USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 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= -1.57 K(o=-1.6,f=-6.5!) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.0339 K(o=-1.6,f=-2.8) USER MOD Set 1.3: A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.194 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 35 HIS : no HD1:sc= -0.984 X(o=-0.98,f=-0.95) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -173:sc= 0.418 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -171:sc= -3.36! (180deg=-3.93!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) 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 148:sc= -4.03 (180deg=-5.47!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 76 MET CE :methyl -139:sc= -5.26! (180deg=-8.69!) USER MOD Single : A 78 MET CE :methyl 134:sc= -3.62! (180deg=-7.94!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 CYS SG : rot -11:sc= 0.25 USER MOD Single : A 84 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.668) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot -54:sc= -0.124 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.730 9.423 -8.455 1.00 0.00 N ATOM 356 CA GLY A 25 -7.363 9.055 -8.138 1.00 0.00 C ATOM 357 C GLY A 25 -7.262 7.670 -7.530 1.00 0.00 C ATOM 358 O GLY A 25 -7.799 7.417 -6.452 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.759 9.095 -9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.945 9.784 -7.444 1.00 0.00 H new ATOM 362 N ARG A 26 -6.573 6.770 -8.225 1.00 0.00 N ATOM 363 CA ARG A 26 -6.406 5.403 -7.749 1.00 0.00 C ATOM 364 C ARG A 26 -4.994 5.182 -7.211 1.00 0.00 C ATOM 365 O ARG A 26 -4.043 5.034 -7.978 1.00 0.00 O ATOM 366 CB ARG A 26 -6.695 4.409 -8.876 1.00 0.00 C ATOM 367 CG ARG A 26 -8.119 4.482 -9.401 1.00 0.00 C ATOM 368 CD ARG A 26 -8.154 4.450 -10.921 1.00 0.00 C ATOM 369 NE ARG A 26 -8.198 5.791 -11.496 1.00 0.00 N ATOM 370 CZ ARG A 26 -8.114 6.035 -12.800 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.982 5.033 -13.658 1.00 0.00 N ATOM 372 NH2 ARG A 26 -8.162 7.283 -13.246 1.00 0.00 N ATOM 0 H ARG A 26 -6.122 6.964 -9.119 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.115 5.239 -6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.004 4.594 -9.698 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.500 3.398 -8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.697 3.647 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.593 5.396 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.274 3.925 -11.293 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.026 3.885 -11.252 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.299 6.584 -10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.945 4.072 -13.318 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.918 5.223 -14.658 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.263 8.056 -12.588 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.097 7.470 -14.247 1.00 0.00 H new ATOM 386 N VAL A 27 -4.867 5.162 -5.888 1.00 0.00 N ATOM 387 CA VAL A 27 -3.573 4.959 -5.249 1.00 0.00 C ATOM 388 C VAL A 27 -3.678 3.968 -4.095 1.00 0.00 C ATOM 389 O VAL A 27 -4.395 4.207 -3.122 1.00 0.00 O ATOM 390 CB VAL A 27 -2.994 6.285 -4.720 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.646 6.053 -4.056 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.875 7.301 -5.846 1.00 0.00 C ATOM 0 H VAL A 27 -5.644 5.284 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.905 4.556 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.677 6.685 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.253 7.001 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.766 5.362 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.951 5.629 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.464 8.232 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.215 6.910 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.861 7.490 -6.271 1.00 0.00 H new ATOM 402 N ILE A 28 -2.962 2.856 -4.210 1.00 0.00 N ATOM 403 CA ILE A 28 -2.974 1.828 -3.176 1.00 0.00 C ATOM 404 C ILE A 28 -1.959 2.138 -2.082 1.00 0.00 C ATOM 405 O ILE A 28 -0.756 1.951 -2.265 1.00 0.00 O ATOM 406 CB ILE A 28 -2.673 0.436 -3.761 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.763 0.029 -4.754 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.554 -0.592 -2.646 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.064 -0.369 -4.094 1.00 0.00 C ATOM 0 H ILE A 28 -2.365 2.643 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.976 1.823 -2.748 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.722 0.479 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.950 0.859 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.401 -0.804 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.341 -1.571 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.745 -0.307 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.490 -0.635 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.790 -0.645 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.892 -1.219 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.449 0.470 -3.514 1.00 0.00 H new ATOM 421 N HIS A 29 -2.452 2.612 -0.941 1.00 0.00 N ATOM 422 CA HIS A 29 -1.588 2.945 0.185 1.00 0.00 C ATOM 423 C HIS A 29 -1.233 1.697 0.986 1.00 0.00 C ATOM 424 O HIS A 29 -2.113 1.008 1.505 1.00 0.00 O ATOM 425 CB HIS A 29 -2.270 3.971 1.092 1.00 0.00 C ATOM 426 CG HIS A 29 -1.336 4.626 2.063 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.514 5.913 2.526 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.213 4.165 2.660 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.538 6.214 3.365 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.264 5.170 3.464 1.00 0.00 N ATOM 0 H HIS A 29 -3.445 2.774 -0.773 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.668 3.375 -0.210 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.735 4.739 0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.070 3.480 1.645 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.279 6.535 2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.227 3.187 2.528 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.417 7.155 3.882 1.00 0.00 H new ATOM 438 N LEU A 30 0.060 1.409 1.082 1.00 0.00 N ATOM 439 CA LEU A 30 0.531 0.242 1.820 1.00 0.00 C ATOM 440 C LEU A 30 1.362 0.660 3.028 1.00 0.00 C ATOM 441 O LEU A 30 2.480 1.155 2.885 1.00 0.00 O ATOM 442 CB LEU A 30 1.360 -0.663 0.906 1.00 0.00 C ATOM 443 CG LEU A 30 0.581 -1.432 -0.162 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.529 -2.010 -1.201 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.251 -2.535 0.476 1.00 0.00 C ATOM 0 H LEU A 30 0.801 1.967 0.658 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.340 -0.309 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.113 -0.052 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.893 -1.383 1.527 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.094 -0.738 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.957 -2.554 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.081 -1.201 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.229 -2.690 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.799 -3.072 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.406 -3.228 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.957 -2.097 1.182 1.00 0.00 H new ATOM 457 N SER A 31 0.809 0.456 4.220 1.00 0.00 N ATOM 458 CA SER A 31 1.498 0.814 5.454 1.00 0.00 C ATOM 459 C SER A 31 2.043 -0.428 6.152 1.00 0.00 C ATOM 460 O SER A 31 1.658 -1.552 5.832 1.00 0.00 O ATOM 461 CB SER A 31 0.552 1.566 6.393 1.00 0.00 C ATOM 462 OG SER A 31 -0.579 0.777 6.716 1.00 0.00 O ATOM 0 H SER A 31 -0.114 0.045 4.357 1.00 0.00 H new ATOM 0 HA SER A 31 2.335 1.463 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.082 1.839 7.306 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.229 2.494 5.922 1.00 0.00 H new ATOM 0 HG SER A 31 -1.167 1.279 7.318 1.00 0.00 H new ATOM 468 N ASN A 32 2.942 -0.216 7.108 1.00 0.00 N ATOM 469 CA ASN A 32 3.541 -1.319 7.852 1.00 0.00 C ATOM 470 C ASN A 32 4.148 -2.348 6.903 1.00 0.00 C ATOM 471 O ASN A 32 3.772 -3.521 6.919 1.00 0.00 O ATOM 472 CB ASN A 32 2.494 -1.987 8.745 1.00 0.00 C ATOM 473 CG ASN A 32 3.102 -2.584 10.000 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.751 -1.888 10.781 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.894 -3.881 10.198 1.00 0.00 N ATOM 0 H ASN A 32 3.272 0.708 7.386 1.00 0.00 H new ATOM 0 HA ASN A 32 4.336 -0.914 8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.737 -1.254 9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.986 -2.770 8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.279 -4.339 11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.350 -4.419 9.524 1.00 0.00 H new ATOM 482 N LEU A 33 5.089 -1.903 6.079 1.00 0.00 N ATOM 483 CA LEU A 33 5.750 -2.785 5.123 1.00 0.00 C ATOM 484 C LEU A 33 6.995 -3.418 5.737 1.00 0.00 C ATOM 485 O LEU A 33 7.596 -2.885 6.671 1.00 0.00 O ATOM 486 CB LEU A 33 6.129 -2.009 3.860 1.00 0.00 C ATOM 487 CG LEU A 33 4.985 -1.704 2.891 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.455 -0.769 1.789 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.429 -2.993 2.302 1.00 0.00 C ATOM 0 H LEU A 33 5.412 -0.936 6.053 1.00 0.00 H new ATOM 0 HA LEU A 33 5.053 -3.580 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.585 -1.066 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.891 -2.575 3.325 1.00 0.00 H new ATOM 0 HG LEU A 33 4.187 -1.207 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.628 -0.563 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.804 0.165 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.270 -1.237 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.616 -2.758 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.219 -3.518 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.054 -3.628 3.105 1.00 0.00 H new ATOM 501 N PRO A 34 7.394 -4.580 5.200 1.00 0.00 N ATOM 502 CA PRO A 34 8.573 -5.310 5.678 1.00 0.00 C ATOM 503 C PRO A 34 9.875 -4.594 5.337 1.00 0.00 C ATOM 504 O PRO A 34 9.864 -3.462 4.851 1.00 0.00 O ATOM 505 CB PRO A 34 8.486 -6.646 4.936 1.00 0.00 C ATOM 506 CG PRO A 34 7.706 -6.346 3.704 1.00 0.00 C ATOM 507 CD PRO A 34 6.725 -5.273 4.086 1.00 0.00 C ATOM 0 HA PRO A 34 8.580 -5.409 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.477 -7.029 4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.991 -7.404 5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.360 -6.008 2.900 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.190 -7.236 3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.525 -4.597 3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.767 -5.694 4.392 1.00 0.00 H new ATOM 515 N HIS A 35 10.996 -5.259 5.596 1.00 0.00 N ATOM 516 CA HIS A 35 12.307 -4.686 5.315 1.00 0.00 C ATOM 517 C HIS A 35 13.389 -5.760 5.355 1.00 0.00 C ATOM 518 O HIS A 35 14.335 -5.674 6.139 1.00 0.00 O ATOM 519 CB HIS A 35 12.631 -3.581 6.321 1.00 0.00 C ATOM 520 CG HIS A 35 12.709 -4.066 7.736 1.00 0.00 C ATOM 521 ND1 HIS A 35 13.872 -4.046 8.476 1.00 0.00 N ATOM 522 CD2 HIS A 35 11.758 -4.584 8.550 1.00 0.00 C ATOM 523 CE1 HIS A 35 13.635 -4.532 9.681 1.00 0.00 C ATOM 524 NE2 HIS A 35 12.359 -4.866 9.752 1.00 0.00 N ATOM 0 H HIS A 35 11.023 -6.195 6.000 1.00 0.00 H new ATOM 0 HA HIS A 35 12.282 -4.258 4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.581 -3.121 6.050 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.870 -2.804 6.253 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.720 -4.745 8.300 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.361 -4.638 10.473 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.896 -5.268 10.567 1.00 0.00 H new ATOM 532 N SER A 36 13.245 -6.771 4.504 1.00 0.00 N ATOM 533 CA SER A 36 14.207 -7.865 4.446 1.00 0.00 C ATOM 534 C SER A 36 15.080 -7.755 3.199 1.00 0.00 C ATOM 535 O SER A 36 15.603 -8.752 2.704 1.00 0.00 O ATOM 536 CB SER A 36 13.483 -9.212 4.458 1.00 0.00 C ATOM 537 OG SER A 36 13.895 -10.003 5.559 1.00 0.00 O ATOM 0 H SER A 36 12.471 -6.855 3.845 1.00 0.00 H new ATOM 0 HA SER A 36 14.848 -7.798 5.325 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.406 -9.049 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.684 -9.745 3.528 1.00 0.00 H new ATOM 0 HG SER A 36 13.416 -10.858 5.545 1.00 0.00 H new ATOM 543 N GLY A 37 15.231 -6.533 2.696 1.00 0.00 N ATOM 544 CA GLY A 37 16.040 -6.314 1.511 1.00 0.00 C ATOM 545 C GLY A 37 15.399 -6.879 0.259 1.00 0.00 C ATOM 546 O GLY A 37 16.076 -7.476 -0.579 1.00 0.00 O ATOM 0 H GLY A 37 14.808 -5.692 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.205 -5.245 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.019 -6.773 1.653 1.00 0.00 H new ATOM 550 N TYR A 38 14.090 -6.693 0.130 1.00 0.00 N ATOM 551 CA TYR A 38 13.357 -7.193 -1.027 1.00 0.00 C ATOM 552 C TYR A 38 13.337 -6.158 -2.147 1.00 0.00 C ATOM 553 O TYR A 38 13.842 -5.046 -1.989 1.00 0.00 O ATOM 554 CB TYR A 38 11.925 -7.560 -0.631 1.00 0.00 C ATOM 555 CG TYR A 38 11.178 -6.436 0.049 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.480 -5.491 -0.693 1.00 0.00 C ATOM 557 CD2 TYR A 38 11.169 -6.318 1.434 1.00 0.00 C ATOM 558 CE1 TYR A 38 9.796 -4.461 -0.076 1.00 0.00 C ATOM 559 CE2 TYR A 38 10.487 -5.293 2.059 1.00 0.00 C ATOM 560 CZ TYR A 38 9.803 -4.367 1.300 1.00 0.00 C ATOM 561 OH TYR A 38 9.121 -3.343 1.919 1.00 0.00 O ATOM 0 H TYR A 38 13.515 -6.200 0.813 1.00 0.00 H new ATOM 0 HA TYR A 38 13.866 -8.086 -1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.376 -7.862 -1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.951 -8.423 0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.472 -5.563 -1.771 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.705 -7.041 2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.259 -3.734 -0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.489 -5.217 3.136 1.00 0.00 H new ATOM 0 HH TYR A 38 9.318 -3.352 2.879 1.00 0.00 H new ATOM 571 N SER A 39 12.748 -6.531 -3.279 1.00 0.00 N ATOM 572 CA SER A 39 12.664 -5.638 -4.428 1.00 0.00 C ATOM 573 C SER A 39 11.259 -5.060 -4.565 1.00 0.00 C ATOM 574 O SER A 39 10.283 -5.653 -4.103 1.00 0.00 O ATOM 575 CB SER A 39 13.048 -6.381 -5.708 1.00 0.00 C ATOM 576 OG SER A 39 14.370 -6.062 -6.106 1.00 0.00 O ATOM 0 H SER A 39 12.322 -7.446 -3.425 1.00 0.00 H new ATOM 0 HA SER A 39 13.363 -4.817 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.962 -7.456 -5.548 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.352 -6.121 -6.506 1.00 0.00 H new ATOM 0 HG SER A 39 14.592 -6.551 -6.926 1.00 0.00 H new ATOM 582 N ASP A 40 11.163 -3.897 -5.201 1.00 0.00 N ATOM 583 CA ASP A 40 9.878 -3.238 -5.400 1.00 0.00 C ATOM 584 C ASP A 40 8.811 -4.242 -5.823 1.00 0.00 C ATOM 585 O ASP A 40 7.719 -4.279 -5.257 1.00 0.00 O ATOM 586 CB ASP A 40 10.004 -2.134 -6.452 1.00 0.00 C ATOM 587 CG ASP A 40 10.533 -2.654 -7.774 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.756 -2.883 -7.876 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.723 -2.830 -8.709 1.00 0.00 O ATOM 0 H ASP A 40 11.960 -3.392 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 40 9.576 -2.793 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.029 -1.673 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.668 -1.354 -6.079 1.00 0.00 H new ATOM 594 N SER A 41 9.135 -5.055 -6.825 1.00 0.00 N ATOM 595 CA SER A 41 8.203 -6.056 -7.329 1.00 0.00 C ATOM 596 C SER A 41 7.454 -6.726 -6.180 1.00 0.00 C ATOM 597 O SER A 41 6.227 -6.817 -6.195 1.00 0.00 O ATOM 598 CB SER A 41 8.949 -7.110 -8.149 1.00 0.00 C ATOM 599 OG SER A 41 8.565 -7.060 -9.512 1.00 0.00 O ATOM 0 H SER A 41 10.036 -5.039 -7.303 1.00 0.00 H new ATOM 0 HA SER A 41 7.478 -5.553 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.024 -6.948 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.743 -8.102 -7.746 1.00 0.00 H new ATOM 0 HG SER A 41 9.057 -7.742 -10.016 1.00 0.00 H new ATOM 605 N ALA A 42 8.202 -7.194 -5.187 1.00 0.00 N ATOM 606 CA ALA A 42 7.610 -7.854 -4.030 1.00 0.00 C ATOM 607 C ALA A 42 6.432 -7.054 -3.485 1.00 0.00 C ATOM 608 O ALA A 42 5.420 -7.622 -3.073 1.00 0.00 O ATOM 609 CB ALA A 42 8.658 -8.061 -2.946 1.00 0.00 C ATOM 0 H ALA A 42 9.220 -7.128 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 42 7.237 -8.827 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.202 -8.555 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.466 -8.681 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.058 -7.095 -2.638 1.00 0.00 H new ATOM 615 N VAL A 43 6.570 -5.733 -3.484 1.00 0.00 N ATOM 616 CA VAL A 43 5.517 -4.854 -2.990 1.00 0.00 C ATOM 617 C VAL A 43 4.377 -4.742 -3.995 1.00 0.00 C ATOM 618 O VAL A 43 3.236 -4.459 -3.629 1.00 0.00 O ATOM 619 CB VAL A 43 6.059 -3.445 -2.684 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.915 -2.450 -2.556 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.906 -3.463 -1.420 1.00 0.00 C ATOM 0 H VAL A 43 7.401 -5.247 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 43 5.141 -5.298 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 43 6.692 -3.129 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.316 -1.460 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.354 -2.418 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.254 -2.758 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.281 -2.459 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.298 -3.799 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.746 -4.144 -1.555 1.00 0.00 H new ATOM 631 N LEU A 44 4.693 -4.966 -5.266 1.00 0.00 N ATOM 632 CA LEU A 44 3.696 -4.890 -6.328 1.00 0.00 C ATOM 633 C LEU A 44 3.062 -6.255 -6.577 1.00 0.00 C ATOM 634 O LEU A 44 2.054 -6.365 -7.275 1.00 0.00 O ATOM 635 CB LEU A 44 4.332 -4.367 -7.617 1.00 0.00 C ATOM 636 CG LEU A 44 5.442 -3.330 -7.444 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.234 -3.175 -8.734 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.861 -1.993 -7.009 1.00 0.00 C ATOM 0 H LEU A 44 5.632 -5.202 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 44 2.915 -4.199 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.737 -5.215 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.547 -3.930 -8.235 1.00 0.00 H new ATOM 0 HG LEU A 44 6.120 -3.679 -6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.020 -2.433 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.683 -4.131 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.568 -2.850 -9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.666 -1.268 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.160 -1.638 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.340 -2.114 -6.059 1.00 0.00 H new ATOM 650 N LYS A 45 3.658 -7.293 -6.001 1.00 0.00 N ATOM 651 CA LYS A 45 3.151 -8.651 -6.157 1.00 0.00 C ATOM 652 C LYS A 45 1.724 -8.763 -5.630 1.00 0.00 C ATOM 653 O LYS A 45 0.970 -9.648 -6.036 1.00 0.00 O ATOM 654 CB LYS A 45 4.056 -9.642 -5.422 1.00 0.00 C ATOM 655 CG LYS A 45 5.061 -10.335 -6.327 1.00 0.00 C ATOM 656 CD LYS A 45 5.989 -11.242 -5.537 1.00 0.00 C ATOM 657 CE LYS A 45 5.585 -12.703 -5.665 1.00 0.00 C ATOM 658 NZ LYS A 45 4.854 -13.184 -4.460 1.00 0.00 N ATOM 0 H LYS A 45 4.494 -7.220 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 45 3.147 -8.891 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.593 -9.115 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.436 -10.396 -4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.532 -10.920 -7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.648 -9.587 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.012 -11.114 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.976 -10.951 -4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.956 -12.830 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.475 -13.314 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.596 -14.184 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.463 -13.087 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.991 -12.618 -4.328 1.00 0.00 H new ATOM 672 N LEU A 46 1.359 -7.860 -4.728 1.00 0.00 N ATOM 673 CA LEU A 46 0.020 -7.856 -4.147 1.00 0.00 C ATOM 674 C LEU A 46 -0.948 -7.061 -5.017 1.00 0.00 C ATOM 675 O LEU A 46 -2.142 -6.989 -4.726 1.00 0.00 O ATOM 676 CB LEU A 46 0.058 -7.267 -2.736 1.00 0.00 C ATOM 677 CG LEU A 46 1.236 -6.344 -2.424 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.899 -5.421 -1.263 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.484 -7.159 -2.114 1.00 0.00 C ATOM 0 H LEU A 46 1.971 -7.121 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.331 -8.887 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.866 -6.712 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.068 -8.090 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 46 1.435 -5.731 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.750 -4.772 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.032 -4.812 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.673 -6.017 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.313 -6.486 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.296 -7.798 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.738 -7.778 -2.975 1.00 0.00 H new ATOM 691 N ALA A 47 -0.426 -6.469 -6.086 1.00 0.00 N ATOM 692 CA ALA A 47 -1.246 -5.684 -7.001 1.00 0.00 C ATOM 693 C ALA A 47 -1.080 -6.168 -8.438 1.00 0.00 C ATOM 694 O ALA A 47 -1.703 -5.636 -9.356 1.00 0.00 O ATOM 695 CB ALA A 47 -0.890 -4.209 -6.894 1.00 0.00 C ATOM 0 H ALA A 47 0.561 -6.518 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.291 -5.816 -6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.510 -3.634 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.066 -3.865 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.161 -4.069 -7.148 1.00 0.00 H new ATOM 701 N GLU A 48 -0.237 -7.177 -8.625 1.00 0.00 N ATOM 702 CA GLU A 48 0.011 -7.730 -9.951 1.00 0.00 C ATOM 703 C GLU A 48 -1.248 -8.385 -10.511 1.00 0.00 C ATOM 704 O GLU A 48 -1.777 -7.986 -11.549 1.00 0.00 O ATOM 705 CB GLU A 48 1.150 -8.751 -9.899 1.00 0.00 C ATOM 706 CG GLU A 48 2.480 -8.203 -10.387 1.00 0.00 C ATOM 707 CD GLU A 48 3.227 -9.185 -11.269 1.00 0.00 C ATOM 708 OE1 GLU A 48 3.147 -10.402 -11.002 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.890 -8.735 -12.227 1.00 0.00 O ATOM 0 H GLU A 48 0.286 -7.629 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 48 0.298 -6.910 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.265 -9.102 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.879 -9.616 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.307 -7.281 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.100 -7.947 -9.528 1.00 0.00 H new ATOM 716 N PRO A 49 -1.741 -9.416 -9.808 1.00 0.00 N ATOM 717 CA PRO A 49 -2.943 -10.149 -10.216 1.00 0.00 C ATOM 718 C PRO A 49 -4.210 -9.314 -10.065 1.00 0.00 C ATOM 719 O PRO A 49 -5.314 -9.790 -10.331 1.00 0.00 O ATOM 720 CB PRO A 49 -2.973 -11.343 -9.258 1.00 0.00 C ATOM 721 CG PRO A 49 -2.224 -10.882 -8.056 1.00 0.00 C ATOM 722 CD PRO A 49 -1.162 -9.945 -8.563 1.00 0.00 C ATOM 0 HA PRO A 49 -2.911 -10.430 -11.269 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.996 -11.622 -9.004 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.505 -12.220 -9.704 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.887 -10.377 -7.353 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.780 -11.725 -7.526 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.953 -9.150 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.222 -10.465 -8.746 1.00 0.00 H new ATOM 730 N TYR A 50 -4.045 -8.068 -9.637 1.00 0.00 N ATOM 731 CA TYR A 50 -5.175 -7.167 -9.449 1.00 0.00 C ATOM 732 C TYR A 50 -5.338 -6.239 -10.648 1.00 0.00 C ATOM 733 O TYR A 50 -6.455 -5.914 -11.050 1.00 0.00 O ATOM 734 CB TYR A 50 -4.990 -6.342 -8.174 1.00 0.00 C ATOM 735 CG TYR A 50 -5.097 -7.157 -6.905 1.00 0.00 C ATOM 736 CD1 TYR A 50 -3.997 -7.833 -6.394 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.300 -7.250 -6.216 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.090 -8.579 -5.235 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.403 -7.994 -5.055 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.296 -8.656 -4.569 1.00 0.00 C ATOM 741 OH TYR A 50 -5.392 -9.397 -3.414 1.00 0.00 O ATOM 0 H TYR A 50 -3.138 -7.658 -9.413 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.077 -7.772 -9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.014 -5.857 -8.203 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.739 -5.550 -8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.051 -7.774 -6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.169 -6.732 -6.594 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.224 -9.099 -4.853 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.346 -8.056 -4.532 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.308 -9.347 -3.069 1.00 0.00 H new ATOM 751 N GLY A 51 -4.214 -5.815 -11.218 1.00 0.00 N ATOM 752 CA GLY A 51 -4.252 -4.929 -12.367 1.00 0.00 C ATOM 753 C GLY A 51 -2.871 -4.480 -12.799 1.00 0.00 C ATOM 754 O GLY A 51 -1.888 -4.693 -12.087 1.00 0.00 O ATOM 0 H GLY A 51 -3.277 -6.069 -10.904 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.742 -5.437 -13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.857 -4.054 -12.127 1.00 0.00 H new ATOM 758 N LYS A 52 -2.791 -3.857 -13.970 1.00 0.00 N ATOM 759 CA LYS A 52 -1.520 -3.377 -14.498 1.00 0.00 C ATOM 760 C LYS A 52 -0.987 -2.218 -13.661 1.00 0.00 C ATOM 761 O LYS A 52 -1.632 -1.177 -13.544 1.00 0.00 O ATOM 762 CB LYS A 52 -1.683 -2.935 -15.955 1.00 0.00 C ATOM 763 CG LYS A 52 -1.636 -4.084 -16.947 1.00 0.00 C ATOM 764 CD LYS A 52 -2.950 -4.847 -16.981 1.00 0.00 C ATOM 765 CE LYS A 52 -3.450 -5.033 -18.405 1.00 0.00 C ATOM 766 NZ LYS A 52 -3.873 -6.437 -18.664 1.00 0.00 N ATOM 0 H LYS A 52 -3.593 -3.673 -14.572 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.803 -4.197 -14.452 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.633 -2.411 -16.063 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.896 -2.222 -16.200 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.413 -3.698 -17.942 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.827 -4.763 -16.680 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.818 -5.821 -16.510 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.699 -4.310 -16.399 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.289 -4.361 -18.586 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.663 -4.756 -19.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.207 -6.523 -19.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.066 -7.076 -18.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.642 -6.694 -18.012 1.00 0.00 H new ATOM 780 N ILE A 53 0.195 -2.407 -13.084 1.00 0.00 N ATOM 781 CA ILE A 53 0.816 -1.376 -12.260 1.00 0.00 C ATOM 782 C ILE A 53 1.297 -0.208 -13.114 1.00 0.00 C ATOM 783 O ILE A 53 2.414 -0.220 -13.631 1.00 0.00 O ATOM 784 CB ILE A 53 2.005 -1.936 -11.458 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.525 -2.996 -10.465 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.731 -0.813 -10.733 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.384 -4.241 -10.448 1.00 0.00 C ATOM 0 H ILE A 53 0.742 -3.264 -13.172 1.00 0.00 H new ATOM 0 HA ILE A 53 0.054 -1.025 -11.564 1.00 0.00 H new ATOM 0 HB ILE A 53 2.703 -2.405 -12.152 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.507 -2.563 -9.465 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.500 -3.275 -10.711 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.569 -1.225 -10.171 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.102 -0.091 -11.460 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.043 -0.318 -10.048 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.985 -4.949 -9.721 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.383 -4.698 -11.438 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.405 -3.975 -10.173 1.00 0.00 H new ATOM 799 N LYS A 54 0.447 0.804 -13.254 1.00 0.00 N ATOM 800 CA LYS A 54 0.785 1.984 -14.041 1.00 0.00 C ATOM 801 C LYS A 54 1.892 2.789 -13.367 1.00 0.00 C ATOM 802 O LYS A 54 2.715 3.411 -14.036 1.00 0.00 O ATOM 803 CB LYS A 54 -0.452 2.863 -14.237 1.00 0.00 C ATOM 804 CG LYS A 54 -0.884 2.990 -15.688 1.00 0.00 C ATOM 805 CD LYS A 54 -1.685 1.781 -16.139 1.00 0.00 C ATOM 806 CE LYS A 54 -1.653 1.623 -17.651 1.00 0.00 C ATOM 807 NZ LYS A 54 -1.005 0.347 -18.063 1.00 0.00 N ATOM 0 H LYS A 54 -0.481 0.830 -12.832 1.00 0.00 H new ATOM 0 HA LYS A 54 1.144 1.650 -15.014 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.277 2.450 -13.656 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.248 3.857 -13.839 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.484 3.892 -15.812 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.004 3.102 -16.322 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.284 0.882 -15.670 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.717 1.882 -15.805 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.670 1.656 -18.041 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.115 2.462 -18.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.003 0.278 -19.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.026 0.326 -17.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.533 -0.455 -17.663 1.00 0.00 H new ATOM 821 N ASN A 55 1.905 2.771 -12.038 1.00 0.00 N ATOM 822 CA ASN A 55 2.911 3.499 -11.274 1.00 0.00 C ATOM 823 C ASN A 55 2.994 2.973 -9.844 1.00 0.00 C ATOM 824 O ASN A 55 1.993 2.546 -9.269 1.00 0.00 O ATOM 825 CB ASN A 55 2.589 4.994 -11.261 1.00 0.00 C ATOM 826 CG ASN A 55 3.773 5.844 -11.682 1.00 0.00 C ATOM 827 OD1 ASN A 55 3.976 6.103 -12.869 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.563 6.283 -10.709 1.00 0.00 N ATOM 0 H ASN A 55 1.230 2.260 -11.468 1.00 0.00 H new ATOM 0 HA ASN A 55 3.877 3.347 -11.755 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.750 5.188 -11.929 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.273 5.286 -10.260 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.375 6.859 -10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.358 6.045 -9.739 1.00 0.00 H new ATOM 835 N TYR A 56 4.194 3.007 -9.275 1.00 0.00 N ATOM 836 CA TYR A 56 4.408 2.534 -7.913 1.00 0.00 C ATOM 837 C TYR A 56 5.410 3.420 -7.179 1.00 0.00 C ATOM 838 O TYR A 56 6.178 4.154 -7.801 1.00 0.00 O ATOM 839 CB TYR A 56 4.905 1.087 -7.927 1.00 0.00 C ATOM 840 CG TYR A 56 6.383 0.956 -8.219 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.857 0.971 -9.525 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.304 0.820 -7.188 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.206 0.850 -9.795 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.656 0.702 -7.449 1.00 0.00 C ATOM 845 CZ TYR A 56 9.102 0.717 -8.754 1.00 0.00 C ATOM 846 OH TYR A 56 10.447 0.599 -9.020 1.00 0.00 O ATOM 0 H TYR A 56 5.033 3.357 -9.736 1.00 0.00 H new ATOM 0 HA TYR A 56 3.455 2.580 -7.385 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.692 0.630 -6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.345 0.527 -8.675 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.159 1.079 -10.342 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.958 0.806 -6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.558 0.859 -10.816 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.359 0.599 -6.636 1.00 0.00 H new ATOM 0 HH TYR A 56 10.941 0.515 -8.178 1.00 0.00 H new ATOM 856 N ILE A 57 5.395 3.345 -5.853 1.00 0.00 N ATOM 857 CA ILE A 57 6.302 4.138 -5.032 1.00 0.00 C ATOM 858 C ILE A 57 6.795 3.342 -3.830 1.00 0.00 C ATOM 859 O ILE A 57 6.003 2.907 -2.992 1.00 0.00 O ATOM 860 CB ILE A 57 5.628 5.431 -4.537 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.516 6.444 -5.677 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.407 6.022 -3.370 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.746 7.310 -5.838 1.00 0.00 C ATOM 0 H ILE A 57 4.764 2.743 -5.324 1.00 0.00 H new ATOM 0 HA ILE A 57 7.151 4.399 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 57 4.623 5.189 -4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.332 5.911 -6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.651 7.084 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.918 6.935 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.438 5.302 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.423 6.252 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.596 8.005 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.919 7.871 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.610 6.679 -6.046 1.00 0.00 H new ATOM 875 N LEU A 58 8.107 3.155 -3.748 1.00 0.00 N ATOM 876 CA LEU A 58 8.708 2.412 -2.645 1.00 0.00 C ATOM 877 C LEU A 58 9.497 3.341 -1.728 1.00 0.00 C ATOM 878 O LEU A 58 10.648 3.672 -2.006 1.00 0.00 O ATOM 879 CB LEU A 58 9.624 1.311 -3.185 1.00 0.00 C ATOM 880 CG LEU A 58 9.216 -0.124 -2.851 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.211 -0.342 -1.346 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.848 -0.441 -3.441 1.00 0.00 C ATOM 0 H LEU A 58 8.776 3.508 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 58 7.905 1.957 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.677 1.409 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.629 1.481 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 58 9.947 -0.801 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.918 -1.369 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.209 -0.157 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.502 0.344 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.574 -1.466 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.106 0.243 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.884 -0.327 -4.524 1.00 0.00 H new ATOM 894 N MET A 59 8.868 3.756 -0.633 1.00 0.00 N ATOM 895 CA MET A 59 9.514 4.644 0.327 1.00 0.00 C ATOM 896 C MET A 59 10.036 3.861 1.527 1.00 0.00 C ATOM 897 O MET A 59 9.299 3.097 2.149 1.00 0.00 O ATOM 898 CB MET A 59 8.534 5.723 0.795 1.00 0.00 C ATOM 899 CG MET A 59 7.949 6.546 -0.342 1.00 0.00 C ATOM 900 SD MET A 59 6.995 7.960 0.245 1.00 0.00 S ATOM 901 CE MET A 59 6.032 8.346 -1.215 1.00 0.00 C ATOM 0 H MET A 59 7.913 3.492 -0.389 1.00 0.00 H new ATOM 0 HA MET A 59 10.360 5.121 -0.169 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.721 5.250 1.346 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.045 6.390 1.490 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.757 6.898 -0.984 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.310 5.910 -0.954 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.511 9.292 -1.067 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.694 8.428 -2.077 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.304 7.554 -1.391 1.00 0.00 H new ATOM 911 N ARG A 60 11.312 4.057 1.845 1.00 0.00 N ATOM 912 CA ARG A 60 11.932 3.367 2.970 1.00 0.00 C ATOM 913 C ARG A 60 11.843 4.208 4.239 1.00 0.00 C ATOM 914 O ARG A 60 11.905 3.681 5.350 1.00 0.00 O ATOM 915 CB ARG A 60 13.396 3.050 2.656 1.00 0.00 C ATOM 916 CG ARG A 60 14.044 2.109 3.659 1.00 0.00 C ATOM 917 CD ARG A 60 14.814 2.875 4.724 1.00 0.00 C ATOM 918 NE ARG A 60 15.545 1.981 5.618 1.00 0.00 N ATOM 919 CZ ARG A 60 16.599 2.360 6.333 1.00 0.00 C ATOM 920 NH1 ARG A 60 17.041 3.607 6.259 1.00 0.00 N ATOM 921 NH2 ARG A 60 17.212 1.489 7.124 1.00 0.00 N ATOM 0 H ARG A 60 11.936 4.687 1.340 1.00 0.00 H new ATOM 0 HA ARG A 60 11.392 2.434 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.458 2.607 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.962 3.981 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.277 1.496 4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.719 1.429 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.513 3.560 4.244 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.121 3.483 5.306 1.00 0.00 H new ATOM 0 HE ARG A 60 15.230 1.014 5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 60 16.572 4.279 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 60 17.850 3.895 6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 60 16.874 0.528 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 60 18.021 1.780 7.673 1.00 0.00 H new ATOM 935 N MET A 61 11.699 5.518 4.067 1.00 0.00 N ATOM 936 CA MET A 61 11.601 6.431 5.199 1.00 0.00 C ATOM 937 C MET A 61 10.673 5.870 6.273 1.00 0.00 C ATOM 938 O MET A 61 11.124 5.440 7.335 1.00 0.00 O ATOM 939 CB MET A 61 11.095 7.799 4.736 1.00 0.00 C ATOM 940 CG MET A 61 12.195 8.704 4.203 1.00 0.00 C ATOM 941 SD MET A 61 13.332 9.251 5.491 1.00 0.00 S ATOM 942 CE MET A 61 12.513 10.740 6.055 1.00 0.00 C ATOM 0 H MET A 61 11.648 5.971 3.154 1.00 0.00 H new ATOM 0 HA MET A 61 12.597 6.545 5.628 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.345 7.656 3.959 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.599 8.296 5.570 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.754 8.174 3.432 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.744 9.575 3.728 1.00 0.00 H new ATOM 0 HE1 MET A 61 13.097 11.196 6.855 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.423 11.442 5.226 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.520 10.490 6.428 1.00 0.00 H new ATOM 952 N LYS A 62 9.376 5.876 5.988 1.00 0.00 N ATOM 953 CA LYS A 62 8.383 5.367 6.927 1.00 0.00 C ATOM 954 C LYS A 62 7.850 4.012 6.474 1.00 0.00 C ATOM 955 O LYS A 62 6.667 3.712 6.640 1.00 0.00 O ATOM 956 CB LYS A 62 7.228 6.361 7.068 1.00 0.00 C ATOM 957 CG LYS A 62 7.513 7.493 8.039 1.00 0.00 C ATOM 958 CD LYS A 62 7.388 8.850 7.366 1.00 0.00 C ATOM 959 CE LYS A 62 7.365 9.977 8.387 1.00 0.00 C ATOM 960 NZ LYS A 62 6.601 11.157 7.892 1.00 0.00 N ATOM 0 H LYS A 62 8.987 6.228 5.113 1.00 0.00 H new ATOM 0 HA LYS A 62 8.866 5.241 7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.001 6.782 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.338 5.826 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.820 7.437 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.517 7.379 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.223 8.996 6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.476 8.879 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.919 9.618 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.387 10.277 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.608 11.904 8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.042 11.515 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.619 10.877 7.694 1.00 0.00 H new ATOM 974 N SER A 63 8.730 3.196 5.903 1.00 0.00 N ATOM 975 CA SER A 63 8.348 1.873 5.424 1.00 0.00 C ATOM 976 C SER A 63 6.980 1.914 4.749 1.00 0.00 C ATOM 977 O SER A 63 6.120 1.075 5.013 1.00 0.00 O ATOM 978 CB SER A 63 8.326 0.875 6.583 1.00 0.00 C ATOM 979 OG SER A 63 9.621 0.358 6.835 1.00 0.00 O ATOM 0 H SER A 63 9.713 3.428 5.761 1.00 0.00 H new ATOM 0 HA SER A 63 9.087 1.552 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.945 1.363 7.480 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.644 0.058 6.350 1.00 0.00 H new ATOM 0 HG SER A 63 9.581 -0.276 7.581 1.00 0.00 H new ATOM 985 N GLN A 64 6.787 2.898 3.876 1.00 0.00 N ATOM 986 CA GLN A 64 5.526 3.051 3.162 1.00 0.00 C ATOM 987 C GLN A 64 5.726 2.886 1.659 1.00 0.00 C ATOM 988 O GLN A 64 6.826 3.082 1.146 1.00 0.00 O ATOM 989 CB GLN A 64 4.909 4.419 3.461 1.00 0.00 C ATOM 990 CG GLN A 64 4.422 4.568 4.893 1.00 0.00 C ATOM 991 CD GLN A 64 3.146 5.380 4.995 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.880 6.246 4.161 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.348 5.103 6.018 1.00 0.00 N ATOM 0 H GLN A 64 7.489 3.601 3.647 1.00 0.00 H new ATOM 0 HA GLN A 64 4.846 2.271 3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.647 5.194 3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.073 4.587 2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.254 3.579 5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.200 5.045 5.489 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.608 4.377 6.686 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.474 5.616 6.137 1.00 0.00 H new ATOM 1002 N ALA A 65 4.655 2.526 0.961 1.00 0.00 N ATOM 1003 CA ALA A 65 4.713 2.337 -0.484 1.00 0.00 C ATOM 1004 C ALA A 65 3.332 2.485 -1.113 1.00 0.00 C ATOM 1005 O ALA A 65 2.325 2.083 -0.527 1.00 0.00 O ATOM 1006 CB ALA A 65 5.303 0.974 -0.814 1.00 0.00 C ATOM 0 H ALA A 65 3.736 2.359 1.372 1.00 0.00 H new ATOM 0 HA ALA A 65 5.358 3.110 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.340 0.846 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.311 0.905 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.681 0.193 -0.378 1.00 0.00 H new ATOM 1012 N PHE A 66 3.290 3.064 -2.308 1.00 0.00 N ATOM 1013 CA PHE A 66 2.031 3.266 -3.016 1.00 0.00 C ATOM 1014 C PHE A 66 2.028 2.516 -4.345 1.00 0.00 C ATOM 1015 O PHE A 66 3.079 2.293 -4.946 1.00 0.00 O ATOM 1016 CB PHE A 66 1.791 4.757 -3.258 1.00 0.00 C ATOM 1017 CG PHE A 66 1.687 5.561 -1.993 1.00 0.00 C ATOM 1018 CD1 PHE A 66 0.488 5.639 -1.304 1.00 0.00 C ATOM 1019 CD2 PHE A 66 2.788 6.238 -1.494 1.00 0.00 C ATOM 1020 CE1 PHE A 66 0.389 6.378 -0.140 1.00 0.00 C ATOM 1021 CE2 PHE A 66 2.695 6.977 -0.331 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.493 7.049 0.348 1.00 0.00 C ATOM 0 H PHE A 66 4.113 3.402 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 66 1.226 2.872 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.604 5.154 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.874 4.880 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.379 5.117 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.730 6.187 -2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.552 6.431 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.561 7.499 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.418 7.628 1.257 1.00 0.00 H new ATOM 1032 N ILE A 67 0.839 2.131 -4.797 1.00 0.00 N ATOM 1033 CA ILE A 67 0.699 1.408 -6.055 1.00 0.00 C ATOM 1034 C ILE A 67 -0.576 1.817 -6.786 1.00 0.00 C ATOM 1035 O ILE A 67 -1.677 1.433 -6.393 1.00 0.00 O ATOM 1036 CB ILE A 67 0.681 -0.116 -5.829 1.00 0.00 C ATOM 1037 CG1 ILE A 67 1.999 -0.576 -5.200 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.432 -0.843 -7.142 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.980 -2.018 -4.745 1.00 0.00 C ATOM 0 H ILE A 67 -0.040 2.308 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 67 1.564 1.667 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.131 -0.357 -5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.804 -0.442 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.228 0.063 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.422 -1.919 -6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.529 -0.534 -7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.224 -0.598 -7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.946 -2.275 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.198 -2.154 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.783 -2.666 -5.599 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.416 2.597 -7.850 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.556 3.056 -8.635 1.00 0.00 C ATOM 1053 C GLU A 68 -1.949 2.019 -9.683 1.00 0.00 C ATOM 1054 O GLU A 68 -1.275 1.862 -10.701 1.00 0.00 O ATOM 1055 CB GLU A 68 -1.229 4.387 -9.318 1.00 0.00 C ATOM 1056 CG GLU A 68 -2.267 4.816 -10.341 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.643 5.291 -11.640 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.605 5.983 -11.582 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.195 4.970 -12.713 1.00 0.00 O ATOM 0 H GLU A 68 0.489 2.924 -8.188 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.397 3.199 -7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.137 5.163 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.259 4.305 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.936 3.980 -10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.877 5.616 -9.921 1.00 0.00 H new ATOM 1066 N MET A 69 -3.044 1.311 -9.424 1.00 0.00 N ATOM 1067 CA MET A 69 -3.528 0.289 -10.344 1.00 0.00 C ATOM 1068 C MET A 69 -3.916 0.903 -11.685 1.00 0.00 C ATOM 1069 O MET A 69 -4.013 2.123 -11.813 1.00 0.00 O ATOM 1070 CB MET A 69 -4.726 -0.446 -9.740 1.00 0.00 C ATOM 1071 CG MET A 69 -4.429 -1.090 -8.395 1.00 0.00 C ATOM 1072 SD MET A 69 -2.803 -1.868 -8.342 1.00 0.00 S ATOM 1073 CE MET A 69 -3.048 -3.242 -9.465 1.00 0.00 C ATOM 0 H MET A 69 -3.612 1.427 -8.585 1.00 0.00 H new ATOM 0 HA MET A 69 -2.721 -0.424 -10.512 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.551 0.256 -9.623 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.059 -1.216 -10.437 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.491 -0.334 -7.613 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.192 -1.837 -8.178 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.112 -3.464 -9.978 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.370 -4.118 -8.903 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.811 -2.981 -10.199 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.137 0.050 -12.680 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.514 0.511 -14.012 1.00 0.00 C ATOM 1085 C GLU A 70 -5.986 0.912 -14.051 1.00 0.00 C ATOM 1086 O GLU A 70 -6.379 1.805 -14.803 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.243 -0.579 -15.049 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.658 -0.195 -16.459 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.027 -1.396 -17.307 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.086 -2.004 -17.047 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.256 -1.728 -18.232 1.00 0.00 O ATOM 0 H GLU A 70 -4.062 -0.963 -12.590 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.910 1.386 -14.251 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.179 -0.816 -15.044 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.773 -1.486 -14.758 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.508 0.486 -16.411 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.843 0.347 -16.939 1.00 0.00 H new ATOM 1098 N THR A 71 -6.798 0.244 -13.238 1.00 0.00 N ATOM 1099 CA THR A 71 -8.226 0.528 -13.180 1.00 0.00 C ATOM 1100 C THR A 71 -8.713 0.612 -11.738 1.00 0.00 C ATOM 1101 O THR A 71 -8.136 -0.004 -10.841 1.00 0.00 O ATOM 1102 CB THR A 71 -9.042 -0.546 -13.922 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.221 -1.694 -13.085 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.348 -0.958 -15.213 1.00 0.00 C ATOM 0 H THR A 71 -6.490 -0.498 -12.610 1.00 0.00 H new ATOM 0 HA THR A 71 -8.376 1.491 -13.668 1.00 0.00 H new ATOM 0 HB THR A 71 -10.015 -0.122 -14.169 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.742 -2.371 -13.565 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.943 -1.718 -15.720 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.241 -0.089 -15.862 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.363 -1.363 -14.983 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.777 1.378 -11.520 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.341 1.543 -10.186 1.00 0.00 C ATOM 1114 C ARG A 72 -10.836 0.209 -9.637 1.00 0.00 C ATOM 1115 O ARG A 72 -10.742 -0.054 -8.439 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.489 2.554 -10.216 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.997 2.938 -8.836 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.312 4.424 -8.753 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.686 4.668 -8.322 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.730 4.631 -9.141 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.559 4.360 -10.428 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -15.950 4.866 -8.674 1.00 0.00 N ATOM 0 H ARG A 72 -10.266 1.895 -12.251 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.555 1.917 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.157 3.453 -10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.314 2.138 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.892 2.361 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.248 2.681 -8.087 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.623 4.902 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.151 4.884 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.852 4.878 -7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.623 4.179 -10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.363 4.332 -11.055 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.086 5.075 -7.685 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.752 4.837 -9.304 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.367 -0.629 -10.523 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.879 -1.936 -10.125 1.00 0.00 C ATOM 1138 C GLU A 73 -10.784 -2.775 -9.473 1.00 0.00 C ATOM 1139 O GLU A 73 -11.032 -3.495 -8.507 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.450 -2.675 -11.338 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.962 -2.582 -11.451 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.643 -3.928 -11.294 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.498 -4.776 -12.199 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -15.320 -4.132 -10.265 1.00 0.00 O ATOM 0 H GLU A 73 -11.454 -0.427 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.674 -1.780 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.001 -2.269 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.162 -3.725 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.338 -1.898 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.225 -2.157 -12.420 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.573 -2.676 -10.010 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.438 -3.424 -9.482 1.00 0.00 C ATOM 1153 C ASP A 74 -8.063 -2.930 -8.088 1.00 0.00 C ATOM 1154 O ASP A 74 -8.228 -3.644 -7.100 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.238 -3.303 -10.421 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.565 -3.733 -11.838 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.528 -4.509 -12.015 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.857 -3.295 -12.768 1.00 0.00 O ATOM 0 H ASP A 74 -9.352 -2.085 -10.811 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.727 -4.473 -9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.890 -2.270 -10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.419 -3.913 -10.039 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.556 -1.702 -8.019 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.158 -1.112 -6.747 1.00 0.00 C ATOM 1165 C ALA A 75 -8.214 -1.357 -5.674 1.00 0.00 C ATOM 1166 O ALA A 75 -7.887 -1.602 -4.513 1.00 0.00 O ATOM 1167 CB ALA A 75 -6.907 0.379 -6.913 1.00 0.00 C ATOM 0 H ALA A 75 -7.412 -1.098 -8.828 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.233 -1.591 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.611 0.807 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.112 0.535 -7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.819 0.865 -7.261 1.00 0.00 H new ATOM 1173 N MET A 76 -9.480 -1.286 -6.069 1.00 0.00 N ATOM 1174 CA MET A 76 -10.584 -1.500 -5.141 1.00 0.00 C ATOM 1175 C MET A 76 -10.632 -2.953 -4.678 1.00 0.00 C ATOM 1176 O MET A 76 -10.850 -3.232 -3.500 1.00 0.00 O ATOM 1177 CB MET A 76 -11.913 -1.117 -5.796 1.00 0.00 C ATOM 1178 CG MET A 76 -12.006 0.355 -6.164 1.00 0.00 C ATOM 1179 SD MET A 76 -12.691 1.361 -4.833 1.00 0.00 S ATOM 1180 CE MET A 76 -11.596 2.777 -4.882 1.00 0.00 C ATOM 0 H MET A 76 -9.767 -1.082 -7.026 1.00 0.00 H new ATOM 0 HA MET A 76 -10.421 -0.865 -4.270 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.052 -1.718 -6.695 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.729 -1.366 -5.117 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.013 0.725 -6.420 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.626 0.465 -7.054 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.353 3.085 -3.865 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.680 2.510 -5.409 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.087 3.599 -5.402 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.426 -3.874 -5.614 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.444 -5.297 -5.302 1.00 0.00 C ATOM 1192 C ALA A 77 -9.319 -5.663 -4.341 1.00 0.00 C ATOM 1193 O ALA A 77 -9.394 -6.669 -3.636 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.338 -6.118 -6.579 1.00 0.00 C ATOM 0 H ALA A 77 -10.245 -3.659 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.391 -5.525 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.353 -7.179 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.180 -5.886 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.406 -5.877 -7.090 1.00 0.00 H new ATOM 1200 N MET A 78 -8.275 -4.840 -4.319 1.00 0.00 N ATOM 1201 CA MET A 78 -7.134 -5.077 -3.442 1.00 0.00 C ATOM 1202 C MET A 78 -7.446 -4.646 -2.014 1.00 0.00 C ATOM 1203 O MET A 78 -7.294 -5.425 -1.071 1.00 0.00 O ATOM 1204 CB MET A 78 -5.903 -4.327 -3.957 1.00 0.00 C ATOM 1205 CG MET A 78 -4.601 -4.793 -3.328 1.00 0.00 C ATOM 1206 SD MET A 78 -3.152 -4.053 -4.107 1.00 0.00 S ATOM 1207 CE MET A 78 -1.900 -4.377 -2.866 1.00 0.00 C ATOM 0 H MET A 78 -8.196 -4.004 -4.898 1.00 0.00 H new ATOM 0 HA MET A 78 -6.925 -6.147 -3.441 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.839 -4.450 -5.038 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.030 -3.262 -3.764 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.605 -4.545 -2.267 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.534 -5.878 -3.401 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.003 -4.765 -3.347 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.659 -3.452 -2.342 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.276 -5.111 -2.153 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.885 -3.400 -1.858 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.219 -2.866 -0.544 1.00 0.00 C ATOM 1219 C VAL A 79 -9.375 -3.636 0.085 1.00 0.00 C ATOM 1220 O VAL A 79 -9.491 -3.713 1.308 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.594 -1.374 -0.623 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.510 -0.589 -1.345 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.939 -1.199 -1.312 1.00 0.00 C ATOM 0 H VAL A 79 -8.017 -2.742 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.331 -2.978 0.078 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.678 -0.984 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.792 0.463 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.568 -0.689 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.392 -0.978 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.188 -0.139 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.886 -1.605 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.708 -1.728 -0.749 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.228 -4.205 -0.760 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.375 -4.972 -0.288 1.00 0.00 C ATOM 1235 C ASP A 80 -10.939 -6.339 0.229 1.00 0.00 C ATOM 1236 O ASP A 80 -11.317 -6.750 1.327 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.400 -5.140 -1.410 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.810 -4.814 -0.960 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.120 -3.615 -0.801 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.605 -5.759 -0.765 1.00 0.00 O ATOM 0 H ASP A 80 -10.147 -4.150 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.835 -4.423 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.130 -4.493 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.367 -6.166 -1.778 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.142 -7.042 -0.570 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.654 -8.364 -0.193 1.00 0.00 C ATOM 1247 C HIS A 81 -8.977 -8.324 1.172 1.00 0.00 C ATOM 1248 O HIS A 81 -8.853 -9.349 1.845 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.678 -8.890 -1.246 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.842 -10.350 -1.539 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -9.600 -10.825 -2.588 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -8.338 -11.440 -0.915 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -9.558 -12.146 -2.595 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -8.798 -12.544 -1.590 1.00 0.00 N ATOM 0 H HIS A 81 -9.821 -6.718 -1.482 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.509 -9.037 -0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.813 -8.325 -2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.658 -8.708 -0.907 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.694 -11.441 -0.048 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.059 -12.790 -3.302 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -8.587 -13.514 -1.354 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.538 -7.138 1.575 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.870 -6.965 2.861 1.00 0.00 C ATOM 1264 C CYS A 82 -8.887 -6.893 3.997 1.00 0.00 C ATOM 1265 O CYS A 82 -8.587 -7.254 5.135 1.00 0.00 O ATOM 1266 CB CYS A 82 -7.013 -5.699 2.848 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.389 -5.213 4.474 1.00 0.00 S ATOM 0 H CYS A 82 -8.632 -6.281 1.030 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.227 -7.829 3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.168 -5.852 2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.602 -4.879 2.437 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.982 -5.915 5.394 1.00 0.00 H new ATOM 1273 N LEU A 83 -10.088 -6.424 3.679 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.150 -6.302 4.673 1.00 0.00 C ATOM 1275 C LEU A 83 -11.729 -7.671 5.020 1.00 0.00 C ATOM 1276 O LEU A 83 -11.978 -7.973 6.187 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.257 -5.383 4.156 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.824 -3.974 3.749 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.975 -3.234 3.085 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.317 -3.202 4.957 1.00 0.00 C ATOM 0 H LEU A 83 -10.352 -6.122 2.741 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.721 -5.869 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.726 -5.860 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.021 -5.298 4.928 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.009 -4.058 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.649 -2.233 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.292 -3.778 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.810 -3.160 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.013 -2.202 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.111 -3.127 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.463 -3.723 5.390 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.939 -8.494 3.999 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.486 -9.832 4.195 1.00 0.00 C ATOM 1294 C LYS A 84 -11.383 -10.823 4.554 1.00 0.00 C ATOM 1295 O LYS A 84 -11.565 -11.684 5.417 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.213 -10.298 2.932 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.394 -9.423 2.552 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.106 -8.607 1.303 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.276 -9.440 0.042 1.00 0.00 C ATOM 1300 NZ LYS A 84 -13.261 -9.095 -0.992 1.00 0.00 N ATOM 0 H LYS A 84 -11.739 -8.259 3.027 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.196 -9.790 5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.506 -10.319 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.562 -11.320 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.272 -10.048 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.632 -8.753 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.776 -7.748 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.089 -8.217 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.195 -10.498 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.275 -9.284 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.667 -9.239 -1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.980 -8.100 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.427 -9.705 -0.877 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.241 -10.696 3.889 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.107 -11.578 4.141 1.00 0.00 C ATOM 1316 C LYS A 85 -7.880 -10.780 4.569 1.00 0.00 C ATOM 1317 O LYS A 85 -7.724 -9.617 4.198 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.784 -12.397 2.889 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.648 -13.386 3.084 1.00 0.00 C ATOM 1320 CD LYS A 85 -7.925 -14.700 2.376 1.00 0.00 C ATOM 1321 CE LYS A 85 -6.828 -15.037 1.377 1.00 0.00 C ATOM 1322 NZ LYS A 85 -6.660 -16.508 1.214 1.00 0.00 N ATOM 0 H LYS A 85 -10.075 -9.991 3.171 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.379 -12.255 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.677 -12.939 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.527 -11.717 2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.721 -12.956 2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.503 -13.569 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.007 -15.500 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.883 -14.641 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.065 -14.589 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.887 -14.598 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.904 -16.697 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.409 -16.932 2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.550 -16.923 0.873 1.00 0.00 H new ATOM 1336 N ALA A 86 -7.011 -11.412 5.350 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.796 -10.761 5.825 1.00 0.00 C ATOM 1338 C ALA A 86 -4.686 -10.841 4.782 1.00 0.00 C ATOM 1339 O ALA A 86 -4.255 -11.930 4.401 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.339 -11.387 7.134 1.00 0.00 C ATOM 0 H ALA A 86 -7.125 -12.375 5.668 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.021 -9.709 5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.431 -10.891 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.121 -11.272 7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.137 -12.447 6.980 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.227 -9.682 4.323 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.167 -9.620 3.323 1.00 0.00 C ATOM 1348 C LEU A 87 -1.793 -9.647 3.984 1.00 0.00 C ATOM 1349 O LEU A 87 -1.395 -8.691 4.648 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.313 -8.357 2.474 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.829 -8.461 1.026 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.629 -7.532 0.128 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.343 -8.144 0.938 1.00 0.00 C ATOM 0 H LEU A 87 -4.573 -8.772 4.628 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.257 -10.495 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.364 -8.069 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.766 -7.550 2.962 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.983 -9.484 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.271 -7.620 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.683 -7.805 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.508 -6.504 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.015 -8.223 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.165 -7.131 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.783 -8.851 1.550 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.072 -10.746 3.794 1.00 0.00 N ATOM 1366 CA TRP A 88 0.259 -10.896 4.370 1.00 0.00 C ATOM 1367 C TRP A 88 1.337 -10.701 3.308 1.00 0.00 C ATOM 1368 O TRP A 88 1.290 -11.316 2.243 1.00 0.00 O ATOM 1369 CB TRP A 88 0.406 -12.274 5.016 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.281 -12.383 6.344 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.492 -12.963 6.595 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.203 -11.899 7.601 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.790 -12.867 7.933 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.766 -12.221 8.572 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.360 -11.228 8.002 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.611 -11.891 9.916 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.514 -10.901 9.336 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.533 -11.232 10.280 1.00 0.00 C ATOM 0 H TRP A 88 -1.387 -11.546 3.246 1.00 0.00 H new ATOM 0 HA TRP A 88 0.385 -10.129 5.134 1.00 0.00 H new ATOM 0 HB2 TRP A 88 0.001 -13.029 4.342 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.465 -12.497 5.143 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.122 -13.428 5.852 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.637 -13.220 8.378 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.122 -10.969 7.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.366 -12.146 10.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.405 -10.382 9.656 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.682 -10.962 11.315 1.00 0.00 H new ATOM 1433 N ARG A 92 4.171 -10.024 6.926 1.00 0.00 N ATOM 1434 CA ARG A 92 3.794 -8.794 7.612 1.00 0.00 C ATOM 1435 C ARG A 92 2.350 -8.416 7.296 1.00 0.00 C ATOM 1436 O ARG A 92 1.931 -8.442 6.138 1.00 0.00 O ATOM 1437 CB ARG A 92 4.731 -7.653 7.211 1.00 0.00 C ATOM 1438 CG ARG A 92 6.061 -7.670 7.946 1.00 0.00 C ATOM 1439 CD ARG A 92 6.252 -6.415 8.783 1.00 0.00 C ATOM 1440 NE ARG A 92 7.654 -6.197 9.131 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.276 -6.839 10.113 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.624 -7.736 10.840 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.554 -6.586 10.368 1.00 0.00 N ATOM 0 HA ARG A 92 3.880 -8.965 8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.918 -7.707 6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.233 -6.702 7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.111 -8.549 8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.875 -7.755 7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.877 -5.552 8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.660 -6.494 9.695 1.00 0.00 H new ATOM 0 HE ARG A 92 8.184 -5.514 8.590 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.643 -7.934 10.645 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.104 -8.228 11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.059 -5.898 9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.031 -7.080 11.123 1.00 0.00 H new ATOM 1457 N CYS A 93 1.595 -8.066 8.331 1.00 0.00 N ATOM 1458 CA CYS A 93 0.198 -7.684 8.164 1.00 0.00 C ATOM 1459 C CYS A 93 0.084 -6.281 7.577 1.00 0.00 C ATOM 1460 O CYS A 93 -0.522 -5.391 8.177 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.534 -7.749 9.505 1.00 0.00 C ATOM 1462 SG CYS A 93 -2.326 -7.536 9.380 1.00 0.00 S ATOM 0 H CYS A 93 1.927 -8.039 9.295 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.264 -8.387 7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.325 -8.710 9.974 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.132 -6.979 10.164 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.589 -6.437 8.738 1.00 0.00 H new ATOM 1468 N VAL A 94 0.672 -6.087 6.401 1.00 0.00 N ATOM 1469 CA VAL A 94 0.637 -4.792 5.733 1.00 0.00 C ATOM 1470 C VAL A 94 -0.796 -4.314 5.534 1.00 0.00 C ATOM 1471 O VAL A 94 -1.670 -5.084 5.134 1.00 0.00 O ATOM 1472 CB VAL A 94 1.344 -4.847 4.365 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.760 -5.959 3.507 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.238 -3.505 3.656 1.00 0.00 C ATOM 0 H VAL A 94 1.179 -6.811 5.891 1.00 0.00 H new ATOM 0 HA VAL A 94 1.164 -4.089 6.378 1.00 0.00 H new ATOM 0 HB VAL A 94 2.400 -5.063 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.271 -5.983 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.892 -6.916 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.303 -5.776 3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.743 -3.562 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.188 -3.257 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.707 -2.733 4.266 1.00 0.00 H new ATOM 1484 N LYS A 95 -1.033 -3.037 5.813 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.361 -2.454 5.663 1.00 0.00 C ATOM 1486 C LYS A 95 -2.518 -1.804 4.293 1.00 0.00 C ATOM 1487 O LYS A 95 -1.877 -0.797 3.995 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.613 -1.418 6.762 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.855 -1.700 7.590 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.610 -2.804 8.604 1.00 0.00 C ATOM 1491 CE LYS A 95 -4.337 -2.532 9.911 1.00 0.00 C ATOM 1492 NZ LYS A 95 -3.415 -2.576 11.080 1.00 0.00 N ATOM 0 H LYS A 95 -0.322 -2.385 6.145 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.094 -3.256 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.746 -1.383 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.706 -0.432 6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.163 -0.791 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.675 -1.985 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.943 -3.757 8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.540 -2.895 8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.816 -1.554 9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.129 -3.269 10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.950 -2.385 11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.977 -3.517 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.673 -1.856 10.965 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.377 -2.387 3.462 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.620 -1.863 2.123 1.00 0.00 C ATOM 1508 C VAL A 96 -4.956 -1.131 2.054 1.00 0.00 C ATOM 1509 O VAL A 96 -6.015 -1.732 2.239 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.608 -2.987 1.069 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.725 -3.984 1.338 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -3.727 -2.405 -0.331 1.00 0.00 C ATOM 0 H VAL A 96 -3.916 -3.222 3.693 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.813 -1.163 1.906 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.658 -3.516 1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.700 -4.770 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.589 -4.425 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.687 -3.473 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.717 -3.213 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.661 -1.850 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.888 -1.735 -0.519 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.899 0.168 1.786 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.105 0.983 1.691 1.00 0.00 C ATOM 1524 C ASP A 97 -5.946 2.067 0.630 1.00 0.00 C ATOM 1525 O ASP A 97 -4.861 2.622 0.452 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.425 1.620 3.045 1.00 0.00 C ATOM 1527 CG ASP A 97 -7.211 0.691 3.949 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -8.149 0.032 3.453 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -6.888 0.624 5.153 1.00 0.00 O ATOM 0 H ASP A 97 -4.031 0.680 1.631 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.930 0.333 1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.496 1.903 3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.994 2.536 2.887 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.033 2.364 -0.074 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.014 3.381 -1.119 1.00 0.00 C ATOM 1536 C LEU A 98 -6.908 4.778 -0.517 1.00 0.00 C ATOM 1537 O LEU A 98 -7.602 5.105 0.446 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.274 3.279 -1.981 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.059 2.870 -3.438 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.559 1.453 -3.674 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.757 3.846 -4.373 1.00 0.00 C ATOM 0 H LEU A 98 -7.939 1.915 0.060 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.138 3.207 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.949 2.559 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.779 4.245 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.990 2.896 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.398 1.179 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.015 0.763 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.623 1.400 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.594 3.540 -5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.826 3.852 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.352 4.847 -4.223 1.00 0.00 H new ATOM 1553 N SER A 99 -6.037 5.600 -1.092 1.00 0.00 N ATOM 1554 CA SER A 99 -5.838 6.963 -0.611 1.00 0.00 C ATOM 1555 C SER A 99 -6.299 7.979 -1.652 1.00 0.00 C ATOM 1556 O SER A 99 -6.703 7.612 -2.755 1.00 0.00 O ATOM 1557 CB SER A 99 -4.366 7.197 -0.270 1.00 0.00 C ATOM 1558 OG SER A 99 -4.231 7.923 0.939 1.00 0.00 O ATOM 0 H SER A 99 -5.457 5.347 -1.892 1.00 0.00 H new ATOM 0 HA SER A 99 -6.437 7.095 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.853 6.239 -0.182 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.884 7.743 -1.081 1.00 0.00 H new ATOM 0 HG SER A 99 -3.280 8.058 1.135 1.00 0.00 H new