USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 49 ASN : amide:sc= -1.13 K(o=-0.26,f=-4.4!) USER MOD Set 1.2: A 52 THR OG1 : rot 81:sc= 1.17 USER MOD Set 1.3: A 76 CYS SG : rot -7:sc= -0.306 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot -120:sc= 0.988 USER MOD Single : A 29 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.4) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0765 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.175 K(o=-0.17,f=-1.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.01! C(o=-2!,f=-11!) USER MOD Single : A 63 GLN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.069 X(o=-0.069,f=-0.032) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 74:sc= 0.755 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.41) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.92! C(o=-1.9!,f=-4.1!) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= -0.233 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.477 1.276 -11.319 1.00 0.00 N ATOM 391 CA ILE A 28 -37.862 2.596 -11.363 1.00 0.00 C ATOM 392 C ILE A 28 -38.136 3.286 -12.696 1.00 0.00 C ATOM 393 O ILE A 28 -38.153 2.645 -13.746 1.00 0.00 O ATOM 394 CB ILE A 28 -36.340 2.517 -11.143 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.025 1.662 -9.913 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.753 3.912 -10.988 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.618 2.204 -8.632 1.00 0.00 C ATOM 0 HA ILE A 28 -38.307 3.178 -10.556 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.886 2.048 -12.016 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.399 0.651 -10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.943 1.587 -9.800 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.677 3.839 -10.833 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.951 4.492 -11.889 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.210 4.406 -10.130 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.354 1.548 -7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.225 3.203 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.703 2.253 -8.725 1.00 0.00 H new ATOM 409 N ASN A 29 -38.348 4.597 -12.645 1.00 0.00 N ATOM 410 CA ASN A 29 -38.620 5.375 -13.848 1.00 0.00 C ATOM 411 C ASN A 29 -38.163 6.820 -13.676 1.00 0.00 C ATOM 412 O ASN A 29 -38.071 7.323 -12.556 1.00 0.00 O ATOM 413 CB ASN A 29 -40.113 5.335 -14.180 1.00 0.00 C ATOM 414 CG ASN A 29 -40.671 3.925 -14.168 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.261 3.488 -13.180 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.486 3.207 -15.269 1.00 0.00 N ATOM 0 H ASN A 29 -38.337 5.143 -11.783 1.00 0.00 H new ATOM 0 HA ASN A 29 -38.060 4.932 -14.672 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.659 5.945 -13.460 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.276 5.779 -15.162 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -40.839 2.251 -15.320 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -39.991 3.611 -16.064 1.00 0.00 H new ATOM 423 N ILE A 30 -37.880 7.482 -14.793 1.00 0.00 N ATOM 424 CA ILE A 30 -37.435 8.870 -14.766 1.00 0.00 C ATOM 425 C ILE A 30 -38.229 9.721 -15.752 1.00 0.00 C ATOM 426 O ILE A 30 -38.785 9.209 -16.724 1.00 0.00 O ATOM 427 CB ILE A 30 -35.935 8.987 -15.095 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.588 8.121 -16.308 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.096 8.584 -13.892 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.122 8.163 -16.680 1.00 0.00 C ATOM 0 H ILE A 30 -37.951 7.080 -15.728 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.606 9.237 -13.754 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.711 10.026 -15.338 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.873 7.089 -16.101 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.181 8.451 -17.161 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -34.038 8.672 -14.140 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.327 9.238 -13.052 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.321 7.552 -13.621 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.948 7.527 -17.548 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.836 9.188 -16.918 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.524 7.805 -15.842 1.00 0.00 H new ATOM 442 N THR A 31 -38.276 11.025 -15.496 1.00 0.00 N ATOM 443 CA THR A 31 -39.000 11.948 -16.361 1.00 0.00 C ATOM 444 C THR A 31 -38.161 13.182 -16.673 1.00 0.00 C ATOM 445 O THR A 31 -37.037 13.319 -16.188 1.00 0.00 O ATOM 446 CB THR A 31 -40.328 12.392 -15.721 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.150 12.599 -14.315 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.415 11.354 -15.952 1.00 0.00 C ATOM 0 H THR A 31 -37.821 11.465 -14.696 1.00 0.00 H new ATOM 0 HA THR A 31 -39.212 11.413 -17.287 1.00 0.00 H new ATOM 0 HB THR A 31 -40.636 13.327 -16.189 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.999 12.883 -13.916 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.343 11.690 -15.491 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.569 11.221 -17.023 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.112 10.405 -15.509 1.00 0.00 H new ATOM 456 N TYR A 32 -38.713 14.077 -17.484 1.00 0.00 N ATOM 457 CA TYR A 32 -38.014 15.300 -17.862 1.00 0.00 C ATOM 458 C TYR A 32 -37.794 16.198 -16.648 1.00 0.00 C ATOM 459 O TYR A 32 -36.948 17.093 -16.670 1.00 0.00 O ATOM 460 CB TYR A 32 -38.805 16.054 -18.932 1.00 0.00 C ATOM 461 CG TYR A 32 -38.353 15.753 -20.343 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.074 16.086 -20.770 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.206 15.136 -21.250 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.657 15.814 -22.059 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.797 14.858 -22.540 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.522 15.199 -22.939 1.00 0.00 C ATOM 467 OH TYR A 32 -37.111 14.926 -24.224 1.00 0.00 O ATOM 0 H TYR A 32 -39.642 13.979 -17.893 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.041 15.023 -18.267 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.861 15.802 -18.836 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.715 17.125 -18.751 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.393 16.566 -20.082 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.206 14.869 -20.941 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.660 16.082 -22.375 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.472 14.376 -23.232 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.839 14.490 -24.715 1.00 0.00 H new ATOM 477 N ASP A 33 -38.560 15.952 -15.591 1.00 0.00 N ATOM 478 CA ASP A 33 -38.448 16.737 -14.367 1.00 0.00 C ATOM 479 C ASP A 33 -37.955 15.873 -13.211 1.00 0.00 C ATOM 480 O ASP A 33 -38.390 16.036 -12.071 1.00 0.00 O ATOM 481 CB ASP A 33 -39.798 17.362 -14.013 1.00 0.00 C ATOM 482 CG ASP A 33 -39.674 18.819 -13.611 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.619 19.680 -14.514 1.00 0.00 O ATOM 484 OD2 ASP A 33 -39.631 19.098 -12.395 1.00 0.00 O ATOM 0 H ASP A 33 -39.265 15.216 -15.557 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.722 17.531 -14.538 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.469 17.280 -14.868 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.252 16.800 -13.197 1.00 0.00 H new ATOM 489 N SER A 34 -37.045 14.952 -13.513 1.00 0.00 N ATOM 490 CA SER A 34 -36.496 14.059 -12.500 1.00 0.00 C ATOM 491 C SER A 34 -35.184 14.606 -11.947 1.00 0.00 C ATOM 492 O SER A 34 -34.612 15.552 -12.491 1.00 0.00 O ATOM 493 CB SER A 34 -36.272 12.664 -13.087 1.00 0.00 C ATOM 494 OG SER A 34 -37.454 11.886 -13.017 1.00 0.00 O ATOM 0 H SER A 34 -36.673 14.805 -14.451 1.00 0.00 H new ATOM 0 HA SER A 34 -37.215 13.991 -11.683 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.950 12.750 -14.125 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.470 12.162 -12.545 1.00 0.00 H new ATOM 0 HG SER A 34 -37.286 11.084 -12.480 1.00 0.00 H new ATOM 500 N THR A 35 -34.710 14.005 -10.860 1.00 0.00 N ATOM 501 CA THR A 35 -33.467 14.431 -10.231 1.00 0.00 C ATOM 502 C THR A 35 -32.289 13.593 -10.716 1.00 0.00 C ATOM 503 O THR A 35 -32.447 12.454 -11.156 1.00 0.00 O ATOM 504 CB THR A 35 -33.552 14.336 -8.696 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.185 13.020 -8.265 1.00 0.00 O ATOM 506 CG2 THR A 35 -34.957 14.660 -8.211 1.00 0.00 C ATOM 0 H THR A 35 -35.169 13.221 -10.397 1.00 0.00 H new ATOM 0 HA THR A 35 -33.310 15.472 -10.515 1.00 0.00 H new ATOM 0 HB THR A 35 -32.861 15.063 -8.270 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.240 12.969 -7.288 1.00 0.00 H new ATOM 0 HG21 THR A 35 -34.993 14.586 -7.124 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.222 15.673 -8.515 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.664 13.953 -8.646 1.00 0.00 H new ATOM 514 N PRO A 36 -31.080 14.167 -10.635 1.00 0.00 N ATOM 515 CA PRO A 36 -29.852 13.490 -11.060 1.00 0.00 C ATOM 516 C PRO A 36 -29.475 12.337 -10.135 1.00 0.00 C ATOM 517 O PRO A 36 -28.557 11.571 -10.426 1.00 0.00 O ATOM 518 CB PRO A 36 -28.795 14.595 -10.994 1.00 0.00 C ATOM 519 CG PRO A 36 -29.321 15.562 -9.989 1.00 0.00 C ATOM 520 CD PRO A 36 -30.818 15.522 -10.120 1.00 0.00 C ATOM 0 HA PRO A 36 -29.957 13.040 -12.047 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.826 14.198 -10.692 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.657 15.069 -11.966 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.010 15.286 -8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.940 16.566 -10.176 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.310 15.690 -9.162 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.182 16.289 -10.804 1.00 0.00 H new ATOM 528 N GLU A 37 -30.190 12.221 -9.020 1.00 0.00 N ATOM 529 CA GLU A 37 -29.929 11.162 -8.053 1.00 0.00 C ATOM 530 C GLU A 37 -30.844 9.965 -8.297 1.00 0.00 C ATOM 531 O GLU A 37 -30.519 8.836 -7.930 1.00 0.00 O ATOM 532 CB GLU A 37 -30.123 11.683 -6.627 1.00 0.00 C ATOM 533 CG GLU A 37 -29.035 11.238 -5.664 1.00 0.00 C ATOM 534 CD GLU A 37 -29.103 11.962 -4.333 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.884 11.528 -3.461 1.00 0.00 O ATOM 536 OE2 GLU A 37 -28.376 12.963 -4.164 1.00 0.00 O ATOM 0 H GLU A 37 -30.954 12.847 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.895 10.839 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.155 12.772 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.089 11.343 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.122 10.165 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.059 11.411 -6.118 1.00 0.00 H new ATOM 543 N ASP A 38 -31.990 10.221 -8.918 1.00 0.00 N ATOM 544 CA ASP A 38 -32.953 9.166 -9.211 1.00 0.00 C ATOM 545 C ASP A 38 -32.552 8.399 -10.467 1.00 0.00 C ATOM 546 O ASP A 38 -32.877 7.221 -10.618 1.00 0.00 O ATOM 547 CB ASP A 38 -34.353 9.758 -9.385 1.00 0.00 C ATOM 548 CG ASP A 38 -35.173 9.690 -8.112 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.692 10.184 -7.070 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.295 9.144 -8.157 1.00 0.00 O ATOM 0 H ASP A 38 -32.275 11.150 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.962 8.472 -8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.268 10.797 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.874 9.223 -10.179 1.00 0.00 H new ATOM 555 N VAL A 39 -31.845 9.075 -11.367 1.00 0.00 N ATOM 556 CA VAL A 39 -31.400 8.457 -12.610 1.00 0.00 C ATOM 557 C VAL A 39 -30.340 7.392 -12.346 1.00 0.00 C ATOM 558 O VAL A 39 -30.250 6.398 -13.067 1.00 0.00 O ATOM 559 CB VAL A 39 -30.828 9.504 -13.584 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.308 8.832 -14.846 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.881 10.549 -13.921 1.00 0.00 C ATOM 0 H VAL A 39 -31.568 10.051 -11.258 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.275 7.990 -13.062 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.992 10.008 -13.099 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.908 9.588 -15.522 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.520 8.126 -14.584 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.123 8.301 -15.337 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.460 11.281 -14.610 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.739 10.064 -14.387 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.200 11.052 -13.008 1.00 0.00 H new ATOM 571 N LYS A 40 -29.540 7.607 -11.308 1.00 0.00 N ATOM 572 CA LYS A 40 -28.487 6.666 -10.945 1.00 0.00 C ATOM 573 C LYS A 40 -29.073 5.302 -10.596 1.00 0.00 C ATOM 574 O LYS A 40 -28.523 4.264 -10.968 1.00 0.00 O ATOM 575 CB LYS A 40 -27.679 7.204 -9.762 1.00 0.00 C ATOM 576 CG LYS A 40 -26.177 7.167 -9.984 1.00 0.00 C ATOM 577 CD LYS A 40 -25.469 8.253 -9.192 1.00 0.00 C ATOM 578 CE LYS A 40 -25.103 7.776 -7.795 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.645 7.914 -7.526 1.00 0.00 N ATOM 0 H LYS A 40 -29.601 8.426 -10.702 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.827 6.549 -11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.983 8.232 -9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -27.921 6.622 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -25.789 6.191 -9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.962 7.291 -11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.567 8.560 -9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.112 9.131 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.664 8.349 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.397 6.733 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.436 7.578 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.110 7.347 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -23.369 8.913 -7.612 1.00 0.00 H new ATOM 593 N THR A 41 -30.193 5.309 -9.881 1.00 0.00 N ATOM 594 CA THR A 41 -30.854 4.073 -9.482 1.00 0.00 C ATOM 595 C THR A 41 -31.619 3.458 -10.648 1.00 0.00 C ATOM 596 O THR A 41 -31.780 2.239 -10.724 1.00 0.00 O ATOM 597 CB THR A 41 -31.826 4.308 -8.311 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.114 4.815 -7.177 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.540 3.018 -7.933 1.00 0.00 C ATOM 0 H THR A 41 -30.662 6.158 -9.566 1.00 0.00 H new ATOM 0 HA THR A 41 -30.071 3.385 -9.161 1.00 0.00 H new ATOM 0 HB THR A 41 -32.571 5.038 -8.627 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.740 4.963 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.221 3.209 -7.104 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.105 2.650 -8.790 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.806 2.270 -7.635 1.00 0.00 H new ATOM 607 N TRP A 42 -32.089 4.307 -11.554 1.00 0.00 N ATOM 608 CA TRP A 42 -32.838 3.845 -12.718 1.00 0.00 C ATOM 609 C TRP A 42 -31.949 3.029 -13.649 1.00 0.00 C ATOM 610 O TRP A 42 -32.409 2.088 -14.297 1.00 0.00 O ATOM 611 CB TRP A 42 -33.431 5.036 -13.473 1.00 0.00 C ATOM 612 CG TRP A 42 -34.174 4.642 -14.714 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.454 4.172 -14.789 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.680 4.682 -16.057 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.785 3.918 -16.098 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.715 4.223 -16.896 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.465 5.062 -16.634 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.569 4.134 -18.277 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.322 4.973 -18.005 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.369 4.513 -18.815 1.00 0.00 C ATOM 0 H TRP A 42 -31.965 5.318 -11.506 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.648 3.205 -12.368 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.106 5.577 -12.810 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.629 5.723 -13.741 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.109 4.022 -13.944 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.683 3.560 -16.423 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.652 5.419 -16.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.374 3.778 -18.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.387 5.263 -18.461 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.226 4.457 -19.884 1.00 0.00 H new ATOM 631 N LEU A 43 -30.673 3.394 -13.712 1.00 0.00 N ATOM 632 CA LEU A 43 -29.718 2.694 -14.564 1.00 0.00 C ATOM 633 C LEU A 43 -29.294 1.370 -13.935 1.00 0.00 C ATOM 634 O LEU A 43 -29.206 0.349 -14.617 1.00 0.00 O ATOM 635 CB LEU A 43 -28.489 3.570 -14.813 1.00 0.00 C ATOM 636 CG LEU A 43 -28.764 4.977 -15.344 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.861 5.992 -14.661 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.575 5.023 -16.854 1.00 0.00 C ATOM 0 H LEU A 43 -30.276 4.171 -13.183 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.205 2.483 -15.516 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.935 3.658 -13.878 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.839 3.056 -15.522 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.799 5.234 -15.119 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.071 6.987 -15.052 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.045 5.978 -13.587 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.818 5.739 -14.854 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.775 6.032 -17.215 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.550 4.745 -17.101 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.264 4.325 -17.328 1.00 0.00 H new ATOM 650 N GLN A 44 -29.037 1.396 -12.632 1.00 0.00 N ATOM 651 CA GLN A 44 -28.624 0.198 -11.911 1.00 0.00 C ATOM 652 C GLN A 44 -29.718 -0.864 -11.949 1.00 0.00 C ATOM 653 O GLN A 44 -29.452 -2.035 -12.218 1.00 0.00 O ATOM 654 CB GLN A 44 -28.281 0.542 -10.461 1.00 0.00 C ATOM 655 CG GLN A 44 -26.931 1.222 -10.300 1.00 0.00 C ATOM 656 CD GLN A 44 -25.852 0.271 -9.821 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.017 -0.948 -9.868 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.738 0.825 -9.357 1.00 0.00 N ATOM 0 H GLN A 44 -29.107 2.233 -12.054 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.737 -0.202 -12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.057 1.193 -10.057 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.291 -0.372 -9.867 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.631 1.655 -11.254 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.025 2.045 -9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.644 1.840 -9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.977 0.235 -9.021 1.00 0.00 H new ATOM 667 N SER A 45 -30.951 -0.446 -11.677 1.00 0.00 N ATOM 668 CA SER A 45 -32.085 -1.363 -11.676 1.00 0.00 C ATOM 669 C SER A 45 -32.140 -2.161 -12.975 1.00 0.00 C ATOM 670 O SER A 45 -32.258 -3.386 -12.961 1.00 0.00 O ATOM 671 CB SER A 45 -33.392 -0.590 -11.483 1.00 0.00 C ATOM 672 OG SER A 45 -34.491 -1.305 -12.019 1.00 0.00 O ATOM 0 H SER A 45 -31.189 0.521 -11.455 1.00 0.00 H new ATOM 0 HA SER A 45 -31.957 -2.060 -10.848 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.556 -0.407 -10.421 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.317 0.384 -11.967 1.00 0.00 H new ATOM 0 HG SER A 45 -35.314 -0.791 -11.882 1.00 0.00 H new ATOM 678 N LYS A 46 -32.055 -1.456 -14.099 1.00 0.00 N ATOM 679 CA LYS A 46 -32.093 -2.096 -15.408 1.00 0.00 C ATOM 680 C LYS A 46 -30.974 -3.124 -15.545 1.00 0.00 C ATOM 681 O LYS A 46 -31.119 -4.124 -16.245 1.00 0.00 O ATOM 682 CB LYS A 46 -31.974 -1.047 -16.515 1.00 0.00 C ATOM 683 CG LYS A 46 -33.142 -0.078 -16.563 1.00 0.00 C ATOM 684 CD LYS A 46 -34.439 -0.785 -16.917 1.00 0.00 C ATOM 685 CE LYS A 46 -35.613 0.182 -16.944 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.893 -0.488 -16.583 1.00 0.00 N ATOM 0 H LYS A 46 -31.959 -0.441 -14.129 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.049 -2.611 -15.505 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.051 -0.484 -16.373 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.893 -1.554 -17.477 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.247 0.415 -15.596 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -32.939 0.701 -17.297 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.339 -1.264 -17.891 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.634 -1.575 -16.191 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.424 1.002 -16.251 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.700 0.619 -17.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.668 0.205 -16.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.087 -1.254 -17.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -36.819 -0.884 -15.624 1.00 0.00 H new ATOM 700 N GLY A 47 -29.857 -2.870 -14.868 1.00 0.00 N ATOM 701 CA GLY A 47 -28.731 -3.783 -14.927 1.00 0.00 C ATOM 702 C GLY A 47 -27.588 -3.240 -15.762 1.00 0.00 C ATOM 703 O GLY A 47 -26.869 -4.000 -16.411 1.00 0.00 O ATOM 0 H GLY A 47 -29.713 -2.049 -14.281 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.376 -3.983 -13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.060 -4.735 -15.343 1.00 0.00 H new ATOM 707 N PHE A 48 -27.419 -1.922 -15.746 1.00 0.00 N ATOM 708 CA PHE A 48 -26.357 -1.278 -16.510 1.00 0.00 C ATOM 709 C PHE A 48 -25.064 -1.221 -15.701 1.00 0.00 C ATOM 710 O PHE A 48 -25.089 -1.069 -14.481 1.00 0.00 O ATOM 711 CB PHE A 48 -26.779 0.134 -16.919 1.00 0.00 C ATOM 712 CG PHE A 48 -27.724 0.163 -18.086 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.261 -0.045 -19.375 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.076 0.398 -17.894 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.128 -0.019 -20.451 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.949 0.425 -18.966 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.474 0.216 -20.246 1.00 0.00 C ATOM 0 H PHE A 48 -28.004 -1.279 -15.212 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.178 -1.870 -17.407 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.251 0.625 -16.068 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.889 0.713 -17.168 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.210 -0.230 -19.541 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.452 0.562 -16.895 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.754 -0.182 -21.451 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.001 0.609 -18.803 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.154 0.236 -21.085 1.00 0.00 H new ATOM 727 N ASN A 49 -23.935 -1.344 -16.392 1.00 0.00 N ATOM 728 CA ASN A 49 -22.632 -1.308 -15.739 1.00 0.00 C ATOM 729 C ASN A 49 -22.496 -0.065 -14.864 1.00 0.00 C ATOM 730 O ASN A 49 -23.158 0.950 -15.078 1.00 0.00 O ATOM 731 CB ASN A 49 -21.514 -1.334 -16.784 1.00 0.00 C ATOM 732 CG ASN A 49 -21.435 -0.045 -17.578 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.344 0.784 -17.530 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.344 0.130 -18.315 1.00 0.00 N ATOM 0 H ASN A 49 -23.897 -1.469 -17.404 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.547 -2.189 -15.103 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.560 -1.511 -16.287 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.677 -2.168 -17.466 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.235 0.978 -18.871 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.615 -0.584 -18.325 1.00 0.00 H new ATOM 741 N PRO A 50 -21.617 -0.146 -13.855 1.00 0.00 N ATOM 742 CA PRO A 50 -21.373 0.963 -12.927 1.00 0.00 C ATOM 743 C PRO A 50 -20.649 2.127 -13.594 1.00 0.00 C ATOM 744 O PRO A 50 -20.791 3.279 -13.182 1.00 0.00 O ATOM 745 CB PRO A 50 -20.490 0.334 -11.846 1.00 0.00 C ATOM 746 CG PRO A 50 -19.813 -0.806 -12.526 1.00 0.00 C ATOM 747 CD PRO A 50 -20.794 -1.326 -13.540 1.00 0.00 C ATOM 0 HA PRO A 50 -22.302 1.386 -12.545 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.766 1.051 -11.460 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -21.084 -0.007 -10.998 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.890 -0.481 -13.007 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.543 -1.583 -11.810 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.290 -1.712 -14.426 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.396 -2.140 -13.136 1.00 0.00 H new ATOM 755 N VAL A 51 -19.872 1.821 -14.629 1.00 0.00 N ATOM 756 CA VAL A 51 -19.126 2.843 -15.354 1.00 0.00 C ATOM 757 C VAL A 51 -20.066 3.856 -15.997 1.00 0.00 C ATOM 758 O VAL A 51 -19.678 4.991 -16.277 1.00 0.00 O ATOM 759 CB VAL A 51 -18.237 2.219 -16.446 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.495 3.303 -17.214 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.262 1.224 -15.835 1.00 0.00 C ATOM 0 H VAL A 51 -19.743 0.873 -14.984 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.493 3.350 -14.626 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.876 1.682 -17.148 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.872 2.844 -17.981 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.215 3.973 -17.684 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.866 3.870 -16.527 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.642 0.793 -16.621 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.627 1.735 -15.111 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.817 0.431 -15.335 1.00 0.00 H new ATOM 771 N THR A 52 -21.308 3.440 -16.228 1.00 0.00 N ATOM 772 CA THR A 52 -22.304 4.311 -16.839 1.00 0.00 C ATOM 773 C THR A 52 -23.123 5.038 -15.778 1.00 0.00 C ATOM 774 O THR A 52 -23.384 6.236 -15.894 1.00 0.00 O ATOM 775 CB THR A 52 -23.258 3.519 -17.753 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.533 2.972 -18.861 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.381 4.409 -18.265 1.00 0.00 C ATOM 0 H THR A 52 -21.647 2.505 -16.001 1.00 0.00 H new ATOM 0 HA THR A 52 -21.760 5.041 -17.439 1.00 0.00 H new ATOM 0 HB THR A 52 -23.696 2.709 -17.170 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.078 2.150 -18.581 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.042 3.828 -18.908 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.949 4.800 -17.421 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.958 5.237 -18.833 1.00 0.00 H new ATOM 785 N VAL A 53 -23.525 4.307 -14.743 1.00 0.00 N ATOM 786 CA VAL A 53 -24.313 4.883 -13.660 1.00 0.00 C ATOM 787 C VAL A 53 -23.531 5.969 -12.930 1.00 0.00 C ATOM 788 O VAL A 53 -24.113 6.840 -12.284 1.00 0.00 O ATOM 789 CB VAL A 53 -24.745 3.807 -12.647 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.599 4.421 -11.548 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.493 2.684 -13.349 1.00 0.00 C ATOM 0 H VAL A 53 -23.318 3.314 -14.632 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.202 5.322 -14.113 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.851 3.386 -12.188 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.895 3.646 -10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.025 5.187 -11.027 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.489 4.871 -11.987 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.791 1.932 -12.618 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.380 3.087 -13.837 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.845 2.226 -14.096 1.00 0.00 H new ATOM 801 N ASN A 54 -22.207 5.911 -13.037 1.00 0.00 N ATOM 802 CA ASN A 54 -21.344 6.890 -12.386 1.00 0.00 C ATOM 803 C ASN A 54 -21.239 8.163 -13.221 1.00 0.00 C ATOM 804 O ASN A 54 -21.241 9.271 -12.685 1.00 0.00 O ATOM 805 CB ASN A 54 -19.951 6.301 -12.157 1.00 0.00 C ATOM 806 CG ASN A 54 -19.573 6.265 -10.689 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.070 7.247 -10.142 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.813 5.130 -10.043 1.00 0.00 N ATOM 0 H ASN A 54 -21.709 5.197 -13.568 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.787 7.144 -11.423 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.916 5.290 -12.563 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.216 6.891 -12.704 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.579 5.047 -9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.231 4.341 -10.536 1.00 0.00 H new ATOM 815 N SER A 55 -21.148 7.995 -14.536 1.00 0.00 N ATOM 816 CA SER A 55 -21.040 9.130 -15.446 1.00 0.00 C ATOM 817 C SER A 55 -22.395 9.804 -15.638 1.00 0.00 C ATOM 818 O SER A 55 -22.501 11.031 -15.608 1.00 0.00 O ATOM 819 CB SER A 55 -20.486 8.675 -16.798 1.00 0.00 C ATOM 820 OG SER A 55 -19.435 9.522 -17.229 1.00 0.00 O ATOM 0 H SER A 55 -21.147 7.084 -14.995 1.00 0.00 H new ATOM 0 HA SER A 55 -20.354 9.854 -15.006 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.123 7.650 -16.720 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.284 8.674 -17.540 1.00 0.00 H new ATOM 0 HG SER A 55 -19.097 9.209 -18.094 1.00 0.00 H new ATOM 826 N LEU A 56 -23.428 8.993 -15.836 1.00 0.00 N ATOM 827 CA LEU A 56 -24.778 9.509 -16.034 1.00 0.00 C ATOM 828 C LEU A 56 -25.545 9.549 -14.716 1.00 0.00 C ATOM 829 O LEU A 56 -26.774 9.592 -14.702 1.00 0.00 O ATOM 830 CB LEU A 56 -25.532 8.647 -17.049 1.00 0.00 C ATOM 831 CG LEU A 56 -24.807 8.377 -18.368 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.579 7.366 -19.203 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.609 9.671 -19.143 1.00 0.00 C ATOM 0 H LEU A 56 -23.357 7.976 -15.864 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.698 10.526 -16.418 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.764 7.690 -16.582 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.483 9.131 -17.272 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.826 7.959 -18.143 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.049 7.186 -20.138 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.669 6.431 -18.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.573 7.756 -19.419 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.092 9.459 -20.079 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.579 10.118 -19.358 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.014 10.364 -18.548 1.00 0.00 H new ATOM 845 N GLY A 57 -24.808 9.538 -13.608 1.00 0.00 N ATOM 846 CA GLY A 57 -25.436 9.575 -12.300 1.00 0.00 C ATOM 847 C GLY A 57 -25.411 10.960 -11.685 1.00 0.00 C ATOM 848 O GLY A 57 -25.743 11.133 -10.512 1.00 0.00 O ATOM 0 H GLY A 57 -23.789 9.504 -13.594 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.469 9.238 -12.386 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.927 8.876 -11.636 1.00 0.00 H new ATOM 852 N VAL A 58 -25.013 11.951 -12.477 1.00 0.00 N ATOM 853 CA VAL A 58 -24.945 13.328 -12.003 1.00 0.00 C ATOM 854 C VAL A 58 -25.905 14.224 -12.777 1.00 0.00 C ATOM 855 O VAL A 58 -26.235 15.327 -12.338 1.00 0.00 O ATOM 856 CB VAL A 58 -23.518 13.895 -12.128 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.578 13.192 -11.161 1.00 0.00 C ATOM 858 CG2 VAL A 58 -23.018 13.767 -13.559 1.00 0.00 C ATOM 0 H VAL A 58 -24.733 11.826 -13.450 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.232 13.315 -10.952 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.542 14.954 -11.869 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.575 13.606 -11.263 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.929 13.340 -10.140 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.556 12.126 -11.386 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -22.009 14.172 -13.629 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -23.008 12.716 -13.848 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.679 14.321 -14.226 1.00 0.00 H new ATOM 868 N LEU A 59 -26.352 13.744 -13.932 1.00 0.00 N ATOM 869 CA LEU A 59 -27.277 14.501 -14.769 1.00 0.00 C ATOM 870 C LEU A 59 -28.724 14.158 -14.430 1.00 0.00 C ATOM 871 O LEU A 59 -29.065 12.993 -14.227 1.00 0.00 O ATOM 872 CB LEU A 59 -27.007 14.217 -16.248 1.00 0.00 C ATOM 873 CG LEU A 59 -25.677 14.733 -16.798 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.548 14.404 -18.277 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.553 16.233 -16.571 1.00 0.00 C ATOM 0 H LEU A 59 -26.089 12.834 -14.311 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.119 15.562 -14.574 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -27.048 13.139 -16.404 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.814 14.655 -16.835 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.867 14.236 -16.264 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.595 14.779 -18.651 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.592 13.324 -18.415 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.364 14.873 -18.827 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.601 16.584 -16.968 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.369 16.747 -17.079 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.600 16.444 -15.503 1.00 0.00 H new ATOM 887 N ASN A 60 -29.571 15.180 -14.372 1.00 0.00 N ATOM 888 CA ASN A 60 -30.982 14.987 -14.059 1.00 0.00 C ATOM 889 C ASN A 60 -31.716 14.342 -15.231 1.00 0.00 C ATOM 890 O ASN A 60 -31.199 14.287 -16.346 1.00 0.00 O ATOM 891 CB ASN A 60 -31.636 16.325 -13.708 1.00 0.00 C ATOM 892 CG ASN A 60 -31.397 17.381 -14.770 1.00 0.00 C ATOM 893 OD1 ASN A 60 -31.990 17.339 -15.848 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.525 18.336 -14.468 1.00 0.00 N ATOM 0 H ASN A 60 -29.305 16.151 -14.538 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.050 14.320 -13.199 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.709 16.179 -13.579 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.245 16.678 -12.754 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.324 19.074 -15.142 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.057 18.331 -13.562 1.00 0.00 H new ATOM 901 N GLY A 61 -32.925 13.854 -14.970 1.00 0.00 N ATOM 902 CA GLY A 61 -33.710 13.220 -16.012 1.00 0.00 C ATOM 903 C GLY A 61 -33.828 14.080 -17.254 1.00 0.00 C ATOM 904 O GLY A 61 -33.795 13.572 -18.375 1.00 0.00 O ATOM 0 H GLY A 61 -33.375 13.887 -14.055 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.254 12.266 -16.277 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.707 13.001 -15.629 1.00 0.00 H new ATOM 908 N ALA A 62 -33.967 15.387 -17.056 1.00 0.00 N ATOM 909 CA ALA A 62 -34.089 16.319 -18.170 1.00 0.00 C ATOM 910 C ALA A 62 -32.859 16.265 -19.070 1.00 0.00 C ATOM 911 O ALA A 62 -32.970 16.033 -20.273 1.00 0.00 O ATOM 912 CB ALA A 62 -34.305 17.734 -17.652 1.00 0.00 C ATOM 0 H ALA A 62 -33.998 15.824 -16.135 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.954 16.025 -18.765 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.394 18.420 -18.494 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.218 17.768 -17.057 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.457 18.028 -17.033 1.00 0.00 H new ATOM 918 N GLN A 63 -31.689 16.481 -18.478 1.00 0.00 N ATOM 919 CA GLN A 63 -30.439 16.457 -19.227 1.00 0.00 C ATOM 920 C GLN A 63 -30.222 15.097 -19.883 1.00 0.00 C ATOM 921 O GLN A 63 -29.907 15.011 -21.070 1.00 0.00 O ATOM 922 CB GLN A 63 -29.262 16.786 -18.308 1.00 0.00 C ATOM 923 CG GLN A 63 -29.334 18.179 -17.702 1.00 0.00 C ATOM 924 CD GLN A 63 -28.324 19.132 -18.311 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.558 19.782 -17.598 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.317 19.221 -19.635 1.00 0.00 N ATOM 0 H GLN A 63 -31.581 16.674 -17.482 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.501 17.212 -20.011 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.223 16.051 -17.504 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.334 16.692 -18.872 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.338 18.581 -17.842 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.164 18.113 -16.627 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.969 18.664 -20.187 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.659 19.846 -20.101 1.00 0.00 H new ATOM 935 N LEU A 64 -30.394 14.036 -19.102 1.00 0.00 N ATOM 936 CA LEU A 64 -30.217 12.678 -19.606 1.00 0.00 C ATOM 937 C LEU A 64 -31.150 12.409 -20.783 1.00 0.00 C ATOM 938 O LEU A 64 -30.784 11.717 -21.733 1.00 0.00 O ATOM 939 CB LEU A 64 -30.475 11.662 -18.493 1.00 0.00 C ATOM 940 CG LEU A 64 -30.439 10.190 -18.905 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.501 9.405 -18.001 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.838 9.592 -18.873 1.00 0.00 C ATOM 0 H LEU A 64 -30.656 14.090 -18.118 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.188 12.576 -19.951 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.734 11.817 -17.708 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.451 11.872 -18.056 1.00 0.00 H new ATOM 0 HG LEU A 64 -30.063 10.128 -19.926 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.489 8.360 -18.310 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.495 9.817 -18.075 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.847 9.475 -16.970 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.793 8.544 -19.169 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.243 9.667 -17.864 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.482 10.136 -19.563 1.00 0.00 H new ATOM 954 N PHE A 65 -32.357 12.961 -20.713 1.00 0.00 N ATOM 955 CA PHE A 65 -33.342 12.781 -21.773 1.00 0.00 C ATOM 956 C PHE A 65 -32.900 13.488 -23.051 1.00 0.00 C ATOM 957 O PHE A 65 -33.355 13.155 -24.146 1.00 0.00 O ATOM 958 CB PHE A 65 -34.705 13.315 -21.327 1.00 0.00 C ATOM 959 CG PHE A 65 -35.526 12.308 -20.573 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.913 11.328 -19.808 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.910 12.340 -20.630 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.666 10.399 -19.115 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.668 11.415 -19.938 1.00 0.00 C ATOM 964 CZ PHE A 65 -37.045 10.444 -19.179 1.00 0.00 C ATOM 0 H PHE A 65 -32.676 13.536 -19.934 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.427 11.714 -21.979 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.554 14.193 -20.699 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.263 13.643 -22.204 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.835 11.290 -19.753 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.402 13.097 -21.222 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.177 9.639 -18.524 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.746 11.451 -19.991 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.635 9.721 -18.636 1.00 0.00 H new ATOM 974 N SER A 66 -32.012 14.465 -22.903 1.00 0.00 N ATOM 975 CA SER A 66 -31.512 15.222 -24.045 1.00 0.00 C ATOM 976 C SER A 66 -30.397 14.460 -24.756 1.00 0.00 C ATOM 977 O SER A 66 -30.191 14.618 -25.960 1.00 0.00 O ATOM 978 CB SER A 66 -31.000 16.591 -23.591 1.00 0.00 C ATOM 979 OG SER A 66 -30.641 17.395 -24.702 1.00 0.00 O ATOM 0 H SER A 66 -31.624 14.751 -22.004 1.00 0.00 H new ATOM 0 HA SER A 66 -32.336 15.363 -24.745 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.770 17.095 -23.007 1.00 0.00 H new ATOM 0 HB3 SER A 66 -30.137 16.462 -22.938 1.00 0.00 H new ATOM 0 HG SER A 66 -30.319 18.265 -24.386 1.00 0.00 H new ATOM 985 N LEU A 67 -29.681 13.633 -24.002 1.00 0.00 N ATOM 986 CA LEU A 67 -28.587 12.845 -24.559 1.00 0.00 C ATOM 987 C LEU A 67 -29.114 11.783 -25.519 1.00 0.00 C ATOM 988 O LEU A 67 -29.950 10.959 -25.151 1.00 0.00 O ATOM 989 CB LEU A 67 -27.788 12.181 -23.436 1.00 0.00 C ATOM 990 CG LEU A 67 -27.236 13.118 -22.361 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.573 12.322 -21.248 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.254 14.108 -22.969 1.00 0.00 C ATOM 0 H LEU A 67 -29.838 13.491 -23.004 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.933 13.518 -25.114 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.425 11.441 -22.952 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.953 11.640 -23.882 1.00 0.00 H new ATOM 0 HG LEU A 67 -28.067 13.678 -21.933 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.186 13.006 -20.492 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.304 11.654 -20.793 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.752 11.735 -21.660 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.872 14.767 -22.189 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.425 13.566 -23.424 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.760 14.702 -23.730 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.618 11.809 -26.752 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.038 10.848 -27.765 1.00 0.00 C ATOM 1006 C ASN A 68 -28.100 9.645 -27.796 1.00 0.00 C ATOM 1007 O ASN A 68 -27.209 9.517 -26.956 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.079 11.512 -29.143 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.388 12.995 -29.060 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.546 13.394 -28.942 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.348 13.819 -29.123 1.00 0.00 N ATOM 0 H ASN A 68 -27.925 12.485 -27.073 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.038 10.500 -27.507 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.119 11.371 -29.640 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.832 11.020 -29.758 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.493 14.827 -29.073 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.405 13.443 -29.221 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.305 8.766 -28.771 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.477 7.575 -28.915 1.00 0.00 C ATOM 1020 C LYS A 69 -26.010 7.950 -29.100 1.00 0.00 C ATOM 1021 O LYS A 69 -25.116 7.143 -28.845 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.954 6.737 -30.103 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.489 5.292 -30.055 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.754 4.577 -31.369 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.384 3.104 -31.287 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.649 2.393 -32.568 1.00 0.00 N ATOM 0 H LYS A 69 -29.039 8.856 -29.474 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.571 6.986 -28.002 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.043 6.758 -30.138 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.597 7.194 -31.026 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.423 5.259 -29.830 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.001 4.771 -29.246 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.807 4.674 -31.631 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.182 5.053 -32.165 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.329 3.008 -31.030 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.951 2.631 -30.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.384 1.392 -32.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.660 2.462 -32.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.088 2.827 -33.329 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.771 9.179 -29.543 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.412 9.662 -29.760 1.00 0.00 C ATOM 1042 C ASP A 70 -23.811 10.194 -28.463 1.00 0.00 C ATOM 1043 O ASP A 70 -22.802 9.681 -27.979 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.401 10.757 -30.828 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.399 10.480 -31.932 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -23.559 9.460 -32.635 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -22.457 11.282 -32.092 1.00 0.00 O ATOM 0 H ASP A 70 -26.500 9.859 -29.759 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.806 8.824 -30.104 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.397 10.849 -31.260 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.167 11.714 -30.361 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.437 11.226 -27.906 1.00 0.00 N ATOM 1053 CA GLU A 71 -23.962 11.828 -26.665 1.00 0.00 C ATOM 1054 C GLU A 71 -23.765 10.767 -25.586 1.00 0.00 C ATOM 1055 O GLU A 71 -22.767 10.779 -24.864 1.00 0.00 O ATOM 1056 CB GLU A 71 -24.950 12.890 -26.177 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.167 14.021 -27.169 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.424 15.285 -26.784 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.224 15.191 -26.452 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -25.043 16.369 -26.816 1.00 0.00 O ATOM 0 H GLU A 71 -25.273 11.662 -28.294 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.000 12.301 -26.865 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.908 12.414 -25.966 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.588 13.307 -25.237 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.841 13.699 -28.158 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.233 14.238 -27.240 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.722 9.852 -25.483 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.655 8.784 -24.492 1.00 0.00 C ATOM 1069 C LEU A 72 -23.537 7.801 -24.825 1.00 0.00 C ATOM 1070 O LEU A 72 -22.932 7.208 -23.932 1.00 0.00 O ATOM 1071 CB LEU A 72 -25.993 8.045 -24.418 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.047 8.658 -23.495 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.431 8.541 -24.114 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.014 7.988 -22.129 1.00 0.00 C ATOM 0 H LEU A 72 -25.553 9.828 -26.073 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.441 9.235 -23.523 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.409 7.986 -25.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.803 7.023 -24.092 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.817 9.716 -23.365 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.168 8.982 -23.443 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.448 9.067 -25.069 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.670 7.490 -24.274 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.771 8.437 -21.485 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.218 6.923 -22.241 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.030 8.124 -21.681 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.267 7.636 -26.116 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.220 6.727 -26.567 1.00 0.00 C ATOM 1088 C ARG A 73 -20.837 7.315 -26.302 1.00 0.00 C ATOM 1089 O ARG A 73 -19.848 6.587 -26.210 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.382 6.429 -28.059 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.227 5.638 -28.650 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.703 4.685 -29.736 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.717 3.647 -30.024 1.00 0.00 N ATOM 1094 CZ ARG A 73 -19.600 3.864 -30.709 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -19.329 5.075 -31.175 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -18.752 2.868 -30.930 1.00 0.00 N ATOM 0 H ARG A 73 -23.759 8.120 -26.868 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.314 5.798 -26.005 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.307 5.874 -28.212 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.482 7.370 -28.600 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.489 6.324 -29.065 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.730 5.074 -27.861 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.639 4.220 -29.426 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.913 5.248 -30.646 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.896 2.704 -29.680 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.979 5.843 -31.008 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.470 5.239 -31.701 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.958 1.935 -30.574 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.894 3.036 -31.456 1.00 0.00 H new ATOM 1110 N THR A 74 -20.776 8.637 -26.180 1.00 0.00 N ATOM 1111 CA THR A 74 -19.515 9.323 -25.927 1.00 0.00 C ATOM 1112 C THR A 74 -19.159 9.292 -24.445 1.00 0.00 C ATOM 1113 O THR A 74 -18.029 8.972 -24.074 1.00 0.00 O ATOM 1114 CB THR A 74 -19.568 10.788 -26.400 1.00 0.00 C ATOM 1115 OG1 THR A 74 -20.924 11.172 -26.654 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.737 10.981 -27.659 1.00 0.00 C ATOM 0 H THR A 74 -21.585 9.254 -26.252 1.00 0.00 H new ATOM 0 HA THR A 74 -18.748 8.793 -26.493 1.00 0.00 H new ATOM 0 HB THR A 74 -19.154 11.416 -25.611 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.393 11.300 -25.803 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.790 12.023 -27.974 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.700 10.716 -27.454 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.125 10.342 -28.452 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.130 9.624 -23.601 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.919 9.632 -22.158 1.00 0.00 C ATOM 1126 C VAL A 75 -19.619 8.231 -21.639 1.00 0.00 C ATOM 1127 O VAL A 75 -18.815 8.057 -20.722 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.147 10.191 -21.415 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.388 9.375 -21.744 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.896 10.214 -19.915 1.00 0.00 C ATOM 0 H VAL A 75 -21.071 9.891 -23.891 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.062 10.278 -21.967 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.317 11.215 -21.748 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.245 9.785 -21.210 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.576 9.415 -22.817 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.233 8.339 -21.441 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.774 10.612 -19.405 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.700 9.201 -19.563 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.034 10.846 -19.700 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.269 7.235 -22.231 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.071 5.847 -21.828 1.00 0.00 C ATOM 1142 C CYS A 76 -20.204 4.910 -23.023 1.00 0.00 C ATOM 1143 O CYS A 76 -20.868 5.216 -24.014 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.081 5.460 -20.746 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.807 5.704 -21.227 1.00 0.00 S ATOM 0 H CYS A 76 -20.937 7.362 -22.991 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.063 5.751 -21.425 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.933 4.413 -20.483 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.879 6.045 -19.849 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.856 6.318 -22.372 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.555 3.739 -22.933 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.584 2.733 -23.999 1.00 0.00 C ATOM 1153 C PRO A 77 -20.953 2.076 -24.138 1.00 0.00 C ATOM 1154 O PRO A 77 -21.276 1.512 -25.183 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.542 1.707 -23.547 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.484 1.853 -22.065 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.744 3.307 -21.782 1.00 0.00 C ATOM 0 HA PRO A 77 -19.377 3.169 -24.977 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.831 0.696 -23.834 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.571 1.902 -24.002 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.229 1.222 -21.581 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.511 1.549 -21.681 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.277 3.444 -20.841 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.816 3.874 -21.709 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.752 2.153 -23.079 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.086 1.564 -23.085 1.00 0.00 C ATOM 1167 C GLU A 78 -24.139 2.606 -23.453 1.00 0.00 C ATOM 1168 O GLU A 78 -25.308 2.478 -23.091 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.407 0.959 -21.717 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.423 -0.112 -21.278 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.275 -1.222 -22.301 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -23.288 -1.885 -22.607 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -21.147 -1.427 -22.795 1.00 0.00 O ATOM 0 H GLU A 78 -21.499 2.617 -22.207 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.103 0.774 -23.836 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.421 1.754 -20.972 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.409 0.530 -21.745 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.450 0.345 -21.100 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.754 -0.538 -20.331 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.714 3.639 -24.174 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.631 4.688 -24.579 1.00 0.00 C ATOM 1182 C GLY A 79 -25.812 4.155 -25.366 1.00 0.00 C ATOM 1183 O GLY A 79 -26.961 4.313 -24.957 1.00 0.00 O ATOM 0 H GLY A 79 -22.751 3.768 -24.485 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.994 5.210 -23.694 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.096 5.420 -25.184 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.528 3.523 -26.500 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.575 2.965 -27.347 1.00 0.00 C ATOM 1189 C ALA A 80 -27.513 2.071 -26.542 1.00 0.00 C ATOM 1190 O ALA A 80 -28.694 1.944 -26.865 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.961 2.186 -28.500 1.00 0.00 C ATOM 0 H ALA A 80 -24.581 3.385 -26.853 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.160 3.791 -27.752 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.754 1.775 -29.124 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.337 2.851 -29.097 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.351 1.373 -28.106 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.979 1.454 -25.493 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.769 0.570 -24.644 1.00 0.00 C ATOM 1199 C ARG A 81 -28.625 1.375 -23.670 1.00 0.00 C ATOM 1200 O ARG A 81 -29.740 0.977 -23.333 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.853 -0.380 -23.870 1.00 0.00 C ATOM 1202 CG ARG A 81 -25.996 -1.262 -24.763 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.763 -2.484 -25.242 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.003 -3.260 -26.218 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.492 -4.318 -26.857 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -27.733 -4.722 -26.624 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -25.738 -4.972 -27.731 1.00 0.00 N ATOM 0 H ARG A 81 -26.004 1.550 -25.211 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.430 -0.014 -25.284 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.203 0.205 -23.220 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.462 -1.013 -23.225 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.653 -0.687 -25.623 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.108 -1.580 -24.217 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.008 -3.116 -24.388 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.707 -2.168 -25.686 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.045 -2.975 -26.420 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -28.315 -4.221 -25.953 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.106 -5.534 -27.116 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -24.783 -4.663 -27.913 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.113 -5.784 -28.221 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.094 2.508 -23.220 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.809 3.368 -22.285 1.00 0.00 C ATOM 1223 C VAL A 82 -29.908 4.154 -22.992 1.00 0.00 C ATOM 1224 O VAL A 82 -31.052 4.187 -22.537 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.854 4.356 -21.589 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.624 5.271 -20.649 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.764 3.604 -20.840 1.00 0.00 C ATOM 0 H VAL A 82 -27.172 2.851 -23.488 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.257 2.717 -21.535 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.380 4.974 -22.351 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.933 5.962 -20.166 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.364 5.835 -21.216 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.128 4.672 -19.890 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.098 4.317 -20.354 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.218 2.960 -20.087 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.194 2.995 -21.542 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.554 4.784 -24.106 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.510 5.571 -24.876 1.00 0.00 C ATOM 1239 C TYR A 83 -31.747 4.746 -25.216 1.00 0.00 C ATOM 1240 O TYR A 83 -32.875 5.227 -25.115 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.860 6.089 -26.160 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.816 6.831 -27.066 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.257 8.109 -26.747 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.277 6.253 -28.243 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.132 8.789 -27.572 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.150 6.927 -29.075 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.575 8.194 -28.735 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.445 8.869 -29.560 1.00 0.00 O ATOM 0 H TYR A 83 -28.612 4.765 -24.496 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.818 6.419 -24.265 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.034 6.750 -25.898 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.434 5.248 -26.706 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.910 8.579 -25.839 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.947 5.260 -28.512 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.467 9.781 -27.308 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.498 6.464 -29.987 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.658 8.311 -30.337 1.00 0.00 H new ATOM 1258 N SER A 84 -31.525 3.499 -25.620 1.00 0.00 N ATOM 1259 CA SER A 84 -32.621 2.605 -25.979 1.00 0.00 C ATOM 1260 C SER A 84 -33.562 2.398 -24.796 1.00 0.00 C ATOM 1261 O SER A 84 -34.729 2.049 -24.973 1.00 0.00 O ATOM 1262 CB SER A 84 -32.073 1.257 -26.451 1.00 0.00 C ATOM 1263 OG SER A 84 -33.022 0.574 -27.252 1.00 0.00 O ATOM 0 H SER A 84 -30.597 3.085 -25.707 1.00 0.00 H new ATOM 0 HA SER A 84 -33.183 3.066 -26.792 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.156 1.412 -27.020 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.812 0.644 -25.588 1.00 0.00 H new ATOM 0 HG SER A 84 -32.648 -0.284 -27.543 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.046 2.617 -23.591 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.840 2.453 -22.379 1.00 0.00 C ATOM 1271 C GLN A 85 -34.519 3.763 -21.993 1.00 0.00 C ATOM 1272 O GLN A 85 -35.536 3.765 -21.298 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.958 1.964 -21.229 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.795 0.453 -21.188 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.123 -0.277 -21.143 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.339 -1.243 -21.875 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -35.022 0.183 -20.281 1.00 0.00 N ATOM 0 H GLN A 85 -32.082 2.908 -23.428 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.612 1.709 -22.577 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -31.974 2.425 -21.315 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.386 2.301 -20.285 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.236 0.128 -22.065 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.204 0.179 -20.314 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.800 0.987 -19.693 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.934 -0.267 -20.206 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.951 4.875 -22.448 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.503 6.191 -22.150 1.00 0.00 C ATOM 1288 C ILE A 86 -35.552 6.593 -23.181 1.00 0.00 C ATOM 1289 O ILE A 86 -36.488 7.333 -22.876 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.402 7.267 -22.108 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.343 6.903 -21.065 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.005 8.630 -21.806 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.030 7.628 -21.260 1.00 0.00 C ATOM 0 H ILE A 86 -33.109 4.891 -23.024 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.970 6.122 -21.168 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.921 7.313 -23.085 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.730 7.130 -20.072 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.164 5.828 -21.100 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.214 9.380 -21.780 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.725 8.889 -22.582 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.508 8.599 -20.840 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.327 7.322 -20.486 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.621 7.382 -22.240 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.195 8.703 -21.195 1.00 0.00 H new ATOM 1305 N THR A 87 -35.391 6.099 -24.405 1.00 0.00 N ATOM 1306 CA THR A 87 -36.324 6.405 -25.482 1.00 0.00 C ATOM 1307 C THR A 87 -37.747 6.007 -25.107 1.00 0.00 C ATOM 1308 O THR A 87 -38.710 6.670 -25.492 1.00 0.00 O ATOM 1309 CB THR A 87 -35.930 5.689 -26.787 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.824 6.065 -27.841 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.959 4.179 -26.606 1.00 0.00 C ATOM 0 H THR A 87 -34.623 5.485 -24.675 1.00 0.00 H new ATOM 0 HA THR A 87 -36.281 7.483 -25.640 1.00 0.00 H new ATOM 0 HB THR A 87 -34.915 5.988 -27.047 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.566 5.607 -28.668 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.677 3.695 -27.541 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.257 3.893 -25.823 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.964 3.866 -26.324 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.873 4.920 -24.352 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.179 4.434 -23.923 1.00 0.00 C ATOM 1321 C VAL A 88 -39.781 5.344 -22.858 1.00 0.00 C ATOM 1322 O VAL A 88 -41.000 5.404 -22.696 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.089 3.001 -23.366 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.187 2.959 -22.142 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.476 2.471 -23.034 1.00 0.00 C ATOM 0 H VAL A 88 -37.086 4.359 -24.025 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.822 4.434 -24.803 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.653 2.359 -24.131 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.136 1.938 -21.763 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.187 3.295 -22.415 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.591 3.613 -21.370 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.394 1.457 -22.642 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.941 3.113 -22.286 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.088 2.462 -23.936 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.919 6.052 -22.136 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.367 6.960 -21.086 1.00 0.00 C ATOM 1337 C GLN A 89 -39.894 8.262 -21.681 1.00 0.00 C ATOM 1338 O GLN A 89 -40.942 8.763 -21.274 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.222 7.256 -20.116 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.548 6.007 -19.571 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.536 5.022 -18.979 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.492 3.827 -19.273 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.436 5.519 -18.138 1.00 0.00 N ATOM 0 H GLN A 89 -37.907 6.015 -22.258 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.178 6.475 -20.543 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.477 7.869 -20.623 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.606 7.845 -19.283 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.991 5.520 -20.372 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.824 6.293 -18.808 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.437 6.516 -17.922 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.127 4.904 -17.708 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.160 8.805 -22.647 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.553 10.048 -23.299 1.00 0.00 C ATOM 1354 C LYS A 90 -40.842 9.862 -24.093 1.00 0.00 C ATOM 1355 O LYS A 90 -41.713 10.732 -24.094 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.437 10.537 -24.225 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.178 10.962 -23.489 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.931 10.682 -24.310 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.855 11.584 -25.533 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.614 11.022 -26.685 1.00 0.00 N ATOM 0 H LYS A 90 -38.290 8.403 -22.995 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.728 10.795 -22.525 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.186 9.743 -24.928 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.806 11.378 -24.812 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.232 12.026 -23.259 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.115 10.433 -22.538 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.046 10.830 -23.691 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.928 9.639 -24.625 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.250 12.569 -25.283 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.812 11.722 -25.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.169 11.325 -27.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.608 9.983 -26.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.595 11.365 -26.654 1.00 0.00 H new