1.00 0.00 C ATOM 423 C HIS A 29 -1.225 1.746 0.849 1.00 0.00 C ATOM 424 O HIS A 29 -2.112 1.145 1.456 1.00 0.00 O ATOM 425 CB HIS A 29 -2.148 4.072 0.824 1.00 0.00 C ATOM 426 CG HIS A 29 -1.343 4.380 2.049 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.895 4.898 3.201 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.020 4.238 2.297 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.947 5.063 4.106 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.200 4.669 3.583 1.00 0.00 N ATOM 0 H HIS A 29 -3.469 2.602 -0.819 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.636 3.302 -0.493 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.230 4.974 0.217 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.159 3.796 1.123 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.882 5.119 3.334 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.723 3.857 1.612 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.086 5.453 5.103 1.00 0.00 H new ATOM 438 N LEU A 30 0.056 1.401 0.912 1.00 0.00 N ATOM 439 CA LEU A 30 0.506 0.269 1.715 1.00 0.00 C ATOM 440 C LEU A 30 1.258 0.746 2.953 1.00 0.00 C ATOM 441 O LEU A 30 2.341 1.321 2.850 1.00 0.00 O ATOM 442 CB LEU A 30 1.400 -0.649 0.882 1.00 0.00 C ATOM 443 CG LEU A 30 0.791 -1.184 -0.415 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.884 -1.637 -1.370 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.169 -2.327 -0.121 1.00 0.00 C ATOM 0 H LEU A 30 0.802 1.889 0.416 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.373 -0.288 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.313 -0.107 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.691 -1.498 1.500 1.00 0.00 H new ATOM 0 HG LEU A 30 0.231 -0.379 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.432 -2.015 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.534 -0.794 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.471 -2.428 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.593 -2.695 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.368 -3.134 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.971 -1.971 0.526 1.00 0.00 H new ATOM 457 N SER A 31 0.677 0.501 4.124 1.00 0.00 N ATOM 458 CA SER A 31 1.293 0.907 5.382 1.00 0.00 C ATOM 459 C SER A 31 1.781 -0.309 6.163 1.00 0.00 C ATOM 460 O SER A 31 1.374 -1.439 5.896 1.00 0.00 O ATOM 461 CB SER A 31 0.297 1.704 6.227 1.00 0.00 C ATOM 462 OG SER A 31 -0.869 0.945 6.492 1.00 0.00 O ATOM 0 H SER A 31 -0.219 0.024 4.227 1.00 0.00 H new ATOM 0 HA SER A 31 2.151 1.539 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.765 1.997 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.026 2.622 5.706 1.00 0.00 H new ATOM 0 HG SER A 31 -1.489 1.476 7.035 1.00 0.00 H new ATOM 468 N ASN A 32 2.659 -0.067 7.132 1.00 0.00 N ATOM 469 CA ASN A 32 3.205 -1.142 7.954 1.00 0.00 C ATOM 470 C ASN A 32 3.956 -2.155 7.095 1.00 0.00 C ATOM 471 O ASN A 32 3.794 -3.365 7.259 1.00 0.00 O ATOM 472 CB ASN A 32 2.086 -1.841 8.726 1.00 0.00 C ATOM 473 CG ASN A 32 2.591 -2.531 9.978 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.184 -1.900 10.852 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.356 -3.835 10.071 1.00 0.00 N ATOM 0 H ASN A 32 3.007 0.863 7.367 1.00 0.00 H new ATOM 0 HA ASN A 32 3.906 -0.703 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.325 -1.110 8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.605 -2.575 8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.671 -4.353 10.891 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.860 -4.319 9.322 1.00 0.00 H new ATOM 482 N LEU A 33 4.778 -1.654 6.180 1.00 0.00 N ATOM 483 CA LEU A 33 5.555 -2.516 5.295 1.00 0.00 C ATOM 484 C LEU A 33 6.811 -3.024 5.996 1.00 0.00 C ATOM 485 O LEU A 33 7.356 -2.380 6.892 1.00 0.00 O ATOM 486 CB LEU A 33 5.938 -1.759 4.022 1.00 0.00 C ATOM 487 CG LEU A 33 4.836 -1.610 2.972 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.324 -0.770 1.803 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.370 -2.977 2.491 1.00 0.00 C ATOM 0 H LEU A 33 4.924 -0.656 6.031 1.00 0.00 H new ATOM 0 HA LEU A 33 4.938 -3.374 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.280 -0.763 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.785 -2.268 3.561 1.00 0.00 H new ATOM 0 HG LEU A 33 3.989 -1.100 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.527 -0.675 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.609 0.220 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.187 -1.252 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.586 -2.852 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.210 -3.513 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.980 -3.546 3.335 1.00 0.00 H new ATOM 501 N PRO A 34 7.284 -4.207 5.576 1.00 0.00 N ATOM 502 CA PRO A 34 8.483 -4.827 6.148 1.00 0.00 C ATOM 503 C PRO A 34 9.758 -4.076 5.778 1.00 0.00 C ATOM 504 O PRO A 34 9.704 -2.963 5.254 1.00 0.00 O ATOM 505 CB PRO A 34 8.488 -6.227 5.527 1.00 0.00 C ATOM 506 CG PRO A 34 7.731 -6.078 4.253 1.00 0.00 C ATOM 507 CD PRO A 34 6.686 -5.029 4.511 1.00 0.00 C ATOM 0 HA PRO A 34 8.461 -4.828 7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.505 -6.576 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.014 -6.954 6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.392 -5.778 3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.272 -7.022 3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.478 -4.440 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.742 -5.472 4.827 1.00 0.00 H new ATOM 515 N HIS A 35 10.903 -4.691 6.053 1.00 0.00 N ATOM 516 CA HIS A 35 12.192 -4.080 5.749 1.00 0.00 C ATOM 517 C HIS A 35 13.320 -5.099 5.876 1.00 0.00 C ATOM 518 O HIS A 35 14.274 -4.893 6.627 1.00 0.00 O ATOM 519 CB HIS A 35 12.450 -2.896 6.680 1.00 0.00 C ATOM 520 CG HIS A 35 12.508 -3.273 8.128 1.00 0.00 C ATOM 521 ND1 HIS A 35 12.652 -4.480 8.724 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 12.409 -2.352 9.150 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 12.639 -4.269 10.080 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 12.492 -2.976 10.311 1.00 0.00 N flip ATOM 0 H HIS A 35 10.965 -5.612 6.486 1.00 0.00 H new ATOM 0 HA HIS A 35 12.164 -3.723 4.719 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.390 -2.422 6.399 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.664 -2.155 6.537 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.283 -1.287 9.021 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.734 -5.035 10.835 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.450 -2.535 11.230 1.00 0.00 H new ATOM 532 N SER A 36 13.204 -6.199 5.140 1.00 0.00 N ATOM 533 CA SER A 36 14.212 -7.252 5.174 1.00 0.00 C ATOM 534 C SER A 36 15.055 -7.239 3.902 1.00 0.00 C ATOM 535 O SER A 36 15.597 -8.264 3.493 1.00 0.00 O ATOM 536 CB SER A 36 13.546 -8.619 5.344 1.00 0.00 C ATOM 537 OG SER A 36 13.109 -8.810 6.678 1.00 0.00 O ATOM 0 H SER A 36 12.422 -6.385 4.512 1.00 0.00 H new ATOM 0 HA SER A 36 14.867 -7.066 6.025 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.698 -8.701 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.249 -9.406 5.072 1.00 0.00 H new ATOM 0 HG SER A 36 12.685 -9.690 6.761 1.00 0.00 H new ATOM 543 N GLY A 37 15.160 -6.068 3.281 1.00 0.00 N ATOM 544 CA GLY A 37 15.938 -5.942 2.062 1.00 0.00 C ATOM 545 C GLY A 37 15.261 -6.593 0.873 1.00 0.00 C ATOM 546 O GLY A 37 15.913 -7.255 0.065 1.00 0.00 O ATOM 0 H GLY A 37 14.720 -5.205 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.104 -4.886 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.918 -6.395 2.211 1.00 0.00 H new ATOM 550 N TYR A 38 13.950 -6.406 0.765 1.00 0.00 N ATOM 551 CA TYR A 38 13.184 -6.984 -0.333 1.00 0.00 C ATOM 552 C TYR A 38 13.146 -6.037 -1.529 1.00 0.00 C ATOM 553 O TYR A 38 13.499 -4.863 -1.417 1.00 0.00 O ATOM 554 CB TYR A 38 11.759 -7.303 0.124 1.00 0.00 C ATOM 555 CG TYR A 38 11.030 -6.114 0.706 1.00 0.00 C ATOM 556 CD1 TYR A 38 11.175 -5.773 2.046 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.196 -5.331 -0.082 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.509 -4.687 2.582 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.528 -4.242 0.445 1.00 0.00 C ATOM 560 CZ TYR A 38 9.687 -3.926 1.779 1.00 0.00 C ATOM 561 OH TYR A 38 9.024 -2.843 2.309 1.00 0.00 O ATOM 0 H TYR A 38 13.396 -5.859 1.424 1.00 0.00 H new ATOM 0 HA TYR A 38 13.676 -7.907 -0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.192 -7.687 -0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.795 -8.097 0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.819 -6.366 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.067 -5.578 -1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.632 -4.436 3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.886 -3.642 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 38 9.170 -2.812 3.278 1.00 0.00 H new ATOM 571 N SER A 39 12.716 -6.557 -2.674 1.00 0.00 N ATOM 572 CA SER A 39 12.634 -5.761 -3.892 1.00 0.00 C ATOM 573 C SER A 39 11.263 -5.104 -4.021 1.00 0.00 C ATOM 574 O SER A 39 10.323 -5.458 -3.309 1.00 0.00 O ATOM 575 CB SER A 39 12.911 -6.635 -5.118 1.00 0.00 C ATOM 576 OG SER A 39 11.763 -7.381 -5.482 1.00 0.00 O ATOM 0 H SER A 39 12.419 -7.527 -2.783 1.00 0.00 H new ATOM 0 HA SER A 39 13.389 -4.977 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.221 -6.007 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.737 -7.313 -4.906 1.00 0.00 H new ATOM 0 HG SER A 39 11.965 -7.930 -6.268 1.00 0.00 H new ATOM 582 N ASP A 40 11.156 -4.147 -4.935 1.00 0.00 N ATOM 583 CA ASP A 40 9.900 -3.440 -5.160 1.00 0.00 C ATOM 584 C ASP A 40 8.805 -4.406 -5.600 1.00 0.00 C ATOM 585 O ASP A 40 7.649 -4.274 -5.198 1.00 0.00 O ATOM 586 CB ASP A 40 10.087 -2.346 -6.214 1.00 0.00 C ATOM 587 CG ASP A 40 11.008 -2.777 -7.338 1.00 0.00 C ATOM 588 OD1 ASP A 40 12.239 -2.639 -7.184 1.00 0.00 O ATOM 589 OD2 ASP A 40 10.497 -3.254 -8.374 1.00 0.00 O ATOM 0 H ASP A 40 11.924 -3.842 -5.533 1.00 0.00 H new ATOM 0 HA ASP A 40 9.597 -2.979 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.116 -2.074 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.492 -1.453 -5.738 1.00 0.00 H new ATOM 594 N SER A 41 9.176 -5.375 -6.430 1.00 0.00 N ATOM 595 CA SER A 41 8.224 -6.361 -6.930 1.00 0.00 C ATOM 596 C SER A 41 7.436 -6.984 -5.781 1.00 0.00 C ATOM 597 O SER A 41 6.214 -7.113 -5.851 1.00 0.00 O ATOM 598 CB SER A 41 8.953 -7.453 -7.715 1.00 0.00 C ATOM 599 OG SER A 41 8.897 -7.202 -9.108 1.00 0.00 O ATOM 0 H SER A 41 10.129 -5.499 -6.771 1.00 0.00 H new ATOM 0 HA SER A 41 7.525 -5.852 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.993 -7.504 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.504 -8.422 -7.498 1.00 0.00 H new ATOM 0 HG SER A 41 9.371 -7.913 -9.588 1.00 0.00 H new ATOM 605 N ALA A 42 8.145 -7.368 -4.725 1.00 0.00 N ATOM 606 CA ALA A 42 7.512 -7.977 -3.561 1.00 0.00 C ATOM 607 C ALA A 42 6.311 -7.160 -3.099 1.00 0.00 C ATOM 608 O ALA A 42 5.400 -7.683 -2.458 1.00 0.00 O ATOM 609 CB ALA A 42 8.519 -8.123 -2.429 1.00 0.00 C ATOM 0 H ALA A 42 9.157 -7.268 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 42 7.157 -8.967 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.033 -8.579 -1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.345 -8.755 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.901 -7.140 -2.153 1.00 0.00 H new ATOM 615 N VAL A 43 6.316 -5.871 -3.428 1.00 0.00 N ATOM 616 CA VAL A 43 5.226 -4.981 -3.046 1.00 0.00 C ATOM 617 C VAL A 43 4.208 -4.844 -4.174 1.00 0.00 C ATOM 618 O VAL A 43 3.063 -4.453 -3.947 1.00 0.00 O ATOM 619 CB VAL A 43 5.750 -3.582 -2.670 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.621 -2.563 -2.704 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.410 -3.612 -1.301 1.00 0.00 C ATOM 0 H VAL A 43 7.062 -5.421 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 43 4.743 -5.426 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 43 6.499 -3.284 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.009 -1.581 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.196 -2.524 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.847 -2.854 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.775 -2.616 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.683 -3.931 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.246 -4.311 -1.315 1.00 0.00 H new ATOM 631 N LEU A 44 4.634 -5.169 -5.390 1.00 0.00 N ATOM 632 CA LEU A 44 3.760 -5.083 -6.554 1.00 0.00 C ATOM 633 C LEU A 44 3.052 -6.411 -6.803 1.00 0.00 C ATOM 634 O LEU A 44 2.014 -6.460 -7.464 1.00 0.00 O ATOM 635 CB LEU A 44 4.564 -4.681 -7.793 1.00 0.00 C ATOM 636 CG LEU A 44 5.486 -3.472 -7.631 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.306 -3.254 -8.893 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.678 -2.227 -7.295 1.00 0.00 C ATOM 0 H LEU A 44 5.579 -5.494 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 44 3.006 -4.322 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.168 -5.534 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.865 -4.474 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 44 6.172 -3.669 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.956 -2.389 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.913 -4.138 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.637 -3.078 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.350 -1.376 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.969 -2.026 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.136 -2.386 -6.363 1.00 0.00 H new ATOM 650 N LYS A 45 3.618 -7.487 -6.268 1.00 0.00 N ATOM 651 CA LYS A 45 3.040 -8.816 -6.427 1.00 0.00 C ATOM 652 C LYS A 45 1.616 -8.859 -5.884 1.00 0.00 C ATOM 653 O LYS A 45 0.767 -9.591 -6.394 1.00 0.00 O ATOM 654 CB LYS A 45 3.901 -9.858 -5.711 1.00 0.00 C ATOM 655 CG LYS A 45 3.729 -9.858 -4.202 1.00 0.00 C ATOM 656 CD LYS A 45 4.248 -11.144 -3.581 1.00 0.00 C ATOM 657 CE LYS A 45 4.930 -10.883 -2.246 1.00 0.00 C ATOM 658 NZ LYS A 45 5.109 -12.135 -1.461 1.00 0.00 N ATOM 0 H LYS A 45 4.478 -7.465 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 45 3.011 -9.047 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.654 -10.847 -6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.949 -9.676 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.259 -9.007 -3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.675 -9.733 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.421 -11.840 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.952 -11.621 -4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.902 -10.421 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.338 -10.174 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.577 -11.915 -0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.180 -12.563 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.695 -12.803 -2.001 1.00 0.00 H new ATOM 672 N LEU A 46 1.359 -8.069 -4.847 1.00 0.00 N ATOM 673 CA LEU A 46 0.036 -8.015 -4.234 1.00 0.00 C ATOM 674 C LEU A 46 -0.921 -7.178 -5.077 1.00 0.00 C ATOM 675 O LEU A 46 -2.100 -7.047 -4.751 1.00 0.00 O ATOM 676 CB LEU A 46 0.129 -7.437 -2.822 1.00 0.00 C ATOM 677 CG LEU A 46 1.307 -6.497 -2.557 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.984 -5.544 -1.417 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.565 -7.296 -2.248 1.00 0.00 C ATOM 0 H LEU A 46 2.050 -7.457 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.353 -9.032 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.795 -6.898 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.185 -8.265 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 46 1.486 -5.906 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.833 -4.883 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.109 -4.949 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.778 -6.116 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.394 -6.613 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.397 -7.912 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.807 -7.937 -3.096 1.00 0.00 H new ATOM 691 N ALA A 47 -0.404 -6.614 -6.165 1.00 0.00 N ATOM 692 CA ALA A 47 -1.214 -5.794 -7.058 1.00 0.00 C ATOM 693 C ALA A 47 -1.159 -6.319 -8.487 1.00 0.00 C ATOM 694 O ALA A 47 -2.029 -6.018 -9.303 1.00 0.00 O ATOM 695 CB ALA A 47 -0.750 -4.345 -7.007 1.00 0.00 C ATOM 0 H ALA A 47 0.571 -6.710 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.249 -5.846 -6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.363 -3.743 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.848 -3.967 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.293 -4.286 -7.317 1.00 0.00 H new ATOM 701 N GLU A 48 -0.129 -7.107 -8.785 1.00 0.00 N ATOM 702 CA GLU A 48 0.039 -7.672 -10.119 1.00 0.00 C ATOM 703 C GLU A 48 -1.230 -8.391 -10.568 1.00 0.00 C ATOM 704 O GLU A 48 -1.852 -8.037 -11.570 1.00 0.00 O ATOM 705 CB GLU A 48 1.222 -8.642 -10.139 1.00 0.00 C ATOM 706 CG GLU A 48 2.497 -8.035 -10.703 1.00 0.00 C ATOM 707 CD GLU A 48 3.064 -8.836 -11.858 1.00 0.00 C ATOM 708 OE1 GLU A 48 3.675 -9.894 -11.605 1.00 0.00 O ATOM 709 OE2 GLU A 48 2.894 -8.403 -13.018 1.00 0.00 O ATOM 0 H GLU A 48 0.600 -7.368 -8.121 1.00 0.00 H new ATOM 0 HA GLU A 48 0.237 -6.854 -10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.413 -8.990 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.954 -9.517 -10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.294 -7.018 -11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.244 -7.968 -9.912 1.00 0.00 H new ATOM 716 N PRO A 49 -1.623 -9.426 -9.811 1.00 0.00 N ATOM 717 CA PRO A 49 -2.820 -10.217 -10.111 1.00 0.00 C ATOM 718 C PRO A 49 -4.107 -9.432 -9.879 1.00 0.00 C ATOM 719 O PRO A 49 -5.206 -9.965 -10.031 1.00 0.00 O ATOM 720 CB PRO A 49 -2.725 -11.389 -9.132 1.00 0.00 C ATOM 721 CG PRO A 49 -1.908 -10.872 -7.999 1.00 0.00 C ATOM 722 CD PRO A 49 -0.929 -9.903 -8.603 1.00 0.00 C ATOM 0 HA PRO A 49 -2.857 -10.520 -11.157 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.713 -11.705 -8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.254 -12.255 -9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.537 -10.380 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.389 -11.684 -7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.701 -9.084 -7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.017 -10.387 -8.847 1.00 0.00 H new ATOM 730 N TYR A 50 -3.962 -8.164 -9.512 1.00 0.00 N ATOM 731 CA TYR A 50 -5.114 -7.306 -9.256 1.00 0.00 C ATOM 732 C TYR A 50 -5.336 -6.337 -10.413 1.00 0.00 C ATOM 733 O TYR A 50 -6.473 -6.055 -10.791 1.00 0.00 O ATOM 734 CB TYR A 50 -4.917 -6.528 -7.954 1.00 0.00 C ATOM 735 CG TYR A 50 -4.978 -7.394 -6.716 1.00 0.00 C ATOM 736 CD1 TYR A 50 -3.862 -8.094 -6.279 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.154 -7.512 -5.985 1.00 0.00 C ATOM 738 CE1 TYR A 50 -3.913 -8.887 -5.149 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.214 -8.302 -4.853 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.092 -8.987 -4.439 1.00 0.00 C ATOM 741 OH TYR A 50 -5.147 -9.776 -3.313 1.00 0.00 O ATOM 0 H TYR A 50 -3.059 -7.707 -9.385 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.996 -7.940 -9.162 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.952 -6.021 -7.986 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.681 -5.754 -7.884 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.938 -8.017 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.035 -6.977 -6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.035 -9.425 -4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.135 -8.382 -4.295 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.048 -9.737 -2.930 1.00 0.00 H new ATOM 751 N GLY A 51 -4.242 -5.830 -10.972 1.00 0.00 N ATOM 752 CA GLY A 51 -4.338 -4.897 -12.080 1.00 0.00 C ATOM 753 C GLY A 51 -2.979 -4.470 -12.597 1.00 0.00 C ATOM 754 O GLY A 51 -1.960 -4.678 -11.937 1.00 0.00 O ATOM 0 H GLY A 51 -3.290 -6.049 -10.677 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.904 -5.357 -12.890 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.896 -4.016 -11.762 1.00 0.00 H new ATOM 758 N LYS A 52 -2.961 -3.871 -13.783 1.00 0.00 N ATOM 759 CA LYS A 52 -1.717 -3.412 -14.391 1.00 0.00 C ATOM 760 C LYS A 52 -1.128 -2.243 -13.608 1.00 0.00 C ATOM 761 O LYS A 52 -1.727 -1.169 -13.535 1.00 0.00 O ATOM 762 CB LYS A 52 -1.958 -2.998 -15.844 1.00 0.00 C ATOM 763 CG LYS A 52 -1.507 -4.038 -16.856 1.00 0.00 C ATOM 764 CD LYS A 52 -0.792 -3.397 -18.033 1.00 0.00 C ATOM 765 CE LYS A 52 -1.129 -4.100 -19.340 1.00 0.00 C ATOM 766 NZ LYS A 52 -0.632 -5.503 -19.358 1.00 0.00 N ATOM 0 H LYS A 52 -3.795 -3.692 -14.343 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.004 -4.237 -14.369 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.021 -2.802 -15.986 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.433 -2.063 -16.038 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.843 -4.754 -16.372 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.371 -4.597 -17.215 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.072 -2.346 -18.101 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.285 -3.430 -17.868 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.209 -4.095 -19.487 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.691 -3.549 -20.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.851 -5.937 -20.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.397 -5.509 -19.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.094 -6.045 -18.600 1.00 0.00 H new ATOM 780 N ILE A 53 0.047 -2.458 -13.026 1.00 0.00 N ATOM 781 CA ILE A 53 0.717 -1.421 -12.252 1.00 0.00 C ATOM 782 C ILE A 53 1.246 -0.313 -13.158 1.00 0.00 C ATOM 783 O ILE A 53 2.358 -0.399 -13.677 1.00 0.00 O ATOM 784 CB ILE A 53 1.884 -1.997 -11.430 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.379 -3.081 -10.476 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.586 -0.890 -10.657 1.00 0.00 C ATOM 787 CD1 ILE A 53 1.968 -4.448 -10.748 1.00 0.00 C ATOM 0 H ILE A 53 0.555 -3.341 -13.076 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.026 -1.006 -11.571 1.00 0.00 H new ATOM 0 HB ILE A 53 2.603 -2.447 -12.115 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.614 -2.790 -9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.293 -3.141 -10.549 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.409 -1.314 -10.081 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.976 -0.149 -11.355 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.877 -0.413 -9.980 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.565 -5.166 -10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.711 -4.760 -11.760 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.052 -4.404 -10.646 1.00 0.00 H new ATOM 799 N LYS A 54 0.440 0.728 -13.343 1.00 0.00 N ATOM 800 CA LYS A 54 0.826 1.855 -14.183 1.00 0.00 C ATOM 801 C LYS A 54 1.914 2.687 -13.511 1.00 0.00 C ATOM 802 O LYS A 54 2.674 3.386 -14.179 1.00 0.00 O ATOM 803 CB LYS A 54 -0.390 2.734 -14.483 1.00 0.00 C ATOM 804 CG LYS A 54 -0.799 2.726 -15.946 1.00 0.00 C ATOM 805 CD LYS A 54 -1.649 1.511 -16.281 1.00 0.00 C ATOM 806 CE LYS A 54 -1.052 0.713 -17.429 1.00 0.00 C ATOM 807 NZ LYS A 54 -0.897 1.539 -18.658 1.00 0.00 N ATOM 0 H LYS A 54 -0.485 0.814 -12.922 1.00 0.00 H new ATOM 0 HA LYS A 54 1.221 1.460 -15.119 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.231 2.396 -13.877 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.171 3.758 -14.181 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.356 3.635 -16.174 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.092 2.732 -16.574 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.738 0.874 -15.401 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.657 1.832 -16.545 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.080 0.320 -17.131 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.690 -0.144 -17.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.903 0.921 -19.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.684 2.216 -18.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.004 2.057 -18.617 1.00 0.00 H new ATOM 821 N ASN A 55 1.984 2.603 -12.186 1.00 0.00 N ATOM 822 CA ASN A 55 2.980 3.348 -11.424 1.00 0.00 C ATOM 823 C ASN A 55 3.047 2.850 -9.983 1.00 0.00 C ATOM 824 O ASN A 55 2.035 2.448 -9.407 1.00 0.00 O ATOM 825 CB ASN A 55 2.655 4.843 -11.445 1.00 0.00 C ATOM 826 CG ASN A 55 3.868 5.693 -11.767 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.967 5.176 -11.970 1.00 0.00 O ATOM 828 ND2 ASN A 55 3.674 7.006 -11.816 1.00 0.00 N ATOM 0 H ASN A 55 1.363 2.027 -11.618 1.00 0.00 H new ATOM 0 HA ASN A 55 3.952 3.188 -11.890 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.876 5.032 -12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.254 5.139 -10.475 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.453 7.629 -12.029 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.746 7.391 -11.641 1.00 0.00 H new ATOM 835 N TYR A 56 4.243 2.880 -9.408 1.00 0.00 N ATOM 836 CA TYR A 56 4.443 2.431 -8.036 1.00 0.00 C ATOM 837 C TYR A 56 5.466 3.306 -7.319 1.00 0.00 C ATOM 838 O TYR A 56 6.343 3.898 -7.950 1.00 0.00 O ATOM 839 CB TYR A 56 4.901 0.972 -8.015 1.00 0.00 C ATOM 840 CG TYR A 56 6.379 0.798 -8.278 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.872 0.736 -9.576 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.284 0.694 -7.229 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.221 0.576 -9.821 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.636 0.536 -7.465 1.00 0.00 C ATOM 845 CZ TYR A 56 9.099 0.476 -8.762 1.00 0.00 C ATOM 846 OH TYR A 56 10.445 0.317 -9.001 1.00 0.00 O ATOM 0 H TYR A 56 5.090 3.211 -9.871 1.00 0.00 H new ATOM 0 HA TYR A 56 3.490 2.514 -7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.660 0.538 -7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.339 0.413 -8.763 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.187 0.814 -10.408 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.924 0.737 -6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.587 0.529 -10.836 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.326 0.460 -6.638 1.00 0.00 H new ATOM 0 HH TYR A 56 10.925 0.264 -8.148 1.00 0.00 H new ATOM 856 N ILE A 57 5.348 3.383 -5.998 1.00 0.00 N ATOM 857 CA ILE A 57 6.262 4.184 -5.194 1.00 0.00 C ATOM 858 C ILE A 57 6.719 3.422 -3.955 1.00 0.00 C ATOM 859 O ILE A 57 5.909 3.074 -3.094 1.00 0.00 O ATOM 860 CB ILE A 57 5.613 5.512 -4.757 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.561 6.490 -5.932 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.380 6.117 -3.591 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.812 7.327 -6.078 1.00 0.00 C ATOM 0 H ILE A 57 4.628 2.900 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 57 7.126 4.401 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 57 4.593 5.311 -4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.399 5.930 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.704 7.151 -5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.910 7.054 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.371 5.423 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.410 6.307 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.704 7.997 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.965 7.914 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.670 6.674 -6.236 1.00 0.00 H new ATOM 875 N LEU A 58 8.019 3.167 -3.870 1.00 0.00 N ATOM 876 CA LEU A 58 8.584 2.447 -2.735 1.00 0.00 C ATOM 877 C LEU A 58 9.298 3.403 -1.783 1.00 0.00 C ATOM 878 O LEU A 58 10.462 3.743 -1.987 1.00 0.00 O ATOM 879 CB LEU A 58 9.558 1.372 -3.220 1.00 0.00 C ATOM 880 CG LEU A 58 9.180 -0.073 -2.894 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.054 -0.267 -1.392 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.885 -0.456 -3.595 1.00 0.00 C ATOM 0 H LEU A 58 8.702 3.448 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 58 7.765 1.970 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.661 1.464 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.538 1.576 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 58 9.973 -0.727 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.784 -1.302 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.006 -0.035 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.281 0.396 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.631 -1.488 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.083 0.203 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.012 -0.358 -4.673 1.00 0.00 H new ATOM 894 N MET A 59 8.590 3.830 -0.742 1.00 0.00 N ATOM 895 CA MET A 59 9.158 4.745 0.242 1.00 0.00 C ATOM 896 C MET A 59 9.611 3.990 1.487 1.00 0.00 C ATOM 897 O MET A 59 8.793 3.433 2.220 1.00 0.00 O ATOM 898 CB MET A 59 8.133 5.815 0.625 1.00 0.00 C ATOM 899 CG MET A 59 8.187 7.051 -0.257 1.00 0.00 C ATOM 900 SD MET A 59 7.106 8.370 0.328 1.00 0.00 S ATOM 901 CE MET A 59 5.984 8.528 -1.059 1.00 0.00 C ATOM 0 H MET A 59 7.624 3.558 -0.558 1.00 0.00 H new ATOM 0 HA MET A 59 10.027 5.228 -0.205 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.133 5.384 0.572 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.298 6.110 1.661 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.212 7.418 -0.298 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.905 6.779 -1.274 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.242 9.296 -0.841 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.545 8.808 -1.951 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.482 7.576 -1.231 1.00 0.00 H new ATOM 911 N ARG A 60 10.919 3.974 1.721 1.00 0.00 N ATOM 912 CA ARG A 60 11.482 3.286 2.877 1.00 0.00 C ATOM 913 C ARG A 60 11.533 4.212 4.089 1.00 0.00 C ATOM 914 O ARG A 60 11.627 3.754 5.227 1.00 0.00 O ATOM 915 CB ARG A 60 12.886 2.769 2.556 1.00 0.00 C ATOM 916 CG ARG A 60 13.498 1.939 3.672 1.00 0.00 C ATOM 917 CD ARG A 60 14.376 2.785 4.580 1.00 0.00 C ATOM 918 NE ARG A 60 14.023 2.626 5.988 1.00 0.00 N ATOM 919 CZ ARG A 60 14.344 1.558 6.710 1.00 0.00 C ATOM 920 NH1 ARG A 60 15.023 0.562 6.159 1.00 0.00 N ATOM 921 NH2 ARG A 60 13.986 1.486 7.986 1.00 0.00 N ATOM 0 H ARG A 60 11.610 4.430 1.125 1.00 0.00 H new ATOM 0 HA ARG A 60 10.837 2.440 3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.844 2.167 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.537 3.617 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.705 1.476 4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.090 1.130 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.420 2.508 4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.283 3.834 4.299 1.00 0.00 H new ATOM 0 HE ARG A 60 13.501 3.376 6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.300 0.615 5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.268 -0.257 6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.464 2.251 8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.233 0.666 8.539 1.00 0.00 H new ATOM 935 N MET A 61 11.469 5.514 3.835 1.00 0.00 N ATOM 936 CA MET A 61 11.507 6.503 4.906 1.00 0.00 C ATOM 937 C MET A 61 10.607 6.086 6.064 1.00 0.00 C ATOM 938 O MET A 61 11.089 5.692 7.127 1.00 0.00 O ATOM 939 CB MET A 61 11.076 7.874 4.378 1.00 0.00 C ATOM 940 CG MET A 61 12.232 8.718 3.865 1.00 0.00 C ATOM 941 SD MET A 61 12.141 10.431 4.419 1.00 0.00 S ATOM 942 CE MET A 61 12.608 10.255 6.139 1.00 0.00 C ATOM 0 H MET A 61 11.391 5.909 2.898 1.00 0.00 H new ATOM 0 HA MET A 61 12.532 6.567 5.271 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.354 7.734 3.574 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.566 8.417 5.174 1.00 0.00 H new ATOM 0 HG2 MET A 61 13.173 8.281 4.201 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.240 8.693 2.775 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.702 11.241 6.593 1.00 0.00 H new ATOM 0 HE2 MET A 61 11.844 9.684 6.667 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.562 9.732 6.205 1.00 0.00 H new ATOM 952 N LYS A 62 9.298 6.174 5.852 1.00 0.00 N ATOM 953 CA LYS A 62 8.330 5.804 6.878 1.00 0.00 C ATOM 954 C LYS A 62 7.669 4.470 6.546 1.00 0.00 C ATOM 955 O LYS A 62 6.497 4.253 6.855 1.00 0.00 O ATOM 956 CB LYS A 62 7.264 6.893 7.019 1.00 0.00 C ATOM 957 CG LYS A 62 6.531 6.858 8.349 1.00 0.00 C ATOM 958 CD LYS A 62 5.845 8.182 8.642 1.00 0.00 C ATOM 959 CE LYS A 62 4.840 8.050 9.775 1.00 0.00 C ATOM 960 NZ LYS A 62 5.458 8.337 11.100 1.00 0.00 N ATOM 0 H LYS A 62 8.883 6.498 4.979 1.00 0.00 H new ATOM 0 HA LYS A 62 8.862 5.700 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.735 7.869 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.540 6.787 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.790 6.058 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.236 6.627 9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.593 8.931 8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.339 8.537 7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.009 8.735 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.426 7.042 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.741 8.237 11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.234 7.667 11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.831 9.308 11.106 1.00 0.00 H new ATOM 974 N SER A 63 8.428 3.578 5.917 1.00 0.00 N ATOM 975 CA SER A 63 7.914 2.267 5.541 1.00 0.00 C ATOM 976 C SER A 63 6.533 2.386 4.905 1.00 0.00 C ATOM 977 O SER A 63 5.536 1.939 5.472 1.00 0.00 O ATOM 978 CB SER A 63 7.846 1.352 6.767 1.00 0.00 C ATOM 979 OG SER A 63 9.106 1.266 7.409 1.00 0.00 O ATOM 0 H SER A 63 9.401 3.740 5.657 1.00 0.00 H new ATOM 0 HA SER A 63 8.595 1.833 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.102 1.732 7.468 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.520 0.357 6.465 1.00 0.00 H new ATOM 0 HG SER A 63 9.036 0.678 8.190 1.00 0.00 H new ATOM 985 N GLN A 64 6.483 2.992 3.723 1.00 0.00 N ATOM 986 CA GLN A 64 5.225 3.171 3.009 1.00 0.00 C ATOM 987 C GLN A 64 5.432 3.051 1.502 1.00 0.00 C ATOM 988 O GLN A 64 6.526 3.296 0.995 1.00 0.00 O ATOM 989 CB GLN A 64 4.613 4.532 3.344 1.00 0.00 C ATOM 990 CG GLN A 64 4.005 4.600 4.736 1.00 0.00 C ATOM 991 CD GLN A 64 2.771 5.477 4.793 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.414 6.131 3.811 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.111 5.497 5.944 1.00 0.00 N ATOM 0 H GLN A 64 7.299 3.367 3.240 1.00 0.00 H new ATOM 0 HA GLN A 64 4.541 2.384 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.382 5.299 3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.843 4.766 2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.746 3.593 5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.749 4.981 5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.442 4.940 6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.272 6.070 6.041 1.00 0.00 H new ATOM 1002 N ALA A 65 4.374 2.673 0.793 1.00 0.00 N ATOM 1003 CA ALA A 65 4.439 2.521 -0.655 1.00 0.00 C ATOM 1004 C ALA A 65 3.089 2.814 -1.300 1.00 0.00 C ATOM 1005 O ALA A 65 2.039 2.531 -0.721 1.00 0.00 O ATOM 1006 CB ALA A 65 4.907 1.120 -1.019 1.00 0.00 C ATOM 0 H ALA A 65 3.461 2.466 1.198 1.00 0.00 H new ATOM 0 HA ALA A 65 5.159 3.244 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.951 1.021 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.898 0.947 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.208 0.387 -0.616 1.00 0.00 H new ATOM 1012 N PHE A 66 3.121 3.383 -2.500 1.00 0.00 N ATOM 1013 CA PHE A 66 1.899 3.715 -3.222 1.00 0.00 C ATOM 1014 C PHE A 66 1.886 3.059 -4.600 1.00 0.00 C ATOM 1015 O PHE A 66 2.698 3.389 -5.464 1.00 0.00 O ATOM 1016 CB PHE A 66 1.763 5.232 -3.366 1.00 0.00 C ATOM 1017 CG PHE A 66 1.781 5.963 -2.054 1.00 0.00 C ATOM 1018 CD1 PHE A 66 0.723 5.845 -1.166 1.00 0.00 C ATOM 1019 CD2 PHE A 66 2.854 6.768 -1.708 1.00 0.00 C ATOM 1020 CE1 PHE A 66 0.737 6.517 0.042 1.00 0.00 C ATOM 1021 CE2 PHE A 66 2.874 7.442 -0.501 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.814 7.315 0.375 1.00 0.00 C ATOM 0 H PHE A 66 3.981 3.624 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 66 1.053 3.334 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.575 5.604 -3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.832 5.458 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.121 5.221 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.685 6.870 -2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.094 6.418 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.717 8.066 -0.244 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.827 7.839 1.319 1.00 0.00 H new ATOM 1032 N ILE A 67 0.958 2.128 -4.796 1.00 0.00 N ATOM 1033 CA ILE A 67 0.838 1.426 -6.068 1.00 0.00 C ATOM 1034 C ILE A 67 -0.423 1.849 -6.812 1.00 0.00 C ATOM 1035 O ILE A 67 -1.538 1.578 -6.367 1.00 0.00 O ATOM 1036 CB ILE A 67 0.816 -0.101 -5.867 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.103 -0.567 -5.183 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.634 -0.808 -7.203 1.00 0.00 C ATOM 1039 CD1 ILE A 67 2.036 -1.990 -4.676 1.00 0.00 C ATOM 0 H ILE A 67 0.279 1.843 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 67 1.713 1.693 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.027 -0.356 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.931 -0.479 -5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.322 0.098 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.620 -1.886 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.307 -0.496 -7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.459 -0.549 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.982 -2.253 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.229 -2.079 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.848 -2.665 -5.511 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.239 2.512 -7.949 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.363 2.971 -8.757 1.00 0.00 C ATOM 1053 C GLU A 68 -1.740 1.930 -9.807 1.00 0.00 C ATOM 1054 O GLU A 68 -1.046 1.765 -10.809 1.00 0.00 O ATOM 1055 CB GLU A 68 -1.022 4.298 -9.437 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.989 4.679 -10.547 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.297 4.877 -11.881 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.226 5.519 -11.905 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -1.826 4.390 -12.901 1.00 0.00 O ATOM 0 H GLU A 68 0.678 2.743 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.217 3.119 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.013 5.089 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.015 4.237 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.746 3.901 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.509 5.597 -10.272 1.00 0.00 H new ATOM 1066 N MET A 69 -2.845 1.230 -9.567 1.00 0.00 N ATOM 1067 CA MET A 69 -3.315 0.206 -10.493 1.00 0.00 C ATOM 1068 C MET A 69 -3.714 0.822 -11.829 1.00 0.00 C ATOM 1069 O MET A 69 -3.773 2.043 -11.966 1.00 0.00 O ATOM 1070 CB MET A 69 -4.502 -0.548 -9.891 1.00 0.00 C ATOM 1071 CG MET A 69 -4.217 -1.133 -8.516 1.00 0.00 C ATOM 1072 SD MET A 69 -2.665 -2.047 -8.458 1.00 0.00 S ATOM 1073 CE MET A 69 -3.060 -3.451 -9.498 1.00 0.00 C ATOM 0 H MET A 69 -3.430 1.353 -8.741 1.00 0.00 H new ATOM 0 HA MET A 69 -2.498 -0.494 -10.667 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.353 0.129 -9.819 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.791 -1.353 -10.567 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.187 -0.328 -7.782 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.035 -1.795 -8.230 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.143 -3.976 -9.764 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.722 -4.128 -8.959 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.556 -3.104 -10.405 1.00 0.00 H new ATOM 1083 N GLU A 70 -3.985 -0.031 -12.812 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.378 0.432 -14.138 1.00 0.00 C ATOM 1085 C GLU A 70 -5.821 0.925 -14.136 1.00 0.00 C ATOM 1086 O GLU A 70 -6.172 1.855 -14.864 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.212 -0.692 -15.164 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.612 -0.292 -16.574 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.022 -1.480 -17.424 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.155 -1.972 -17.249 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.206 -1.916 -18.264 1.00 0.00 O ATOM 0 H GLU A 70 -3.940 -1.045 -12.715 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.729 1.264 -14.412 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.172 -1.017 -15.169 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.812 -1.547 -14.854 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.438 0.418 -16.526 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.778 0.222 -17.052 1.00 0.00 H new ATOM 1098 N THR A 71 -6.655 0.297 -13.315 1.00 0.00 N ATOM 1099 CA THR A 71 -8.061 0.670 -13.220 1.00 0.00 C ATOM 1100 C THR A 71 -8.505 0.770 -11.764 1.00 0.00 C ATOM 1101 O THR A 71 -8.032 0.023 -10.908 1.00 0.00 O ATOM 1102 CB THR A 71 -8.962 -0.342 -13.952 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.282 -1.433 -13.081 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.278 -0.869 -15.203 1.00 0.00 C ATOM 0 H THR A 71 -6.381 -0.473 -12.705 1.00 0.00 H new ATOM 0 HA THR A 71 -8.163 1.645 -13.696 1.00 0.00 H new ATOM 0 HB THR A 71 -9.879 0.168 -14.246 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.583 -2.117 -13.144 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.933 -1.582 -15.703 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.063 -0.040 -15.877 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.347 -1.364 -14.927 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.419 1.697 -11.493 1.00 0.00 N ATOM 1113 CA ARG A 72 -9.927 1.894 -10.141 1.00 0.00 C ATOM 1114 C ARG A 72 -10.440 0.581 -9.555 1.00 0.00 C ATOM 1115 O ARG A 72 -10.282 0.317 -8.364 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.047 2.936 -10.140 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.546 3.293 -8.750 1.00 0.00 C ATOM 1118 CD ARG A 72 -11.021 4.647 -8.300 1.00 0.00 C ATOM 1119 NE ARG A 72 -11.843 5.229 -7.242 1.00 0.00 N ATOM 1120 CZ ARG A 72 -11.665 6.455 -6.762 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -10.699 7.225 -7.244 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -12.454 6.913 -5.799 1.00 0.00 N ATOM 0 H ARG A 72 -9.822 2.322 -12.191 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.105 2.253 -9.521 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.690 3.841 -10.632 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.882 2.560 -10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.636 3.304 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.232 2.526 -8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.996 4.539 -7.945 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.993 5.326 -9.152 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.595 4.663 -6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.091 6.876 -7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.564 8.166 -6.874 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.198 6.324 -5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.316 7.854 -5.431 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.057 -0.238 -10.403 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.594 -1.521 -9.969 1.00 0.00 C ATOM 1138 C GLU A 73 -10.536 -2.330 -9.221 1.00 0.00 C ATOM 1139 O GLU A 73 -10.716 -2.675 -8.052 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.104 -2.319 -11.171 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.240 -1.638 -11.915 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.556 -2.378 -11.773 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -15.265 -2.140 -10.774 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -14.877 -3.195 -12.662 1.00 0.00 O ATOM 0 H GLU A 73 -11.196 -0.035 -11.393 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.425 -1.326 -9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.278 -2.487 -11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.439 -3.299 -10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.357 -0.621 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.983 -1.561 -12.971 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.435 -2.626 -9.902 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.349 -3.392 -9.303 1.00 0.00 C ATOM 1153 C ASP A 74 -8.026 -2.876 -7.904 1.00 0.00 C ATOM 1154 O ASP A 74 -8.312 -3.537 -6.907 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.102 -3.325 -10.186 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.412 -3.581 -11.648 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.019 -4.628 -11.950 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -7.049 -2.731 -12.488 1.00 0.00 O ATOM 0 H ASP A 74 -9.271 -2.347 -10.869 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.672 -4.430 -9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.640 -2.343 -10.082 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.375 -4.058 -9.838 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.428 -1.691 -7.840 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.068 -1.085 -6.564 1.00 0.00 C ATOM 1165 C ALA A 75 -8.171 -1.285 -5.530 1.00 0.00 C ATOM 1166 O ALA A 75 -7.901 -1.637 -4.382 1.00 0.00 O ATOM 1167 CB ALA A 75 -6.775 0.397 -6.747 1.00 0.00 C ATOM 0 H ALA A 75 -7.183 -1.132 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.168 -1.579 -6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.508 0.836 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.947 0.521 -7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.660 0.897 -7.141 1.00 0.00 H new ATOM 1173 N MET A 76 -9.413 -1.059 -5.946 1.00 0.00 N ATOM 1174 CA MET A 76 -10.557 -1.215 -5.054 1.00 0.00 C ATOM 1175 C MET A 76 -10.688 -2.662 -4.588 1.00 0.00 C ATOM 1176 O MET A 76 -11.039 -2.923 -3.438 1.00 0.00 O ATOM 1177 CB MET A 76 -11.842 -0.774 -5.757 1.00 0.00 C ATOM 1178 CG MET A 76 -11.829 0.684 -6.186 1.00 0.00 C ATOM 1179 SD MET A 76 -12.916 1.713 -5.180 1.00 0.00 S ATOM 1180 CE MET A 76 -11.782 3.000 -4.666 1.00 0.00 C ATOM 0 H MET A 76 -9.653 -0.768 -6.894 1.00 0.00 H new ATOM 0 HA MET A 76 -10.395 -0.584 -4.180 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.000 -1.401 -6.634 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.687 -0.940 -5.089 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.811 1.068 -6.123 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.133 0.754 -7.231 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.335 3.922 -4.486 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.277 2.695 -3.749 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.042 3.167 -5.449 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.405 -3.598 -5.488 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.490 -5.017 -5.169 1.00 0.00 C ATOM 1192 C ALA A 77 -9.423 -5.417 -4.156 1.00 0.00 C ATOM 1193 O ALA A 77 -9.636 -6.309 -3.335 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.359 -5.852 -6.434 1.00 0.00 C ATOM 0 H ALA A 77 -10.114 -3.398 -6.445 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.466 -5.205 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.424 -6.910 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.162 -5.594 -7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.397 -5.651 -6.905 1.00 0.00 H new ATOM 1200 N MET A 78 -8.275 -4.751 -4.220 1.00 0.00 N ATOM 1201 CA MET A 78 -7.173 -5.038 -3.307 1.00 0.00 C ATOM 1202 C MET A 78 -7.540 -4.655 -1.877 1.00 0.00 C ATOM 1203 O MET A 78 -7.610 -5.511 -0.993 1.00 0.00 O ATOM 1204 CB MET A 78 -5.914 -4.287 -3.742 1.00 0.00 C ATOM 1205 CG MET A 78 -4.633 -5.081 -3.543 1.00 0.00 C ATOM 1206 SD MET A 78 -3.226 -4.358 -4.406 1.00 0.00 S ATOM 1207 CE MET A 78 -1.907 -4.687 -3.240 1.00 0.00 C ATOM 0 H MET A 78 -8.083 -4.009 -4.894 1.00 0.00 H new ATOM 0 HA MET A 78 -6.976 -6.110 -3.338 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.006 -4.019 -4.795 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.845 -3.355 -3.181 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.409 -5.141 -2.478 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.784 -6.102 -3.895 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.981 -4.879 -3.783 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.773 -3.823 -2.589 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.163 -5.559 -2.638 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.773 -3.365 -1.655 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.132 -2.871 -0.331 1.00 0.00 C ATOM 1219 C VAL A 79 -9.300 -3.658 0.251 1.00 0.00 C ATOM 1220 O VAL A 79 -9.403 -3.827 1.467 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.505 -1.377 -0.374 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.511 -0.602 -1.225 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.922 -1.197 -0.896 1.00 0.00 C ATOM 0 H VAL A 79 -7.720 -2.644 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.257 -3.003 0.305 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.463 -0.981 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.791 0.451 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.512 -0.704 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.517 -0.997 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.169 -0.136 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.994 -1.609 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.620 -1.717 -0.240 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.177 -4.139 -0.623 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.338 -4.912 -0.196 1.00 0.00 C ATOM 1235 C ASP A 80 -10.934 -6.331 0.190 1.00 0.00 C ATOM 1236 O ASP A 80 -11.316 -6.830 1.250 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.388 -4.952 -1.308 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.794 -4.737 -0.784 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.413 -5.719 -0.326 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.276 -3.585 -0.833 1.00 0.00 O ATOM 0 H ASP A 80 -10.106 -4.007 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.766 -4.424 0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.158 -4.186 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.337 -5.914 -1.818 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.159 -6.978 -0.675 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.704 -8.340 -0.425 1.00 0.00 C ATOM 1247 C HIS A 81 -8.978 -8.433 0.914 1.00 0.00 C ATOM 1248 O HIS A 81 -8.778 -9.524 1.449 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.784 -8.808 -1.552 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.808 -10.289 -1.770 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -8.067 -11.174 -1.015 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -9.493 -11.041 -2.664 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -8.292 -12.406 -1.437 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -9.155 -12.353 -2.436 1.00 0.00 N ATOM 0 H HIS A 81 -9.833 -6.580 -1.556 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.579 -8.989 -0.389 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.073 -8.308 -2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.763 -8.499 -1.328 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.177 -10.677 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -7.846 -13.303 -1.034 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.512 -13.156 -2.954 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.584 -7.282 1.448 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.877 -7.233 2.723 1.00 0.00 C ATOM 1264 C CYS A 82 -8.861 -7.225 3.889 1.00 0.00 C ATOM 1265 O CYS A 82 -8.522 -7.629 5.003 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.981 -5.995 2.787 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.268 -5.683 4.418 1.00 0.00 S ATOM 0 H CYS A 82 -8.742 -6.371 1.018 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.256 -8.125 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.173 -6.107 2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.561 -5.124 2.483 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.932 -6.347 5.316 1.00 0.00 H new ATOM 1273 N LEU A 83 -10.077 -6.761 3.627 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.110 -6.698 4.655 1.00 0.00 C ATOM 1275 C LEU A 83 -11.569 -8.097 5.052 1.00 0.00 C ATOM 1276 O LEU A 83 -11.683 -8.412 6.237 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.303 -5.880 4.158 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.974 -4.514 3.552 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -13.195 -3.930 2.860 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.461 -3.565 4.625 1.00 0.00 C ATOM 0 H LEU A 83 -10.372 -6.423 2.711 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.685 -6.212 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.835 -6.468 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.988 -5.730 4.992 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.189 -4.647 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.942 -2.959 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.518 -4.601 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.001 -3.811 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.232 -2.598 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.224 -3.437 5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.559 -3.979 5.076 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.829 -8.935 4.054 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.273 -10.302 4.297 1.00 0.00 C ATOM 1294 C LYS A 84 -11.096 -11.195 4.680 1.00 0.00 C ATOM 1295 O LYS A 84 -11.189 -11.997 5.610 1.00 0.00 O ATOM 1296 CB LYS A 84 -12.969 -10.863 3.055 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.178 -10.053 2.619 1.00 0.00 C ATOM 1298 CD LYS A 84 -13.840 -9.123 1.466 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.121 -9.777 0.122 1.00 0.00 C ATOM 1300 NZ LYS A 84 -15.578 -9.812 -0.184 1.00 0.00 N ATOM 0 H LYS A 84 -11.740 -8.691 3.068 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.981 -10.286 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.253 -10.903 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.281 -11.888 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.980 -10.728 2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.549 -9.469 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.422 -8.206 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.789 -8.840 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.598 -9.232 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.726 -10.793 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.718 -10.107 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.050 -10.488 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.985 -8.865 -0.044 1.00 0.00 H new ATOM 1314 N LYS A 85 -9.990 -11.051 3.958 1.00 0.00 N ATOM 1315 CA LYS A 85 -8.794 -11.842 4.223 1.00 0.00 C ATOM 1316 C LYS A 85 -7.632 -10.948 4.643 1.00 0.00 C ATOM 1317 O LYS A 85 -7.507 -9.816 4.175 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.407 -12.651 2.982 1.00 0.00 C ATOM 1319 CG LYS A 85 -9.542 -13.493 2.427 1.00 0.00 C ATOM 1320 CD LYS A 85 -9.594 -14.862 3.086 1.00 0.00 C ATOM 1321 CE LYS A 85 -10.905 -15.574 2.789 1.00 0.00 C ATOM 1322 NZ LYS A 85 -10.993 -16.887 3.485 1.00 0.00 N ATOM 0 H LYS A 85 -9.897 -10.393 3.184 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.016 -12.527 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.060 -11.968 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.570 -13.303 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.489 -12.977 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.416 -13.611 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.761 -15.469 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.474 -14.753 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.739 -14.943 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.000 -15.726 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.901 -17.341 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.212 -17.499 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.928 -16.740 4.513 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.784 -11.463 5.527 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.630 -10.713 6.005 1.00 0.00 C ATOM 1338 C ALA A 86 -4.478 -10.781 5.010 1.00 0.00 C ATOM 1339 O ALA A 86 -3.900 -11.846 4.786 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.188 -11.236 7.365 1.00 0.00 C ATOM 0 H ALA A 86 -6.875 -12.397 5.927 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.924 -9.668 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.325 -10.667 7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.004 -11.127 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.918 -12.289 7.280 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.149 -9.641 4.413 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.064 -9.572 3.440 1.00 0.00 C ATOM 1348 C LEU A 87 -1.706 -9.643 4.130 1.00 0.00 C ATOM 1349 O LEU A 87 -1.334 -8.742 4.882 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.166 -8.282 2.624 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.756 -8.383 1.155 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.543 -7.392 0.311 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.261 -8.147 1.001 1.00 0.00 C ATOM 0 H LEU A 87 -4.618 -8.752 4.585 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.156 -10.428 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.196 -7.927 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.546 -7.523 3.102 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.983 -9.389 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.237 -7.479 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.608 -7.607 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.348 -6.379 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.987 -8.223 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.010 -7.153 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.714 -8.896 1.573 1.00 0.00 H new ATOM 1365 N TRP A 88 -0.971 -10.717 3.870 1.00 0.00 N ATOM 1366 CA TRP A 88 0.347 -10.905 4.466 1.00 0.00 C ATOM 1367 C TRP A 88 1.445 -10.742 3.420 1.00 0.00 C ATOM 1368 O TRP A 88 1.431 -11.405 2.382 1.00 0.00 O ATOM 1369 CB TRP A 88 0.444 -12.286 5.115 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.312 -12.392 6.404 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.562 -12.912 6.582 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.133 -11.964 7.696 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.920 -12.833 7.905 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.897 -12.256 8.610 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.304 -11.364 8.170 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.792 -11.969 9.968 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.407 -11.079 9.518 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.364 -11.381 10.404 1.00 0.00 C ATOM 0 H TRP A 88 -1.265 -11.472 3.250 1.00 0.00 H new ATOM 0 HA TRP A 88 0.484 -10.142 5.232 1.00 0.00 H new ATOM 0 HB2 TRP A 88 0.066 -13.034 4.418 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.493 -12.521 5.297 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.179 -13.325 5.797 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.805 -13.152 8.299 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.113 -11.128 7.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.594 -12.202 10.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.307 -10.616 9.895 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.475 -11.145 11.452 1.00 0.00 H new ATOM 1433 N ARG A 92 4.155 -10.236 7.075 1.00 0.00 N ATOM 1434 CA ARG A 92 3.732 -9.064 7.832 1.00 0.00 C ATOM 1435 C ARG A 92 2.290 -8.693 7.497 1.00 0.00 C ATOM 1436 O ARG A 92 1.868 -8.778 6.343 1.00 0.00 O ATOM 1437 CB ARG A 92 4.656 -7.881 7.538 1.00 0.00 C ATOM 1438 CG ARG A 92 6.033 -8.012 8.167 1.00 0.00 C ATOM 1439 CD ARG A 92 6.367 -6.810 9.035 1.00 0.00 C ATOM 1440 NE ARG A 92 7.807 -6.644 9.211 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.360 -5.584 9.790 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.596 -4.600 10.246 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.679 -5.507 9.914 1.00 0.00 N ATOM 0 HA ARG A 92 3.790 -9.306 8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.767 -7.778 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.187 -6.966 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.074 -8.919 8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.783 -8.116 7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.951 -5.910 8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.894 -6.925 10.010 1.00 0.00 H new ATOM 0 HE ARG A 92 8.422 -7.383 8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.582 -4.656 10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.023 -3.787 10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.269 -6.262 9.565 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.103 -4.693 10.359 1.00 0.00 H new ATOM 1457 N CYS A 93 1.540 -8.281 8.513 1.00 0.00 N ATOM 1458 CA CYS A 93 0.145 -7.898 8.328 1.00 0.00 C ATOM 1459 C CYS A 93 0.040 -6.503 7.722 1.00 0.00 C ATOM 1460 O CYS A 93 -0.660 -5.636 8.248 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.601 -7.946 9.662 1.00 0.00 C ATOM 1462 SG CYS A 93 -0.133 -6.634 10.815 1.00 0.00 S ATOM 0 H CYS A 93 1.875 -8.204 9.473 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.312 -8.609 7.640 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.672 -7.882 9.470 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.419 -8.912 10.134 1.00 0.00 H new ATOM 0 HG CYS A 93 -0.241 -5.480 10.226 1.00 0.00 H new ATOM 1468 N VAL A 94 0.742 -6.290 6.613 1.00 0.00 N ATOM 1469 CA VAL A 94 0.728 -4.998 5.936 1.00 0.00 C ATOM 1470 C VAL A 94 -0.698 -4.523 5.688 1.00 0.00 C ATOM 1471 O VAL A 94 -1.582 -5.316 5.363 1.00 0.00 O ATOM 1472 CB VAL A 94 1.477 -5.062 4.592 1.00 0.00 C ATOM 1473 CG1 VAL A 94 1.011 -6.260 3.776 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.285 -3.770 3.813 1.00 0.00 C ATOM 0 H VAL A 94 1.327 -6.995 6.165 1.00 0.00 H new ATOM 0 HA VAL A 94 1.234 -4.290 6.593 1.00 0.00 H new ATOM 0 HB VAL A 94 2.541 -5.183 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.552 -6.288 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.205 -7.177 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.058 -6.174 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.821 -3.833 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.223 -3.616 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.673 -2.934 4.394 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.918 -3.222 5.843 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.237 -2.637 5.635 1.00 0.00 C ATOM 1486 C LYS A 95 -2.358 -2.053 4.231 1.00 0.00 C ATOM 1487 O LYS A 95 -1.538 -1.233 3.816 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.506 -1.549 6.677 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.717 -1.829 7.550 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.342 -1.884 9.021 1.00 0.00 C ATOM 1491 CE LYS A 95 -4.141 -2.947 9.761 1.00 0.00 C ATOM 1492 NZ LYS A 95 -3.262 -4.001 10.336 1.00 0.00 N ATOM 0 H LYS A 95 -0.198 -2.552 6.113 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.979 -3.428 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.627 -1.441 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.649 -0.596 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.467 -1.054 7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.170 -2.775 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.277 -2.094 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.518 -0.911 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.716 -2.479 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.857 -3.404 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.844 -4.706 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.732 -4.466 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.595 -3.569 11.007 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.386 -2.477 3.504 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.615 -1.994 2.148 1.00 0.00 C ATOM 1508 C VAL A 96 -4.929 -1.225 2.053 1.00 0.00 C ATOM 1509 O VAL A 96 -6.009 -1.816 2.082 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.638 -3.154 1.135 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.471 -4.310 1.664 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.168 -2.676 -0.210 1.00 0.00 C ATOM 0 H VAL A 96 -4.074 -3.155 3.832 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.788 -1.327 1.906 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.617 -3.509 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.475 -5.120 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.043 -4.668 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.493 -3.973 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.177 -3.508 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.181 -2.293 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.525 -1.884 -0.594 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.828 0.094 1.939 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.008 0.945 1.839 1.00 0.00 C ATOM 1524 C ASP A 97 -5.840 1.979 0.729 1.00 0.00 C ATOM 1525 O ASP A 97 -4.729 2.429 0.449 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.273 1.647 3.171 1.00 0.00 C ATOM 1527 CG ASP A 97 -7.376 0.980 3.969 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -7.497 -0.260 3.891 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -8.118 1.699 4.670 1.00 0.00 O ATOM 0 H ASP A 97 -3.941 0.598 1.913 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.861 0.312 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.357 1.657 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.542 2.686 2.983 1.00 0.00 H new ATOM 1534 N LEU A 98 -6.950 2.350 0.100 1.00 0.00 N ATOM 1535 CA LEU A 98 -6.925 3.331 -0.980 1.00 0.00 C ATOM 1536 C LEU A 98 -6.707 4.738 -0.433 1.00 0.00 C ATOM 1537 O LEU A 98 -7.414 5.180 0.472 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.233 3.277 -1.773 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.109 2.880 -3.244 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.633 1.470 -3.463 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.854 3.870 -4.128 1.00 0.00 C ATOM 0 H LEU A 98 -7.878 1.987 0.319 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.094 3.086 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.903 2.572 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.707 4.257 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.054 2.900 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.536 1.205 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.057 0.770 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.682 1.422 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.755 3.572 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.909 3.882 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.433 4.866 -3.994 1.00 0.00 H new ATOM 1553 N SER A 99 -5.723 5.436 -0.992 1.00 0.00 N ATOM 1554 CA SER A 99 -5.410 6.794 -0.559 1.00 0.00 C ATOM 1555 C SER A 99 -5.831 7.811 -1.614 1.00 0.00 C ATOM 1556 O SER A 99 -5.873 7.504 -2.805 1.00 0.00 O ATOM 1557 CB SER A 99 -3.912 6.928 -0.274 1.00 0.00 C ATOM 1558 OG SER A 99 -3.627 6.667 1.089 1.00 0.00 O ATOM 0 H SER A 99 -5.130 5.085 -1.744 1.00 0.00 H new ATOM 0 HA SER A 99 -5.967 6.995 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.355 6.235 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.578 7.933 -0.533 1.00 0.00 H new ATOM 0 HG SER A 99 -2.697 6.911 1.281 1.00 0.00 H new