USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 373 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 41 CYS SG : rot -173:sc= -1.99! USER MOD Set 1.2: A 44 CYS SG : rot -58:sc= -3.12! USER MOD Set 1.3: A 53 MET CE :methyl -141:sc= -0.411 (180deg=-0.993) USER MOD Set 1.4: A 64 HIS : no HE2:sc= 0.862 K(o=-12,f=-29!) USER MOD Set 1.5: A 67 CYS SG : rot -158:sc= -7.29! USER MOD Set 2.1: A 56 CYS SG : rot 163:sc= -4.37! USER MOD Set 2.2: A 59 CYS SG : rot 100:sc= -1.18! USER MOD Set 2.3: A 82 CYS SG : rot -157:sc= -6.63! USER MOD Set 2.4: A 85 CYS SG : rot 87:sc= -7.03! USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 0.117 (180deg=-0.0395) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 45 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.054) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 133:sc= -0.795 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 170:sc= -1.1 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 510 N LYS A 38 -13.541 9.784 3.224 1.00 44.12 N ATOM 511 CA LYS A 38 -13.534 8.352 2.911 1.00 54.34 C ATOM 512 C LYS A 38 -12.137 8.003 2.384 1.00 63.23 C ATOM 513 O LYS A 38 -11.681 8.613 1.414 1.00 21.33 O ATOM 514 CB LYS A 38 -14.630 8.006 1.855 1.00 41.54 C ATOM 515 CG LYS A 38 -14.678 6.519 1.415 1.00 31.52 C ATOM 516 CD LYS A 38 -14.965 5.536 2.582 1.00 2.32 C ATOM 517 CE LYS A 38 -14.991 4.066 2.126 1.00 22.25 C ATOM 518 NZ LYS A 38 -15.055 3.123 3.275 1.00 54.44 N ATOM 0 HA LYS A 38 -13.760 7.768 3.803 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -15.603 8.279 2.262 1.00 41.54 H new ATOM 0 HB3 LYS A 38 -14.469 8.624 0.972 1.00 41.54 H new ATOM 0 HG2 LYS A 38 -15.447 6.399 0.652 1.00 31.52 H new ATOM 0 HG3 LYS A 38 -13.727 6.254 0.953 1.00 31.52 H new ATOM 0 HD2 LYS A 38 -14.204 5.660 3.352 1.00 2.32 H new ATOM 0 HD3 LYS A 38 -15.923 5.788 3.037 1.00 2.32 H new ATOM 0 HE2 LYS A 38 -15.851 3.904 1.477 1.00 22.25 H new ATOM 0 HE3 LYS A 38 -14.100 3.855 1.534 1.00 22.25 H new ATOM 0 HZ1 LYS A 38 -15.258 2.164 2.926 1.00 54.44 H new ATOM 0 HZ2 LYS A 38 -14.144 3.124 3.776 1.00 54.44 H new ATOM 0 HZ3 LYS A 38 -15.809 3.421 3.927 1.00 54.44 H new ATOM 532 N TYR A 39 -11.468 7.047 3.048 1.00 64.00 N ATOM 533 CA TYR A 39 -10.115 6.594 2.678 1.00 74.11 C ATOM 534 C TYR A 39 -10.165 5.814 1.348 1.00 61.55 C ATOM 535 O TYR A 39 -10.501 4.637 1.330 1.00 11.41 O ATOM 536 CB TYR A 39 -9.516 5.730 3.822 1.00 23.12 C ATOM 537 CG TYR A 39 -9.214 6.518 5.116 1.00 31.43 C ATOM 538 CD1 TYR A 39 -10.223 6.814 6.038 1.00 14.02 C ATOM 539 CD2 TYR A 39 -7.919 6.954 5.413 1.00 2.14 C ATOM 540 CE1 TYR A 39 -9.948 7.510 7.202 1.00 60.53 C ATOM 541 CE2 TYR A 39 -7.644 7.651 6.574 1.00 1.14 C ATOM 542 CZ TYR A 39 -8.660 7.922 7.463 1.00 21.14 C ATOM 543 OH TYR A 39 -8.383 8.607 8.625 1.00 42.12 O ATOM 0 H TYR A 39 -11.851 6.564 3.860 1.00 64.00 H new ATOM 0 HA TYR A 39 -9.467 7.459 2.534 1.00 74.11 H new ATOM 0 HB2 TYR A 39 -10.210 4.923 4.055 1.00 23.12 H new ATOM 0 HB3 TYR A 39 -8.595 5.266 3.468 1.00 23.12 H new ATOM 0 HD1 TYR A 39 -11.235 6.494 5.838 1.00 14.02 H new ATOM 0 HD2 TYR A 39 -7.118 6.742 4.721 1.00 2.14 H new ATOM 0 HE1 TYR A 39 -10.740 7.729 7.903 1.00 60.53 H new ATOM 0 HE2 TYR A 39 -6.637 7.982 6.783 1.00 1.14 H new ATOM 0 HH TYR A 39 -7.428 8.824 8.657 1.00 42.12 H new ATOM 553 N ILE A 40 -9.898 6.508 0.234 1.00 33.45 N ATOM 554 CA ILE A 40 -9.931 5.926 -1.120 1.00 64.12 C ATOM 555 C ILE A 40 -8.495 5.781 -1.656 1.00 22.43 C ATOM 556 O ILE A 40 -7.662 6.672 -1.465 1.00 70.43 O ATOM 557 CB ILE A 40 -10.802 6.829 -2.078 1.00 11.35 C ATOM 558 CG1 ILE A 40 -12.295 6.868 -1.597 1.00 41.34 C ATOM 559 CG2 ILE A 40 -10.711 6.385 -3.554 1.00 43.42 C ATOM 560 CD1 ILE A 40 -13.240 7.695 -2.463 1.00 34.42 C ATOM 0 H ILE A 40 -9.651 7.498 0.244 1.00 33.45 H new ATOM 0 HA ILE A 40 -10.388 4.937 -1.079 1.00 64.12 H new ATOM 0 HB ILE A 40 -10.390 7.837 -2.027 1.00 11.35 H new ATOM 0 HG12 ILE A 40 -12.671 5.846 -1.552 1.00 41.34 H new ATOM 0 HG13 ILE A 40 -12.322 7.262 -0.581 1.00 41.34 H new ATOM 0 HG21 ILE A 40 -11.328 7.039 -4.169 1.00 43.42 H new ATOM 0 HG22 ILE A 40 -9.675 6.443 -3.888 1.00 43.42 H new ATOM 0 HG23 ILE A 40 -11.065 5.358 -3.648 1.00 43.42 H new ATOM 0 HD11 ILE A 40 -14.245 7.656 -2.044 1.00 34.42 H new ATOM 0 HD12 ILE A 40 -12.898 8.730 -2.489 1.00 34.42 H new ATOM 0 HD13 ILE A 40 -13.253 7.291 -3.475 1.00 34.42 H new ATOM 572 N CYS A 41 -8.225 4.650 -2.335 1.00 62.25 N ATOM 573 CA CYS A 41 -6.921 4.356 -2.917 1.00 11.23 C ATOM 574 C CYS A 41 -6.777 5.176 -4.207 1.00 13.34 C ATOM 575 O CYS A 41 -7.310 4.808 -5.252 1.00 23.25 O ATOM 576 CB CYS A 41 -6.780 2.844 -3.167 1.00 61.41 C ATOM 577 SG CYS A 41 -5.328 2.352 -4.153 1.00 2.01 S ATOM 0 H CYS A 41 -8.916 3.916 -2.491 1.00 62.25 H new ATOM 0 HA CYS A 41 -6.119 4.635 -2.234 1.00 11.23 H new ATOM 0 HB2 CYS A 41 -6.734 2.336 -2.204 1.00 61.41 H new ATOM 0 HB3 CYS A 41 -7.679 2.490 -3.672 1.00 61.41 H new ATOM 0 HG CYS A 41 -5.396 1.082 -4.421 1.00 2.01 H new ATOM 582 N HIS A 42 -6.090 6.313 -4.070 1.00 12.13 N ATOM 583 CA HIS A 42 -6.008 7.366 -5.106 1.00 23.24 C ATOM 584 C HIS A 42 -5.279 6.896 -6.383 1.00 2.02 C ATOM 585 O HIS A 42 -5.503 7.462 -7.457 1.00 43.24 O ATOM 586 CB HIS A 42 -5.353 8.634 -4.512 1.00 1.32 C ATOM 587 CG HIS A 42 -6.093 9.167 -3.322 1.00 43.33 C ATOM 588 ND1 HIS A 42 -5.578 9.134 -2.053 1.00 51.44 N ATOM 589 CD2 HIS A 42 -7.322 9.726 -3.216 1.00 65.44 C ATOM 590 CE1 HIS A 42 -6.460 9.635 -1.214 1.00 64.24 C ATOM 591 NE2 HIS A 42 -7.526 10.004 -1.897 1.00 64.22 N ATOM 0 H HIS A 42 -5.564 6.539 -3.226 1.00 12.13 H new ATOM 0 HA HIS A 42 -7.025 7.603 -5.417 1.00 23.24 H new ATOM 0 HB2 HIS A 42 -4.327 8.406 -4.224 1.00 1.32 H new ATOM 0 HB3 HIS A 42 -5.305 9.406 -5.280 1.00 1.32 H new ATOM 0 HD2 HIS A 42 -8.012 9.916 -4.025 1.00 65.44 H new ATOM 0 HE1 HIS A 42 -6.332 9.728 -0.146 1.00 64.24 H new ATOM 0 HE2 HIS A 42 -8.366 10.428 -1.503 1.00 64.22 H new ATOM 600 N ILE A 43 -4.397 5.878 -6.255 1.00 33.23 N ATOM 601 CA ILE A 43 -3.792 5.184 -7.416 1.00 21.32 C ATOM 602 C ILE A 43 -4.878 4.536 -8.311 1.00 40.24 C ATOM 603 O ILE A 43 -4.813 4.642 -9.547 1.00 20.51 O ATOM 604 CB ILE A 43 -2.741 4.086 -6.988 1.00 11.02 C ATOM 605 CG1 ILE A 43 -1.596 4.702 -6.114 1.00 62.43 C ATOM 606 CG2 ILE A 43 -2.163 3.337 -8.222 1.00 72.33 C ATOM 607 CD1 ILE A 43 -0.499 3.723 -5.715 1.00 42.12 C ATOM 0 H ILE A 43 -4.087 5.517 -5.353 1.00 33.23 H new ATOM 0 HA ILE A 43 -3.265 5.951 -7.983 1.00 21.32 H new ATOM 0 HB ILE A 43 -3.268 3.354 -6.377 1.00 11.02 H new ATOM 0 HG12 ILE A 43 -1.144 5.528 -6.663 1.00 62.43 H new ATOM 0 HG13 ILE A 43 -2.035 5.122 -5.209 1.00 62.43 H new ATOM 0 HG21 ILE A 43 -1.443 2.589 -7.889 1.00 72.33 H new ATOM 0 HG22 ILE A 43 -2.973 2.846 -8.762 1.00 72.33 H new ATOM 0 HG23 ILE A 43 -1.667 4.050 -8.881 1.00 72.33 H new ATOM 0 HD11 ILE A 43 0.248 4.240 -5.113 1.00 42.12 H new ATOM 0 HD12 ILE A 43 -0.932 2.908 -5.135 1.00 42.12 H new ATOM 0 HD13 ILE A 43 -0.027 3.320 -6.611 1.00 42.12 H new ATOM 619 N CYS A 44 -5.889 3.880 -7.693 1.00 71.35 N ATOM 620 CA CYS A 44 -6.929 3.156 -8.451 1.00 74.41 C ATOM 621 C CYS A 44 -8.276 3.916 -8.429 1.00 65.12 C ATOM 622 O CYS A 44 -9.274 3.406 -8.928 1.00 52.12 O ATOM 623 CB CYS A 44 -7.091 1.727 -7.886 1.00 40.12 C ATOM 624 SG CYS A 44 -7.510 1.658 -6.124 1.00 22.13 S ATOM 0 H CYS A 44 -6.003 3.839 -6.680 1.00 71.35 H new ATOM 0 HA CYS A 44 -6.613 3.090 -9.492 1.00 74.41 H new ATOM 0 HB2 CYS A 44 -7.868 1.212 -8.452 1.00 40.12 H new ATOM 0 HB3 CYS A 44 -6.163 1.179 -8.047 1.00 40.12 H new ATOM 0 HG CYS A 44 -6.596 2.275 -5.436 1.00 22.13 H new ATOM 629 N ASN A 45 -8.267 5.124 -7.814 1.00 0.45 N ATOM 630 CA ASN A 45 -9.446 6.035 -7.634 1.00 73.43 C ATOM 631 C ASN A 45 -10.652 5.368 -6.920 1.00 70.03 C ATOM 632 O ASN A 45 -11.727 5.971 -6.812 1.00 52.04 O ATOM 633 CB ASN A 45 -9.879 6.719 -8.983 1.00 13.33 C ATOM 634 CG ASN A 45 -10.854 5.912 -9.871 1.00 74.24 C ATOM 635 OD1 ASN A 45 -12.072 6.033 -9.739 1.00 34.53 O ATOM 636 ND2 ASN A 45 -10.325 5.110 -10.782 1.00 53.50 N ATOM 0 H ASN A 45 -7.414 5.513 -7.412 1.00 0.45 H new ATOM 0 HA ASN A 45 -9.099 6.819 -6.961 1.00 73.43 H new ATOM 0 HB2 ASN A 45 -10.342 7.678 -8.749 1.00 13.33 H new ATOM 0 HB3 ASN A 45 -8.981 6.931 -9.564 1.00 13.33 H new ATOM 0 HD21 ASN A 45 -10.931 4.570 -11.400 1.00 53.50 H new ATOM 0 HD22 ASN A 45 -9.311 5.032 -10.866 1.00 53.50 H new ATOM 643 N ARG A 46 -10.446 4.154 -6.378 1.00 24.32 N ATOM 644 CA ARG A 46 -11.510 3.311 -5.812 1.00 72.33 C ATOM 645 C ARG A 46 -11.025 2.724 -4.476 1.00 53.14 C ATOM 646 O ARG A 46 -9.832 2.450 -4.306 1.00 41.13 O ATOM 647 CB ARG A 46 -11.856 2.162 -6.809 1.00 4.42 C ATOM 648 CG ARG A 46 -12.349 2.628 -8.199 1.00 41.42 C ATOM 649 CD ARG A 46 -12.458 1.488 -9.227 1.00 64.23 C ATOM 650 NE ARG A 46 -12.897 1.986 -10.546 1.00 12.51 N ATOM 651 CZ ARG A 46 -13.235 1.214 -11.601 1.00 74.31 C ATOM 652 NH1 ARG A 46 -13.192 -0.103 -11.511 1.00 54.42 N ATOM 653 NH2 ARG A 46 -13.606 1.773 -12.741 1.00 65.34 N ATOM 0 H ARG A 46 -9.522 3.727 -6.321 1.00 24.32 H new ATOM 0 HA ARG A 46 -12.406 3.908 -5.642 1.00 72.33 H new ATOM 0 HB2 ARG A 46 -10.971 1.540 -6.944 1.00 4.42 H new ATOM 0 HB3 ARG A 46 -12.624 1.531 -6.361 1.00 4.42 H new ATOM 0 HG2 ARG A 46 -13.324 3.102 -8.089 1.00 41.42 H new ATOM 0 HG3 ARG A 46 -11.667 3.387 -8.582 1.00 41.42 H new ATOM 0 HD2 ARG A 46 -11.492 0.994 -9.327 1.00 64.23 H new ATOM 0 HD3 ARG A 46 -13.163 0.739 -8.867 1.00 64.23 H new ATOM 0 HE ARG A 46 -12.949 2.997 -10.670 1.00 12.51 H new ATOM 0 HH11 ARG A 46 -12.902 -0.545 -10.639 1.00 54.42 H new ATOM 0 HH12 ARG A 46 -13.449 -0.678 -12.313 1.00 54.42 H new ATOM 0 HH21 ARG A 46 -13.637 2.789 -12.824 1.00 65.34 H new ATOM 0 HH22 ARG A 46 -13.861 1.188 -13.537 1.00 65.34 H new ATOM 667 N GLY A 47 -11.953 2.551 -3.525 1.00 21.14 N ATOM 668 CA GLY A 47 -11.658 1.893 -2.247 1.00 42.31 C ATOM 669 C GLY A 47 -12.087 0.426 -2.255 1.00 11.22 C ATOM 670 O GLY A 47 -12.807 -0.013 -1.353 1.00 51.45 O ATOM 0 H GLY A 47 -12.920 2.860 -3.619 1.00 21.14 H new ATOM 0 HA2 GLY A 47 -10.590 1.959 -2.042 1.00 42.31 H new ATOM 0 HA3 GLY A 47 -12.170 2.418 -1.441 1.00 42.31 H new ATOM 674 N ASP A 48 -11.642 -0.305 -3.316 1.00 1.13 N ATOM 675 CA ASP A 48 -12.008 -1.727 -3.607 1.00 0.02 C ATOM 676 C ASP A 48 -12.001 -2.620 -2.347 1.00 52.22 C ATOM 677 O ASP A 48 -13.066 -2.954 -1.812 1.00 0.41 O ATOM 678 CB ASP A 48 -11.054 -2.343 -4.683 1.00 61.12 C ATOM 679 CG ASP A 48 -10.961 -1.515 -5.975 1.00 11.31 C ATOM 680 OD1 ASP A 48 -10.112 -0.593 -6.030 1.00 1.11 O ATOM 681 OD2 ASP A 48 -11.745 -1.765 -6.920 1.00 25.10 O ATOM 0 H ASP A 48 -11.004 0.085 -4.010 1.00 1.13 H new ATOM 0 HA ASP A 48 -13.028 -1.701 -3.990 1.00 0.02 H new ATOM 0 HB2 ASP A 48 -10.057 -2.445 -4.255 1.00 61.12 H new ATOM 0 HB3 ASP A 48 -11.400 -3.347 -4.930 1.00 61.12 H new ATOM 686 N VAL A 49 -10.791 -2.998 -1.879 1.00 42.34 N ATOM 687 CA VAL A 49 -10.623 -3.889 -0.710 1.00 70.45 C ATOM 688 C VAL A 49 -9.978 -3.106 0.446 1.00 3.32 C ATOM 689 O VAL A 49 -8.772 -2.837 0.429 1.00 32.05 O ATOM 690 CB VAL A 49 -9.775 -5.167 -1.064 1.00 61.04 C ATOM 691 CG1 VAL A 49 -9.646 -6.124 0.153 1.00 42.02 C ATOM 692 CG2 VAL A 49 -10.369 -5.910 -2.292 1.00 32.22 C ATOM 0 H VAL A 49 -9.910 -2.697 -2.297 1.00 42.34 H new ATOM 0 HA VAL A 49 -11.609 -4.238 -0.403 1.00 70.45 H new ATOM 0 HB VAL A 49 -8.772 -4.829 -1.325 1.00 61.04 H new ATOM 0 HG11 VAL A 49 -9.054 -6.995 -0.130 1.00 42.02 H new ATOM 0 HG12 VAL A 49 -9.155 -5.603 0.975 1.00 42.02 H new ATOM 0 HG13 VAL A 49 -10.638 -6.447 0.469 1.00 42.02 H new ATOM 0 HG21 VAL A 49 -9.763 -6.789 -2.514 1.00 32.22 H new ATOM 0 HG22 VAL A 49 -11.390 -6.220 -2.071 1.00 32.22 H new ATOM 0 HG23 VAL A 49 -10.371 -5.244 -3.155 1.00 32.22 H new ATOM 702 N GLU A 50 -10.804 -2.736 1.439 1.00 61.32 N ATOM 703 CA GLU A 50 -10.373 -1.950 2.618 1.00 63.50 C ATOM 704 C GLU A 50 -9.436 -2.767 3.534 1.00 2.44 C ATOM 705 O GLU A 50 -8.617 -2.197 4.265 1.00 3.43 O ATOM 706 CB GLU A 50 -11.609 -1.449 3.404 1.00 72.11 C ATOM 707 CG GLU A 50 -12.564 -0.583 2.561 1.00 13.23 C ATOM 708 CD GLU A 50 -13.714 0.058 3.364 1.00 2.42 C ATOM 709 OE1 GLU A 50 -13.447 0.683 4.413 1.00 64.14 O ATOM 710 OE2 GLU A 50 -14.887 -0.011 2.932 1.00 32.34 O ATOM 0 H GLU A 50 -11.796 -2.973 1.451 1.00 61.32 H new ATOM 0 HA GLU A 50 -9.808 -1.089 2.261 1.00 63.50 H new ATOM 0 HB2 GLU A 50 -12.157 -2.309 3.791 1.00 72.11 H new ATOM 0 HB3 GLU A 50 -11.272 -0.872 4.265 1.00 72.11 H new ATOM 0 HG2 GLU A 50 -11.989 0.207 2.078 1.00 13.23 H new ATOM 0 HG3 GLU A 50 -12.989 -1.198 1.768 1.00 13.23 H new ATOM 717 N GLU A 51 -9.565 -4.106 3.459 1.00 2.05 N ATOM 718 CA GLU A 51 -8.749 -5.060 4.241 1.00 61.02 C ATOM 719 C GLU A 51 -7.303 -5.126 3.704 1.00 5.32 C ATOM 720 O GLU A 51 -6.384 -5.556 4.410 1.00 3.42 O ATOM 721 CB GLU A 51 -9.394 -6.482 4.209 1.00 52.40 C ATOM 722 CG GLU A 51 -10.845 -6.587 4.764 1.00 54.20 C ATOM 723 CD GLU A 51 -11.925 -5.876 3.914 1.00 4.12 C ATOM 724 OE1 GLU A 51 -12.001 -6.141 2.697 1.00 43.53 O ATOM 725 OE2 GLU A 51 -12.680 -5.032 4.452 1.00 60.01 O ATOM 0 H GLU A 51 -10.244 -4.561 2.849 1.00 2.05 H new ATOM 0 HA GLU A 51 -8.717 -4.706 5.271 1.00 61.02 H new ATOM 0 HB2 GLU A 51 -9.394 -6.836 3.178 1.00 52.40 H new ATOM 0 HB3 GLU A 51 -8.759 -7.160 4.779 1.00 52.40 H new ATOM 0 HG2 GLU A 51 -11.109 -7.641 4.851 1.00 54.20 H new ATOM 0 HG3 GLU A 51 -10.864 -6.169 5.771 1.00 54.20 H new ATOM 732 N SER A 52 -7.121 -4.705 2.441 1.00 22.50 N ATOM 733 CA SER A 52 -5.807 -4.639 1.777 1.00 1.53 C ATOM 734 C SER A 52 -5.367 -3.173 1.562 1.00 65.02 C ATOM 735 O SER A 52 -4.370 -2.909 0.872 1.00 43.42 O ATOM 736 CB SER A 52 -5.887 -5.388 0.435 1.00 21.35 C ATOM 737 OG SER A 52 -6.298 -6.731 0.621 1.00 33.53 O ATOM 0 H SER A 52 -7.890 -4.398 1.846 1.00 22.50 H new ATOM 0 HA SER A 52 -5.059 -5.112 2.413 1.00 1.53 H new ATOM 0 HB2 SER A 52 -6.587 -4.879 -0.227 1.00 21.35 H new ATOM 0 HB3 SER A 52 -4.913 -5.367 -0.054 1.00 21.35 H new ATOM 0 HG SER A 52 -6.342 -7.183 -0.247 1.00 33.53 H new ATOM 743 N MET A 53 -6.120 -2.230 2.161 1.00 0.34 N ATOM 744 CA MET A 53 -5.819 -0.797 2.085 1.00 4.14 C ATOM 745 C MET A 53 -4.940 -0.391 3.275 1.00 33.14 C ATOM 746 O MET A 53 -5.360 -0.478 4.429 1.00 71.33 O ATOM 747 CB MET A 53 -7.120 0.034 2.054 1.00 75.24 C ATOM 748 CG MET A 53 -6.899 1.553 1.978 1.00 54.35 C ATOM 749 SD MET A 53 -8.436 2.481 1.842 1.00 55.01 S ATOM 750 CE MET A 53 -9.094 1.846 0.303 1.00 51.10 C ATOM 0 H MET A 53 -6.952 -2.446 2.710 1.00 0.34 H new ATOM 0 HA MET A 53 -5.276 -0.597 1.161 1.00 4.14 H new ATOM 0 HB2 MET A 53 -7.716 -0.278 1.196 1.00 75.24 H new ATOM 0 HB3 MET A 53 -7.703 -0.192 2.947 1.00 75.24 H new ATOM 0 HG2 MET A 53 -6.360 1.881 2.867 1.00 54.35 H new ATOM 0 HG3 MET A 53 -6.267 1.780 1.120 1.00 54.35 H new ATOM 0 HE1 MET A 53 -9.554 2.659 -0.259 1.00 51.10 H new ATOM 0 HE2 MET A 53 -8.287 1.410 -0.285 1.00 51.10 H new ATOM 0 HE3 MET A 53 -9.842 1.082 0.515 1.00 51.10 H new ATOM 760 N LEU A 54 -3.716 0.036 2.968 1.00 30.21 N ATOM 761 CA LEU A 54 -2.716 0.460 3.950 1.00 72.01 C ATOM 762 C LEU A 54 -2.629 1.995 3.991 1.00 71.43 C ATOM 763 O LEU A 54 -2.913 2.678 2.996 1.00 24.43 O ATOM 764 CB LEU A 54 -1.354 -0.157 3.569 1.00 2.01 C ATOM 765 CG LEU A 54 -1.336 -1.714 3.435 1.00 3.11 C ATOM 766 CD1 LEU A 54 -0.003 -2.202 2.863 1.00 61.24 C ATOM 767 CD2 LEU A 54 -1.660 -2.403 4.787 1.00 35.30 C ATOM 0 H LEU A 54 -3.383 0.099 2.006 1.00 30.21 H new ATOM 0 HA LEU A 54 -3.002 0.116 4.944 1.00 72.01 H new ATOM 0 HB2 LEU A 54 -1.031 0.276 2.622 1.00 2.01 H new ATOM 0 HB3 LEU A 54 -0.620 0.134 4.320 1.00 2.01 H new ATOM 0 HG LEU A 54 -2.120 -1.995 2.732 1.00 3.11 H new ATOM 0 HD11 LEU A 54 -0.018 -3.289 2.781 1.00 61.24 H new ATOM 0 HD12 LEU A 54 0.151 -1.765 1.876 1.00 61.24 H new ATOM 0 HD13 LEU A 54 0.809 -1.900 3.524 1.00 61.24 H new ATOM 0 HD21 LEU A 54 -1.639 -3.485 4.658 1.00 35.30 H new ATOM 0 HD22 LEU A 54 -0.918 -2.112 5.531 1.00 35.30 H new ATOM 0 HD23 LEU A 54 -2.651 -2.097 5.123 1.00 35.30 H new ATOM 779 N LEU A 55 -2.222 2.514 5.154 1.00 43.43 N ATOM 780 CA LEU A 55 -2.056 3.952 5.405 1.00 10.02 C ATOM 781 C LEU A 55 -0.599 4.135 5.883 1.00 34.00 C ATOM 782 O LEU A 55 -0.217 3.591 6.927 1.00 63.31 O ATOM 783 CB LEU A 55 -3.097 4.427 6.482 1.00 0.23 C ATOM 784 CG LEU A 55 -3.506 5.951 6.504 1.00 34.22 C ATOM 785 CD1 LEU A 55 -2.315 6.901 6.742 1.00 22.43 C ATOM 786 CD2 LEU A 55 -4.281 6.331 5.230 1.00 11.22 C ATOM 0 H LEU A 55 -1.994 1.937 5.963 1.00 43.43 H new ATOM 0 HA LEU A 55 -2.237 4.555 4.515 1.00 10.02 H new ATOM 0 HB2 LEU A 55 -4.006 3.840 6.348 1.00 0.23 H new ATOM 0 HB3 LEU A 55 -2.698 4.175 7.464 1.00 0.23 H new ATOM 0 HG LEU A 55 -4.165 6.079 7.362 1.00 34.22 H new ATOM 0 HD11 LEU A 55 -2.667 7.932 6.745 1.00 22.43 H new ATOM 0 HD12 LEU A 55 -1.853 6.672 7.703 1.00 22.43 H new ATOM 0 HD13 LEU A 55 -1.581 6.771 5.947 1.00 22.43 H new ATOM 0 HD21 LEU A 55 -4.551 7.386 5.270 1.00 11.22 H new ATOM 0 HD22 LEU A 55 -3.656 6.149 4.356 1.00 11.22 H new ATOM 0 HD23 LEU A 55 -5.186 5.727 5.161 1.00 11.22 H new ATOM 798 N CYS A 56 0.203 4.875 5.089 1.00 12.44 N ATOM 799 CA CYS A 56 1.623 5.137 5.406 1.00 60.34 C ATOM 800 C CYS A 56 1.780 5.831 6.775 1.00 72.14 C ATOM 801 O CYS A 56 1.324 6.959 6.956 1.00 40.55 O ATOM 802 CB CYS A 56 2.281 5.988 4.304 1.00 14.55 C ATOM 803 SG CYS A 56 4.037 6.402 4.624 1.00 13.22 S ATOM 0 H CYS A 56 -0.111 5.304 4.219 1.00 12.44 H new ATOM 0 HA CYS A 56 2.128 4.172 5.456 1.00 60.34 H new ATOM 0 HB2 CYS A 56 2.212 5.453 3.357 1.00 14.55 H new ATOM 0 HB3 CYS A 56 1.716 6.913 4.189 1.00 14.55 H new ATOM 0 HG CYS A 56 4.600 6.788 3.518 1.00 13.22 H new ATOM 808 N ASP A 57 2.397 5.102 7.729 1.00 14.34 N ATOM 809 CA ASP A 57 2.775 5.607 9.064 1.00 72.23 C ATOM 810 C ASP A 57 3.574 6.917 8.951 1.00 41.44 C ATOM 811 O ASP A 57 3.243 7.903 9.602 1.00 42.13 O ATOM 812 CB ASP A 57 3.604 4.519 9.808 1.00 13.53 C ATOM 813 CG ASP A 57 4.126 4.940 11.202 1.00 44.42 C ATOM 814 OD1 ASP A 57 3.328 4.983 12.161 1.00 5.32 O ATOM 815 OD2 ASP A 57 5.342 5.219 11.342 1.00 72.31 O ATOM 0 H ASP A 57 2.651 4.124 7.588 1.00 14.34 H new ATOM 0 HA ASP A 57 1.870 5.822 9.632 1.00 72.23 H new ATOM 0 HB2 ASP A 57 2.988 3.627 9.921 1.00 13.53 H new ATOM 0 HB3 ASP A 57 4.455 4.242 9.186 1.00 13.53 H new ATOM 820 N GLY A 58 4.594 6.904 8.072 1.00 10.32 N ATOM 821 CA GLY A 58 5.403 8.086 7.767 1.00 55.32 C ATOM 822 C GLY A 58 4.925 8.796 6.503 1.00 71.12 C ATOM 823 O GLY A 58 5.672 8.903 5.546 1.00 61.03 O ATOM 0 H GLY A 58 4.876 6.070 7.556 1.00 10.32 H new ATOM 0 HA2 GLY A 58 5.365 8.778 8.608 1.00 55.32 H new ATOM 0 HA3 GLY A 58 6.445 7.790 7.645 1.00 55.32 H new ATOM 827 N CYS A 59 3.628 9.148 6.502 1.00 23.11 N ATOM 828 CA CYS A 59 2.917 10.010 5.513 1.00 65.15 C ATOM 829 C CYS A 59 1.432 10.023 5.950 1.00 24.11 C ATOM 830 O CYS A 59 1.139 9.802 7.130 1.00 41.24 O ATOM 831 CB CYS A 59 3.038 9.506 4.032 1.00 11.02 C ATOM 832 SG CYS A 59 4.614 9.877 3.202 1.00 34.13 S ATOM 0 H CYS A 59 2.998 8.822 7.235 1.00 23.11 H new ATOM 0 HA CYS A 59 3.369 11.002 5.512 1.00 65.15 H new ATOM 0 HB2 CYS A 59 2.887 8.427 4.021 1.00 11.02 H new ATOM 0 HB3 CYS A 59 2.229 9.947 3.450 1.00 11.02 H new ATOM 0 HG CYS A 59 5.372 8.821 3.219 1.00 34.13 H new ATOM 837 N ASP A 60 0.522 10.289 5.005 1.00 61.21 N ATOM 838 CA ASP A 60 -0.917 10.092 5.188 1.00 24.11 C ATOM 839 C ASP A 60 -1.574 10.043 3.796 1.00 65.43 C ATOM 840 O ASP A 60 -1.658 11.080 3.121 1.00 0.42 O ATOM 841 CB ASP A 60 -1.531 11.219 6.069 1.00 71.04 C ATOM 842 CG ASP A 60 -3.065 11.160 6.172 1.00 21.13 C ATOM 843 OD1 ASP A 60 -3.603 10.106 6.567 1.00 41.33 O ATOM 844 OD2 ASP A 60 -3.734 12.165 5.851 1.00 21.40 O ATOM 0 H ASP A 60 0.769 10.650 4.084 1.00 61.21 H new ATOM 0 HA ASP A 60 -1.101 9.155 5.713 1.00 24.11 H new ATOM 0 HB2 ASP A 60 -1.106 11.156 7.071 1.00 71.04 H new ATOM 0 HB3 ASP A 60 -1.241 12.186 5.659 1.00 71.04 H new ATOM 849 N ASP A 61 -1.952 8.825 3.361 1.00 40.03 N ATOM 850 CA ASP A 61 -2.645 8.570 2.071 1.00 62.31 C ATOM 851 C ASP A 61 -3.001 7.069 1.993 1.00 32.43 C ATOM 852 O ASP A 61 -2.252 6.226 2.511 1.00 23.20 O ATOM 853 CB ASP A 61 -1.771 8.980 0.845 1.00 13.25 C ATOM 854 CG ASP A 61 -2.589 9.119 -0.449 1.00 40.54 C ATOM 855 OD1 ASP A 61 -3.164 10.201 -0.678 1.00 74.33 O ATOM 856 OD2 ASP A 61 -2.707 8.137 -1.218 1.00 34.41 O ATOM 0 H ASP A 61 -1.785 7.975 3.899 1.00 40.03 H new ATOM 0 HA ASP A 61 -3.548 9.180 2.035 1.00 62.31 H new ATOM 0 HB2 ASP A 61 -1.274 9.926 1.059 1.00 13.25 H new ATOM 0 HB3 ASP A 61 -0.989 8.236 0.697 1.00 13.25 H new ATOM 861 N SER A 62 -4.140 6.741 1.358 1.00 65.34 N ATOM 862 CA SER A 62 -4.632 5.357 1.259 1.00 0.11 C ATOM 863 C SER A 62 -4.138 4.697 -0.040 1.00 31.01 C ATOM 864 O SER A 62 -4.353 5.220 -1.137 1.00 54.12 O ATOM 865 CB SER A 62 -6.169 5.345 1.318 1.00 74.21 C ATOM 866 OG SER A 62 -6.625 5.898 2.537 1.00 22.43 O ATOM 0 H SER A 62 -4.743 7.425 0.901 1.00 65.34 H new ATOM 0 HA SER A 62 -4.241 4.784 2.100 1.00 0.11 H new ATOM 0 HB2 SER A 62 -6.575 5.913 0.481 1.00 74.21 H new ATOM 0 HB3 SER A 62 -6.534 4.323 1.217 1.00 74.21 H new ATOM 0 HG SER A 62 -7.341 6.542 2.356 1.00 22.43 H new ATOM 872 N TYR A 63 -3.454 3.553 0.121 1.00 33.01 N ATOM 873 CA TYR A 63 -2.930 2.733 -0.984 1.00 70.33 C ATOM 874 C TYR A 63 -3.506 1.321 -0.858 1.00 40.00 C ATOM 875 O TYR A 63 -3.760 0.867 0.247 1.00 61.35 O ATOM 876 CB TYR A 63 -1.378 2.658 -0.904 1.00 55.13 C ATOM 877 CG TYR A 63 -0.661 4.012 -1.072 1.00 22.02 C ATOM 878 CD1 TYR A 63 -0.571 4.920 -0.013 1.00 50.14 C ATOM 879 CD2 TYR A 63 -0.088 4.377 -2.285 1.00 1.32 C ATOM 880 CE1 TYR A 63 0.060 6.135 -0.164 1.00 42.32 C ATOM 881 CE2 TYR A 63 0.549 5.597 -2.442 1.00 23.13 C ATOM 882 CZ TYR A 63 0.615 6.471 -1.374 1.00 41.31 C ATOM 883 OH TYR A 63 1.242 7.691 -1.517 1.00 43.12 O ATOM 0 H TYR A 63 -3.245 3.164 1.041 1.00 33.01 H new ATOM 0 HA TYR A 63 -3.216 3.179 -1.937 1.00 70.33 H new ATOM 0 HB2 TYR A 63 -1.097 2.230 0.058 1.00 55.13 H new ATOM 0 HB3 TYR A 63 -1.020 1.974 -1.674 1.00 55.13 H new ATOM 0 HD1 TYR A 63 -1.005 4.664 0.942 1.00 50.14 H new ATOM 0 HD2 TYR A 63 -0.141 3.696 -3.121 1.00 1.32 H new ATOM 0 HE1 TYR A 63 0.118 6.822 0.667 1.00 42.32 H new ATOM 0 HE2 TYR A 63 0.990 5.863 -3.391 1.00 23.13 H new ATOM 0 HH TYR A 63 1.583 7.778 -2.431 1.00 43.12 H new ATOM 893 N HIS A 64 -3.726 0.635 -1.986 1.00 13.44 N ATOM 894 CA HIS A 64 -3.969 -0.822 -1.966 1.00 4.04 C ATOM 895 C HIS A 64 -2.642 -1.539 -2.167 1.00 62.35 C ATOM 896 O HIS A 64 -1.727 -1.005 -2.805 1.00 53.41 O ATOM 897 CB HIS A 64 -4.957 -1.286 -3.069 1.00 12.40 C ATOM 898 CG HIS A 64 -6.396 -0.965 -2.826 1.00 11.34 C ATOM 899 ND1 HIS A 64 -7.158 -0.317 -3.776 1.00 34.14 N ATOM 900 CD2 HIS A 64 -7.176 -1.259 -1.754 1.00 53.24 C ATOM 901 CE1 HIS A 64 -8.378 -0.254 -3.259 1.00 24.02 C ATOM 902 NE2 HIS A 64 -8.431 -0.804 -2.041 1.00 4.42 N ATOM 0 H HIS A 64 -3.742 1.054 -2.916 1.00 13.44 H new ATOM 0 HA HIS A 64 -4.419 -1.065 -1.003 1.00 4.04 H new ATOM 0 HB2 HIS A 64 -4.657 -0.833 -4.014 1.00 12.40 H new ATOM 0 HB3 HIS A 64 -4.859 -2.365 -3.188 1.00 12.40 H new ATOM 0 HD1 HIS A 64 -6.850 0.037 -4.681 1.00 34.14 H new ATOM 0 HD2 HIS A 64 -6.864 -1.757 -0.848 1.00 53.24 H new ATOM 0 HE1 HIS A 64 -9.226 0.188 -3.761 1.00 24.02 H new ATOM 910 N THR A 65 -2.582 -2.757 -1.635 1.00 33.43 N ATOM 911 CA THR A 65 -1.498 -3.711 -1.891 1.00 43.41 C ATOM 912 C THR A 65 -1.433 -4.044 -3.400 1.00 23.44 C ATOM 913 O THR A 65 -0.350 -4.125 -3.982 1.00 24.13 O ATOM 914 CB THR A 65 -1.743 -5.011 -1.052 1.00 4.32 C ATOM 915 OG1 THR A 65 -3.080 -5.488 -1.291 1.00 72.05 O ATOM 916 CG2 THR A 65 -1.553 -4.768 0.458 1.00 13.31 C ATOM 0 H THR A 65 -3.296 -3.118 -1.002 1.00 33.43 H new ATOM 0 HA THR A 65 -0.546 -3.271 -1.595 1.00 43.41 H new ATOM 0 HB THR A 65 -1.009 -5.753 -1.367 1.00 4.32 H new ATOM 0 HG1 THR A 65 -3.184 -6.380 -0.900 1.00 72.05 H new ATOM 0 HG21 THR A 65 -1.733 -5.696 1.001 1.00 13.31 H new ATOM 0 HG22 THR A 65 -0.535 -4.428 0.647 1.00 13.31 H new ATOM 0 HG23 THR A 65 -2.257 -4.008 0.796 1.00 13.31 H new ATOM 924 N PHE A 66 -2.635 -4.181 -4.005 1.00 73.41 N ATOM 925 CA PHE A 66 -2.829 -4.490 -5.438 1.00 20.53 C ATOM 926 C PHE A 66 -2.312 -3.352 -6.337 1.00 23.24 C ATOM 927 O PHE A 66 -1.775 -3.599 -7.422 1.00 71.12 O ATOM 928 CB PHE A 66 -4.344 -4.699 -5.737 1.00 5.30 C ATOM 929 CG PHE A 66 -5.054 -5.675 -4.802 1.00 13.13 C ATOM 930 CD1 PHE A 66 -4.827 -7.045 -4.903 1.00 35.33 C ATOM 931 CD2 PHE A 66 -5.945 -5.216 -3.829 1.00 71.33 C ATOM 932 CE1 PHE A 66 -5.473 -7.927 -4.062 1.00 44.51 C ATOM 933 CE2 PHE A 66 -6.589 -6.100 -2.993 1.00 60.32 C ATOM 934 CZ PHE A 66 -6.352 -7.453 -3.108 1.00 20.40 C ATOM 0 H PHE A 66 -3.515 -4.077 -3.499 1.00 73.41 H new ATOM 0 HA PHE A 66 -2.266 -5.398 -5.654 1.00 20.53 H new ATOM 0 HB2 PHE A 66 -4.847 -3.734 -5.681 1.00 5.30 H new ATOM 0 HB3 PHE A 66 -4.452 -5.056 -6.761 1.00 5.30 H new ATOM 0 HD1 PHE A 66 -4.139 -7.420 -5.646 1.00 35.33 H new ATOM 0 HD2 PHE A 66 -6.131 -4.157 -3.732 1.00 71.33 H new ATOM 0 HE1 PHE A 66 -5.291 -8.988 -4.149 1.00 44.51 H new ATOM 0 HE2 PHE A 66 -7.279 -5.734 -2.248 1.00 60.32 H new ATOM 0 HZ PHE A 66 -6.856 -8.145 -2.449 1.00 20.40 H new ATOM 944 N CYS A 67 -2.528 -2.096 -5.881 1.00 64.15 N ATOM 945 CA CYS A 67 -2.219 -0.880 -6.657 1.00 43.25 C ATOM 946 C CYS A 67 -0.708 -0.628 -6.803 1.00 34.11 C ATOM 947 O CYS A 67 -0.280 0.126 -7.695 1.00 65.21 O ATOM 948 CB CYS A 67 -2.935 0.321 -6.009 1.00 43.24 C ATOM 949 SG CYS A 67 -4.753 0.144 -5.969 1.00 52.23 S ATOM 0 H CYS A 67 -2.923 -1.901 -4.961 1.00 64.15 H new ATOM 0 HA CYS A 67 -2.586 -1.022 -7.673 1.00 43.25 H new ATOM 0 HB2 CYS A 67 -2.567 0.448 -4.991 1.00 43.24 H new ATOM 0 HB3 CYS A 67 -2.677 1.227 -6.557 1.00 43.24 H new ATOM 0 HG CYS A 67 -5.301 1.318 -5.869 1.00 52.23 H new ATOM 954 N LEU A 68 0.090 -1.256 -5.929 1.00 75.13 N ATOM 955 CA LEU A 68 1.559 -1.211 -5.993 1.00 22.43 C ATOM 956 C LEU A 68 2.075 -2.385 -6.851 1.00 4.24 C ATOM 957 O LEU A 68 1.495 -3.477 -6.822 1.00 70.25 O ATOM 958 CB LEU A 68 2.143 -1.283 -4.555 1.00 0.31 C ATOM 959 CG LEU A 68 1.686 -0.153 -3.568 1.00 52.41 C ATOM 960 CD1 LEU A 68 2.256 -0.379 -2.152 1.00 14.45 C ATOM 961 CD2 LEU A 68 2.048 1.253 -4.104 1.00 15.11 C ATOM 0 H LEU A 68 -0.267 -1.813 -5.153 1.00 75.13 H new ATOM 0 HA LEU A 68 1.880 -0.277 -6.453 1.00 22.43 H new ATOM 0 HB2 LEU A 68 1.873 -2.246 -4.123 1.00 0.31 H new ATOM 0 HB3 LEU A 68 3.231 -1.259 -4.625 1.00 0.31 H new ATOM 0 HG LEU A 68 0.599 -0.203 -3.498 1.00 52.41 H new ATOM 0 HD11 LEU A 68 1.920 0.422 -1.493 1.00 14.45 H new ATOM 0 HD12 LEU A 68 1.906 -1.337 -1.767 1.00 14.45 H new ATOM 0 HD13 LEU A 68 3.345 -0.382 -2.194 1.00 14.45 H new ATOM 0 HD21 LEU A 68 1.716 2.010 -3.393 1.00 15.11 H new ATOM 0 HD22 LEU A 68 3.128 1.326 -4.234 1.00 15.11 H new ATOM 0 HD23 LEU A 68 1.556 1.415 -5.063 1.00 15.11 H new ATOM 973 N LEU A 69 3.145 -2.135 -7.627 1.00 63.53 N ATOM 974 CA LEU A 69 3.791 -3.158 -8.497 1.00 71.10 C ATOM 975 C LEU A 69 5.152 -3.586 -7.882 1.00 64.51 C ATOM 976 O LEU A 69 6.030 -2.730 -7.715 1.00 44.31 O ATOM 977 CB LEU A 69 4.000 -2.639 -9.956 1.00 52.50 C ATOM 978 CG LEU A 69 2.711 -2.477 -10.838 1.00 45.34 C ATOM 979 CD1 LEU A 69 1.840 -1.287 -10.387 1.00 71.52 C ATOM 980 CD2 LEU A 69 3.070 -2.376 -12.334 1.00 23.21 C ATOM 0 H LEU A 69 3.593 -1.220 -7.675 1.00 63.53 H new ATOM 0 HA LEU A 69 3.124 -4.018 -8.550 1.00 71.10 H new ATOM 0 HB2 LEU A 69 4.501 -1.672 -9.905 1.00 52.50 H new ATOM 0 HB3 LEU A 69 4.678 -3.323 -10.467 1.00 52.50 H new ATOM 0 HG LEU A 69 2.112 -3.376 -10.696 1.00 45.34 H new ATOM 0 HD11 LEU A 69 0.961 -1.216 -11.027 1.00 71.52 H new ATOM 0 HD12 LEU A 69 1.526 -1.437 -9.354 1.00 71.52 H new ATOM 0 HD13 LEU A 69 2.417 -0.365 -10.460 1.00 71.52 H new ATOM 0 HD21 LEU A 69 2.158 -2.265 -12.920 1.00 23.21 H new ATOM 0 HD22 LEU A 69 3.714 -1.511 -12.496 1.00 23.21 H new ATOM 0 HD23 LEU A 69 3.593 -3.281 -12.645 1.00 23.21 H new ATOM 992 N PRO A 70 5.357 -4.903 -7.506 1.00 13.33 N ATOM 993 CA PRO A 70 4.321 -5.968 -7.562 1.00 1.12 C ATOM 994 C PRO A 70 3.367 -5.890 -6.337 1.00 70.21 C ATOM 995 O PRO A 70 3.707 -5.225 -5.345 1.00 62.21 O ATOM 996 CB PRO A 70 5.173 -7.266 -7.567 1.00 54.00 C ATOM 997 CG PRO A 70 6.394 -6.923 -6.762 1.00 25.04 C ATOM 998 CD PRO A 70 6.653 -5.437 -6.996 1.00 13.32 C ATOM 0 HA PRO A 70 3.658 -5.895 -8.424 1.00 1.12 H new ATOM 0 HB2 PRO A 70 4.628 -8.099 -7.124 1.00 54.00 H new ATOM 0 HB3 PRO A 70 5.438 -7.562 -8.582 1.00 54.00 H new ATOM 0 HG2 PRO A 70 6.233 -7.128 -5.704 1.00 25.04 H new ATOM 0 HG3 PRO A 70 7.249 -7.522 -7.077 1.00 25.04 H new ATOM 0 HD2 PRO A 70 6.952 -4.937 -6.075 1.00 13.32 H new ATOM 0 HD3 PRO A 70 7.456 -5.284 -7.717 1.00 13.32 H new ATOM 1006 N PRO A 71 2.135 -6.505 -6.414 1.00 2.43 N ATOM 1007 CA PRO A 71 1.209 -6.579 -5.255 1.00 64.51 C ATOM 1008 C PRO A 71 1.890 -7.176 -4.007 1.00 40.34 C ATOM 1009 O PRO A 71 2.652 -8.148 -4.119 1.00 53.25 O ATOM 1010 CB PRO A 71 0.055 -7.474 -5.768 1.00 32.52 C ATOM 1011 CG PRO A 71 0.070 -7.278 -7.255 1.00 23.13 C ATOM 1012 CD PRO A 71 1.535 -7.123 -7.626 1.00 45.20 C ATOM 0 HA PRO A 71 0.866 -5.597 -4.931 1.00 64.51 H new ATOM 0 HB2 PRO A 71 0.214 -8.519 -5.503 1.00 32.52 H new ATOM 0 HB3 PRO A 71 -0.901 -7.177 -5.337 1.00 32.52 H new ATOM 0 HG2 PRO A 71 -0.377 -8.129 -7.768 1.00 23.13 H new ATOM 0 HG3 PRO A 71 -0.503 -6.396 -7.541 1.00 23.13 H new ATOM 0 HD2 PRO A 71 1.995 -8.084 -7.856 1.00 45.20 H new ATOM 0 HD3 PRO A 71 1.662 -6.490 -8.504 1.00 45.20 H new ATOM 1020 N LEU A 72 1.630 -6.568 -2.838 1.00 72.32 N ATOM 1021 CA LEU A 72 2.309 -6.931 -1.583 1.00 23.11 C ATOM 1022 C LEU A 72 1.865 -8.336 -1.127 1.00 3.01 C ATOM 1023 O LEU A 72 0.754 -8.509 -0.609 1.00 40.31 O ATOM 1024 CB LEU A 72 2.042 -5.857 -0.490 1.00 33.43 C ATOM 1025 CG LEU A 72 2.423 -4.386 -0.875 1.00 72.30 C ATOM 1026 CD1 LEU A 72 2.129 -3.404 0.270 1.00 2.21 C ATOM 1027 CD2 LEU A 72 3.892 -4.270 -1.340 1.00 1.22 C ATOM 0 H LEU A 72 0.948 -5.816 -2.736 1.00 72.32 H new ATOM 0 HA LEU A 72 3.385 -6.962 -1.754 1.00 23.11 H new ATOM 0 HB2 LEU A 72 0.983 -5.883 -0.232 1.00 33.43 H new ATOM 0 HB3 LEU A 72 2.595 -6.133 0.408 1.00 33.43 H new ATOM 0 HG LEU A 72 1.791 -4.111 -1.719 1.00 72.30 H new ATOM 0 HD11 LEU A 72 2.407 -2.395 -0.036 1.00 2.21 H new ATOM 0 HD12 LEU A 72 1.066 -3.431 0.509 1.00 2.21 H new ATOM 0 HD13 LEU A 72 2.706 -3.688 1.150 1.00 2.21 H new ATOM 0 HD21 LEU A 72 4.112 -3.234 -1.597 1.00 1.22 H new ATOM 0 HD22 LEU A 72 4.554 -4.593 -0.537 1.00 1.22 H new ATOM 0 HD23 LEU A 72 4.048 -4.901 -2.215 1.00 1.22 H new ATOM 1039 N THR A 73 2.747 -9.328 -1.396 1.00 74.34 N ATOM 1040 CA THR A 73 2.535 -10.764 -1.089 1.00 71.40 C ATOM 1041 C THR A 73 2.219 -10.995 0.406 1.00 51.02 C ATOM 1042 O THR A 73 1.415 -11.866 0.761 1.00 21.10 O ATOM 1043 CB THR A 73 3.795 -11.594 -1.517 1.00 54.53 C ATOM 1044 OG1 THR A 73 4.082 -11.342 -2.900 1.00 70.33 O ATOM 1045 CG2 THR A 73 3.619 -13.112 -1.318 1.00 64.23 C ATOM 0 H THR A 73 3.646 -9.149 -1.843 1.00 74.34 H new ATOM 0 HA THR A 73 1.669 -11.102 -1.658 1.00 71.40 H new ATOM 0 HB THR A 73 4.615 -11.274 -0.875 1.00 54.53 H new ATOM 0 HG1 THR A 73 4.870 -11.858 -3.170 1.00 70.33 H new ATOM 0 HG21 THR A 73 4.526 -13.628 -1.633 1.00 64.23 H new ATOM 0 HG22 THR A 73 3.430 -13.321 -0.265 1.00 64.23 H new ATOM 0 HG23 THR A 73 2.777 -13.462 -1.915 1.00 64.23 H new ATOM 1053 N SER A 74 2.858 -10.192 1.263 1.00 71.13 N ATOM 1054 CA SER A 74 2.590 -10.158 2.701 1.00 30.44 C ATOM 1055 C SER A 74 1.899 -8.835 3.043 1.00 5.30 C ATOM 1056 O SER A 74 2.286 -7.777 2.525 1.00 62.22 O ATOM 1057 CB SER A 74 3.909 -10.271 3.492 1.00 61.24 C ATOM 1058 OG SER A 74 4.656 -11.402 3.083 1.00 34.13 O ATOM 0 H SER A 74 3.585 -9.539 0.971 1.00 71.13 H new ATOM 0 HA SER A 74 1.948 -10.997 2.970 1.00 30.44 H new ATOM 0 HB2 SER A 74 4.502 -9.368 3.346 1.00 61.24 H new ATOM 0 HB3 SER A 74 3.692 -10.341 4.558 1.00 61.24 H new ATOM 0 HG SER A 74 5.488 -11.449 3.599 1.00 34.13 H new ATOM 1064 N ILE A 75 0.857 -8.900 3.882 1.00 11.22 N ATOM 1065 CA ILE A 75 0.276 -7.699 4.502 1.00 72.11 C ATOM 1066 C ILE A 75 1.194 -7.284 5.672 1.00 72.45 C ATOM 1067 O ILE A 75 1.465 -8.125 6.542 1.00 64.35 O ATOM 1068 CB ILE A 75 -1.192 -7.935 5.027 1.00 12.41 C ATOM 1069 CG1 ILE A 75 -2.100 -8.525 3.897 1.00 55.33 C ATOM 1070 CG2 ILE A 75 -1.797 -6.620 5.611 1.00 61.34 C ATOM 1071 CD1 ILE A 75 -2.391 -7.587 2.742 1.00 75.54 C ATOM 0 H ILE A 75 0.398 -9.771 4.148 1.00 11.22 H new ATOM 0 HA ILE A 75 0.210 -6.914 3.749 1.00 72.11 H new ATOM 0 HB ILE A 75 -1.148 -8.665 5.835 1.00 12.41 H new ATOM 0 HG12 ILE A 75 -1.624 -9.423 3.503 1.00 55.33 H new ATOM 0 HG13 ILE A 75 -3.047 -8.834 4.339 1.00 55.33 H new ATOM 0 HG21 ILE A 75 -2.810 -6.812 5.966 1.00 61.34 H new ATOM 0 HG22 ILE A 75 -1.181 -6.273 6.441 1.00 61.34 H new ATOM 0 HG23 ILE A 75 -1.823 -5.855 4.835 1.00 61.34 H new ATOM 0 HD11 ILE A 75 -3.027 -8.092 2.015 1.00 75.54 H new ATOM 0 HD12 ILE A 75 -2.900 -6.698 3.115 1.00 75.54 H new ATOM 0 HD13 ILE A 75 -1.455 -7.296 2.265 1.00 75.54 H new ATOM 1083 N PRO A 76 1.737 -6.019 5.676 1.00 35.44 N ATOM 1084 CA PRO A 76 2.562 -5.483 6.794 1.00 2.32 C ATOM 1085 C PRO A 76 1.927 -5.704 8.190 1.00 60.01 C ATOM 1086 O PRO A 76 0.871 -5.136 8.505 1.00 44.33 O ATOM 1087 CB PRO A 76 2.662 -3.984 6.448 1.00 14.34 C ATOM 1088 CG PRO A 76 2.616 -3.955 4.953 1.00 63.31 C ATOM 1089 CD PRO A 76 1.623 -5.025 4.568 1.00 41.03 C ATOM 0 HA PRO A 76 3.525 -5.987 6.874 1.00 2.32 H new ATOM 0 HB2 PRO A 76 1.839 -3.418 6.884 1.00 14.34 H new ATOM 0 HB3 PRO A 76 3.586 -3.547 6.828 1.00 14.34 H new ATOM 0 HG2 PRO A 76 2.303 -2.977 4.587 1.00 63.31 H new ATOM 0 HG3 PRO A 76 3.598 -4.156 4.525 1.00 63.31 H new ATOM 0 HD2 PRO A 76 0.612 -4.625 4.490 1.00 41.03 H new ATOM 0 HD3 PRO A 76 1.866 -5.470 3.603 1.00 41.03 H new ATOM 1097 N LYS A 77 2.570 -6.591 8.974 1.00 15.02 N ATOM 1098 CA LYS A 77 2.181 -6.921 10.361 1.00 21.33 C ATOM 1099 C LYS A 77 2.259 -5.670 11.267 1.00 74.35 C ATOM 1100 O LYS A 77 1.406 -5.460 12.140 1.00 61.13 O ATOM 1101 CB LYS A 77 3.104 -8.061 10.888 1.00 70.44 C ATOM 1102 CG LYS A 77 2.766 -8.586 12.304 1.00 12.10 C ATOM 1103 CD LYS A 77 1.324 -9.142 12.410 1.00 41.33 C ATOM 1104 CE LYS A 77 0.987 -9.638 13.824 1.00 4.21 C ATOM 1105 NZ LYS A 77 -0.447 -9.992 13.954 1.00 75.42 N ATOM 0 H LYS A 77 3.390 -7.108 8.656 1.00 15.02 H new ATOM 0 HA LYS A 77 1.147 -7.264 10.378 1.00 21.33 H new ATOM 0 HB2 LYS A 77 3.058 -8.896 10.189 1.00 70.44 H new ATOM 0 HB3 LYS A 77 4.133 -7.702 10.888 1.00 70.44 H new ATOM 0 HG2 LYS A 77 3.473 -9.370 12.574 1.00 12.10 H new ATOM 0 HG3 LYS A 77 2.893 -7.779 13.026 1.00 12.10 H new ATOM 0 HD2 LYS A 77 0.616 -8.364 12.123 1.00 41.33 H new ATOM 0 HD3 LYS A 77 1.201 -9.962 11.702 1.00 41.33 H new ATOM 0 HE2 LYS A 77 1.599 -10.508 14.060 1.00 4.21 H new ATOM 0 HE3 LYS A 77 1.238 -8.865 14.550 1.00 4.21 H new ATOM 0 HZ1 LYS A 77 -0.637 -10.322 14.922 1.00 75.42 H new ATOM 0 HZ2 LYS A 77 -1.031 -9.155 13.753 1.00 75.42 H new ATOM 0 HZ3 LYS A 77 -0.681 -10.747 13.278 1.00 75.42 H new ATOM 1119 N GLY A 78 3.311 -4.867 11.050 1.00 24.13 N ATOM 1120 CA GLY A 78 3.446 -3.540 11.657 1.00 22.30 C ATOM 1121 C GLY A 78 2.971 -2.457 10.694 1.00 34.34 C ATOM 1122 O GLY A 78 2.615 -2.765 9.550 1.00 5.42 O ATOM 0 H GLY A 78 4.093 -5.123 10.447 1.00 24.13 H new ATOM 0 HA2 GLY A 78 2.865 -3.495 12.578 1.00 22.30 H new ATOM 0 HA3 GLY A 78 4.487 -3.362 11.928 1.00 22.30 H new ATOM 1126 N GLU A 79 2.964 -1.196 11.160 1.00 74.31 N ATOM 1127 CA GLU A 79 2.593 -0.021 10.339 1.00 61.41 C ATOM 1128 C GLU A 79 3.470 0.063 9.071 1.00 22.10 C ATOM 1129 O GLU A 79 4.698 -0.088 9.145 1.00 44.14 O ATOM 1130 CB GLU A 79 2.735 1.273 11.193 1.00 40.44 C ATOM 1131 CG GLU A 79 1.704 1.428 12.332 1.00 71.13 C ATOM 1132 CD GLU A 79 0.273 1.644 11.814 1.00 12.13 C ATOM 1133 OE1 GLU A 79 -0.074 2.798 11.483 1.00 1.42 O ATOM 1134 OE2 GLU A 79 -0.497 0.665 11.705 1.00 43.14 O ATOM 0 H GLU A 79 3.216 -0.958 12.119 1.00 74.31 H new ATOM 0 HA GLU A 79 1.557 -0.126 10.018 1.00 61.41 H new ATOM 0 HB2 GLU A 79 3.735 1.295 11.625 1.00 40.44 H new ATOM 0 HB3 GLU A 79 2.654 2.136 10.532 1.00 40.44 H new ATOM 0 HG2 GLU A 79 1.728 0.538 12.961 1.00 71.13 H new ATOM 0 HG3 GLU A 79 1.989 2.271 12.962 1.00 71.13 H new ATOM 1141 N TRP A 80 2.827 0.317 7.924 1.00 53.32 N ATOM 1142 CA TRP A 80 3.465 0.275 6.610 1.00 1.20 C ATOM 1143 C TRP A 80 4.037 1.659 6.279 1.00 3.24 C ATOM 1144 O TRP A 80 3.385 2.674 6.512 1.00 53.14 O ATOM 1145 CB TRP A 80 2.416 -0.174 5.561 1.00 22.32 C ATOM 1146 CG TRP A 80 2.863 -0.068 4.116 1.00 42.12 C ATOM 1147 CD1 TRP A 80 3.714 -0.895 3.432 1.00 73.20 C ATOM 1148 CD2 TRP A 80 2.462 0.942 3.190 1.00 15.01 C ATOM 1149 NE1 TRP A 80 3.845 -0.462 2.136 1.00 74.55 N ATOM 1150 CE2 TRP A 80 3.086 0.666 1.966 1.00 34.21 C ATOM 1151 CE3 TRP A 80 1.620 2.048 3.293 1.00 62.41 C ATOM 1152 CZ2 TRP A 80 2.901 1.464 0.845 1.00 35.33 C ATOM 1153 CZ3 TRP A 80 1.432 2.840 2.179 1.00 74.43 C ATOM 1154 CH2 TRP A 80 2.076 2.547 0.968 1.00 72.33 C ATOM 0 H TRP A 80 1.837 0.560 7.886 1.00 53.32 H new ATOM 0 HA TRP A 80 4.289 -0.439 6.603 1.00 1.20 H new ATOM 0 HB2 TRP A 80 2.142 -1.209 5.765 1.00 22.32 H new ATOM 0 HB3 TRP A 80 1.515 0.426 5.691 1.00 22.32 H new ATOM 0 HD1 TRP A 80 4.208 -1.759 3.850 1.00 73.20 H new ATOM 0 HE1 TRP A 80 4.415 -0.907 1.417 1.00 74.55 H new ATOM 0 HE3 TRP A 80 1.125 2.280 4.225 1.00 62.41 H new ATOM 0 HZ2 TRP A 80 3.391 1.237 -0.090 1.00 35.33 H new ATOM 0 HZ3 TRP A 80 0.779 3.698 2.240 1.00 74.43 H new ATOM 0 HH2 TRP A 80 1.917 3.190 0.115 1.00 72.33 H new ATOM 1165 N LEU A 81 5.269 1.685 5.757 1.00 34.30 N ATOM 1166 CA LEU A 81 5.897 2.905 5.237 1.00 34.23 C ATOM 1167 C LEU A 81 5.796 2.888 3.707 1.00 54.13 C ATOM 1168 O LEU A 81 6.073 1.855 3.085 1.00 2.40 O ATOM 1169 CB LEU A 81 7.383 2.993 5.674 1.00 40.12 C ATOM 1170 CG LEU A 81 7.650 3.018 7.211 1.00 11.32 C ATOM 1171 CD1 LEU A 81 9.163 3.027 7.510 1.00 42.52 C ATOM 1172 CD2 LEU A 81 6.934 4.208 7.893 1.00 72.13 C ATOM 0 H LEU A 81 5.860 0.857 5.683 1.00 34.30 H new ATOM 0 HA LEU A 81 5.382 3.778 5.639 1.00 34.23 H new ATOM 0 HB2 LEU A 81 7.916 2.143 5.248 1.00 40.12 H new ATOM 0 HB3 LEU A 81 7.816 3.893 5.237 1.00 40.12 H new ATOM 0 HG LEU A 81 7.232 2.104 7.633 1.00 11.32 H new ATOM 0 HD11 LEU A 81 9.321 3.044 8.588 1.00 42.52 H new ATOM 0 HD12 LEU A 81 9.622 2.132 7.091 1.00 42.52 H new ATOM 0 HD13 LEU A 81 9.617 3.911 7.063 1.00 42.52 H new ATOM 0 HD21 LEU A 81 7.142 4.193 8.963 1.00 72.13 H new ATOM 0 HD22 LEU A 81 7.295 5.143 7.466 1.00 72.13 H new ATOM 0 HD23 LEU A 81 5.859 4.127 7.732 1.00 72.13 H new ATOM 1184 N CYS A 82 5.368 4.016 3.116 1.00 41.42 N ATOM 1185 CA CYS A 82 5.362 4.209 1.652 1.00 61.10 C ATOM 1186 C CYS A 82 6.816 4.143 1.111 1.00 64.03 C ATOM 1187 O CYS A 82 7.725 4.630 1.790 1.00 1.33 O ATOM 1188 CB CYS A 82 4.700 5.568 1.307 1.00 53.22 C ATOM 1189 SG CYS A 82 5.431 7.004 2.163 1.00 4.43 S ATOM 0 H CYS A 82 5.017 4.820 3.637 1.00 41.42 H new ATOM 0 HA CYS A 82 4.783 3.416 1.178 1.00 61.10 H new ATOM 0 HB2 CYS A 82 4.769 5.729 0.231 1.00 53.22 H new ATOM 0 HB3 CYS A 82 3.640 5.515 1.554 1.00 53.22 H new ATOM 0 HG CYS A 82 4.560 7.968 2.214 1.00 4.43 H new ATOM 1194 N PRO A 83 7.063 3.508 -0.100 1.00 21.04 N ATOM 1195 CA PRO A 83 8.435 3.324 -0.686 1.00 32.35 C ATOM 1196 C PRO A 83 9.256 4.636 -0.779 1.00 44.05 C ATOM 1197 O PRO A 83 10.497 4.607 -0.712 1.00 13.45 O ATOM 1198 CB PRO A 83 8.164 2.690 -2.090 1.00 14.42 C ATOM 1199 CG PRO A 83 6.687 2.851 -2.332 1.00 4.33 C ATOM 1200 CD PRO A 83 6.041 2.852 -0.961 1.00 70.34 C ATOM 0 HA PRO A 83 9.058 2.694 -0.051 1.00 32.35 H new ATOM 0 HB2 PRO A 83 8.744 3.191 -2.864 1.00 14.42 H new ATOM 0 HB3 PRO A 83 8.451 1.639 -2.107 1.00 14.42 H new ATOM 0 HG2 PRO A 83 6.477 3.779 -2.864 1.00 4.33 H new ATOM 0 HG3 PRO A 83 6.300 2.037 -2.946 1.00 4.33 H new ATOM 0 HD2 PRO A 83 5.101 3.403 -0.960 1.00 70.34 H new ATOM 0 HD3 PRO A 83 5.818 1.841 -0.621 1.00 70.34 H new ATOM 1208 N ARG A 84 8.537 5.763 -0.904 1.00 51.50 N ATOM 1209 CA ARG A 84 9.113 7.131 -0.897 1.00 65.15 C ATOM 1210 C ARG A 84 9.899 7.375 0.408 1.00 62.34 C ATOM 1211 O ARG A 84 11.033 7.882 0.388 1.00 41.10 O ATOM 1212 CB ARG A 84 7.945 8.168 -1.070 1.00 14.13 C ATOM 1213 CG ARG A 84 8.326 9.675 -1.230 1.00 51.35 C ATOM 1214 CD ARG A 84 8.497 10.450 0.096 1.00 63.42 C ATOM 1215 NE ARG A 84 8.642 11.903 -0.120 1.00 62.53 N ATOM 1216 CZ ARG A 84 9.037 12.791 0.809 1.00 23.05 C ATOM 1217 NH1 ARG A 84 9.343 12.403 2.037 1.00 12.11 N ATOM 1218 NH2 ARG A 84 9.123 14.067 0.502 1.00 73.31 N ATOM 0 H ARG A 84 7.523 5.757 -1.015 1.00 51.50 H new ATOM 0 HA ARG A 84 9.815 7.248 -1.722 1.00 65.15 H new ATOM 0 HB2 ARG A 84 7.364 7.875 -1.944 1.00 14.13 H new ATOM 0 HB3 ARG A 84 7.287 8.079 -0.205 1.00 14.13 H new ATOM 0 HG2 ARG A 84 9.256 9.741 -1.794 1.00 51.35 H new ATOM 0 HG3 ARG A 84 7.557 10.168 -1.825 1.00 51.35 H new ATOM 0 HD2 ARG A 84 7.635 10.264 0.737 1.00 63.42 H new ATOM 0 HD3 ARG A 84 9.373 10.074 0.624 1.00 63.42 H new ATOM 0 HE ARG A 84 8.425 12.263 -1.050 1.00 62.53 H new ATOM 0 HH11 ARG A 84 9.281 11.417 2.291 1.00 12.11 H new ATOM 0 HH12 ARG A 84 9.641 13.090 2.730 1.00 12.11 H new ATOM 0 HH21 ARG A 84 8.890 14.382 -0.440 1.00 73.31 H new ATOM 0 HH22 ARG A 84 9.423 14.742 1.206 1.00 73.31 H new ATOM 1232 N CYS A 85 9.262 7.005 1.529 1.00 64.32 N ATOM 1233 CA CYS A 85 9.792 7.223 2.877 1.00 44.11 C ATOM 1234 C CYS A 85 10.811 6.135 3.277 1.00 33.24 C ATOM 1235 O CYS A 85 11.738 6.416 4.046 1.00 22.24 O ATOM 1236 CB CYS A 85 8.618 7.276 3.864 1.00 24.33 C ATOM 1237 SG CYS A 85 7.404 8.546 3.450 1.00 71.34 S ATOM 0 H CYS A 85 8.354 6.541 1.521 1.00 64.32 H new ATOM 0 HA CYS A 85 10.331 8.170 2.898 1.00 44.11 H new ATOM 0 HB2 CYS A 85 8.125 6.304 3.886 1.00 24.33 H new ATOM 0 HB3 CYS A 85 9.002 7.462 4.867 1.00 24.33 H new ATOM 0 HG CYS A 85 6.530 8.057 2.621 1.00 71.34 H new ATOM 1242 N VAL A 86 10.621 4.891 2.768 1.00 52.41 N ATOM 1243 CA VAL A 86 11.547 3.753 3.013 1.00 43.54 C ATOM 1244 C VAL A 86 13.008 4.121 2.651 1.00 70.33 C ATOM 1245 O VAL A 86 13.952 3.748 3.359 1.00 70.32 O ATOM 1246 CB VAL A 86 11.075 2.468 2.222 1.00 41.11 C ATOM 1247 CG1 VAL A 86 12.080 1.298 2.346 1.00 21.03 C ATOM 1248 CG2 VAL A 86 9.664 2.018 2.693 1.00 12.32 C ATOM 0 H VAL A 86 9.825 4.648 2.178 1.00 52.41 H new ATOM 0 HA VAL A 86 11.521 3.528 4.079 1.00 43.54 H new ATOM 0 HB VAL A 86 11.027 2.746 1.169 1.00 41.11 H new ATOM 0 HG11 VAL A 86 11.710 0.440 1.785 1.00 21.03 H new ATOM 0 HG12 VAL A 86 13.046 1.604 1.945 1.00 21.03 H new ATOM 0 HG13 VAL A 86 12.193 1.025 3.395 1.00 21.03 H new ATOM 0 HG21 VAL A 86 9.360 1.132 2.135 1.00 12.32 H new ATOM 0 HG22 VAL A 86 9.693 1.784 3.757 1.00 12.32 H new ATOM 0 HG23 VAL A 86 8.948 2.821 2.517 1.00 12.32 H new ATOM 1258 N VAL A 87 13.181 4.899 1.566 1.00 31.01 N ATOM 1259 CA VAL A 87 14.501 5.421 1.171 1.00 34.43 C ATOM 1260 C VAL A 87 14.792 6.724 1.960 1.00 73.42 C ATOM 1261 O VAL A 87 14.646 7.842 1.453 1.00 11.33 O ATOM 1262 CB VAL A 87 14.608 5.657 -0.382 1.00 41.41 C ATOM 1263 CG1 VAL A 87 16.056 6.024 -0.824 1.00 72.35 C ATOM 1264 CG2 VAL A 87 14.073 4.428 -1.170 1.00 72.00 C ATOM 0 H VAL A 87 12.421 5.180 0.947 1.00 31.01 H new ATOM 0 HA VAL A 87 15.254 4.673 1.418 1.00 34.43 H new ATOM 0 HB VAL A 87 13.978 6.514 -0.620 1.00 41.41 H new ATOM 0 HG11 VAL A 87 16.079 6.177 -1.903 1.00 72.35 H new ATOM 0 HG12 VAL A 87 16.369 6.939 -0.321 1.00 72.35 H new ATOM 0 HG13 VAL A 87 16.734 5.213 -0.558 1.00 72.35 H new ATOM 0 HG21 VAL A 87 14.158 4.617 -2.240 1.00 72.00 H new ATOM 0 HG22 VAL A 87 14.658 3.546 -0.909 1.00 72.00 H new ATOM 0 HG23 VAL A 87 13.027 4.258 -0.914 1.00 72.00 H new