USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 MET CE :methyl -113:sc= -2.46 (180deg=-5.15!) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= -0.425 USER MOD Single : A 35 CYS SG : rot 180:sc= -2.07 USER MOD Single : A 36 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.7!) USER MOD Single : A 43 TYR OH : rot -109:sc= 0.337 USER MOD Single : A 52 SER OG : rot 180:sc= -0.154 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.101 K(o=0.1,f=-4.5!) USER MOD Single : A 60 ASN : amide:sc= -4.28 K(o=-4.3,f=-18!) USER MOD Single : A 62 MET CE :methyl 168:sc=-0.00208 (180deg=-0.159) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -160:sc= 0.324 USER MOD Single : A 84 ASN : amide:sc= -0.0434 K(o=-0.043,f=-0.64) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.047) USER MOD ----------------------------------------------------------------- ATOM 467 N VAL A 34 -8.346 -3.010 3.057 1.00 0.00 N ATOM 468 CA VAL A 34 -8.936 -3.689 1.910 1.00 0.00 C ATOM 469 C VAL A 34 -8.263 -5.034 1.661 1.00 0.00 C ATOM 470 O VAL A 34 -8.887 -5.969 1.158 1.00 0.00 O ATOM 471 CB VAL A 34 -8.832 -2.832 0.635 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.395 -2.782 0.140 1.00 0.00 C ATOM 473 CG2 VAL A 34 -9.758 -3.370 -0.446 1.00 0.00 C ATOM 0 HA VAL A 34 -9.988 -3.850 2.145 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.144 -1.816 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.342 -2.172 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.760 -2.346 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.052 -3.792 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.671 -2.752 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.480 -4.396 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.787 -3.348 -0.088 1.00 0.00 H new ATOM 483 N CYS A 35 -6.986 -5.125 2.018 1.00 0.00 N ATOM 484 CA CYS A 35 -6.226 -6.356 1.833 1.00 0.00 C ATOM 485 C CYS A 35 -4.859 -6.257 2.502 1.00 0.00 C ATOM 486 O CYS A 35 -4.520 -5.232 3.093 1.00 0.00 O ATOM 487 CB CYS A 35 -6.058 -6.658 0.343 1.00 0.00 C ATOM 488 SG CYS A 35 -4.986 -5.492 -0.529 1.00 0.00 S ATOM 0 H CYS A 35 -6.456 -4.361 2.437 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.781 -7.170 2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.652 -7.663 0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.040 -6.656 -0.130 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.904 -5.831 -1.781 1.00 0.00 H new ATOM 494 N GLN A 36 -4.080 -7.329 2.405 1.00 0.00 N ATOM 495 CA GLN A 36 -2.751 -7.363 3.003 1.00 0.00 C ATOM 496 C GLN A 36 -1.693 -7.712 1.961 1.00 0.00 C ATOM 497 O GLN A 36 -1.747 -8.772 1.338 1.00 0.00 O ATOM 498 CB GLN A 36 -2.709 -8.377 4.148 1.00 0.00 C ATOM 499 CG GLN A 36 -1.584 -8.129 5.140 1.00 0.00 C ATOM 500 CD GLN A 36 -1.103 -9.403 5.807 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.673 -10.476 5.607 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.047 -9.291 6.605 1.00 0.00 N ATOM 0 H GLN A 36 -4.346 -8.185 1.918 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.533 -6.370 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.661 -8.354 4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.601 -9.378 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.748 -7.655 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.925 -7.430 5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.394 -8.382 6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.322 -10.114 7.081 1.00 0.00 H new ATOM 511 N VAL A 37 -0.733 -6.812 1.776 1.00 0.00 N ATOM 512 CA VAL A 37 0.338 -7.024 0.809 1.00 0.00 C ATOM 513 C VAL A 37 1.699 -7.061 1.495 1.00 0.00 C ATOM 514 O VAL A 37 1.805 -6.818 2.698 1.00 0.00 O ATOM 515 CB VAL A 37 0.348 -5.923 -0.268 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.999 -5.852 -0.972 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.709 -4.579 0.347 1.00 0.00 C ATOM 0 H VAL A 37 -0.675 -5.929 2.283 1.00 0.00 H new ATOM 0 HA VAL A 37 0.148 -7.986 0.333 1.00 0.00 H new ATOM 0 HB VAL A 37 1.106 -6.172 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.973 -5.069 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.212 -6.809 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.779 -5.627 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.711 -3.813 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.024 -4.320 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.699 -4.640 0.800 1.00 0.00 H new ATOM 527 N ILE A 38 2.736 -7.365 0.723 1.00 0.00 N ATOM 528 CA ILE A 38 4.091 -7.432 1.256 1.00 0.00 C ATOM 529 C ILE A 38 5.067 -6.659 0.376 1.00 0.00 C ATOM 530 O ILE A 38 4.926 -6.629 -0.846 1.00 0.00 O ATOM 531 CB ILE A 38 4.575 -8.888 1.384 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.704 -8.985 2.412 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.035 -9.414 0.033 1.00 0.00 C ATOM 534 CD1 ILE A 38 6.003 -10.403 2.849 1.00 0.00 C ATOM 0 H ILE A 38 2.664 -7.569 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 38 4.062 -6.979 2.247 1.00 0.00 H new ATOM 0 HB ILE A 38 3.743 -9.503 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.608 -8.545 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.440 -8.392 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.374 -10.444 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.206 -9.376 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.855 -8.799 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.813 -10.396 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.112 -10.840 3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.299 -10.996 1.983 1.00 0.00 H new ATOM 546 N ALA A 39 6.059 -6.037 1.005 1.00 0.00 N ATOM 547 CA ALA A 39 7.061 -5.267 0.279 1.00 0.00 C ATOM 548 C ALA A 39 7.943 -6.177 -0.570 1.00 0.00 C ATOM 549 O ALA A 39 8.461 -7.183 -0.085 1.00 0.00 O ATOM 550 CB ALA A 39 7.912 -4.460 1.249 1.00 0.00 C ATOM 0 H ALA A 39 6.190 -6.052 2.016 1.00 0.00 H new ATOM 0 HA ALA A 39 6.542 -4.580 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.656 -3.890 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.275 -3.776 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.415 -5.136 1.941 1.00 0.00 H new ATOM 556 N MET A 40 8.108 -5.818 -1.839 1.00 0.00 N ATOM 557 CA MET A 40 8.927 -6.602 -2.755 1.00 0.00 C ATOM 558 C MET A 40 10.385 -6.157 -2.697 1.00 0.00 C ATOM 559 O MET A 40 11.298 -6.961 -2.888 1.00 0.00 O ATOM 560 CB MET A 40 8.398 -6.473 -4.184 1.00 0.00 C ATOM 561 CG MET A 40 7.085 -7.203 -4.415 1.00 0.00 C ATOM 562 SD MET A 40 6.779 -7.548 -6.158 1.00 0.00 S ATOM 563 CE MET A 40 6.914 -5.904 -6.857 1.00 0.00 C ATOM 0 H MET A 40 7.685 -4.989 -2.256 1.00 0.00 H new ATOM 0 HA MET A 40 8.872 -7.647 -2.449 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.263 -5.417 -4.419 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.146 -6.860 -4.876 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.092 -8.141 -3.859 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.266 -6.603 -4.018 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.940 -5.585 -7.228 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.255 -5.209 -6.090 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.629 -5.916 -7.679 1.00 0.00 H new ATOM 573 N TYR A 41 10.596 -4.872 -2.433 1.00 0.00 N ATOM 574 CA TYR A 41 11.943 -4.320 -2.353 1.00 0.00 C ATOM 575 C TYR A 41 12.072 -3.365 -1.170 1.00 0.00 C ATOM 576 O TYR A 41 11.095 -2.744 -0.751 1.00 0.00 O ATOM 577 CB TYR A 41 12.296 -3.592 -3.651 1.00 0.00 C ATOM 578 CG TYR A 41 11.660 -4.201 -4.880 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.252 -5.274 -5.534 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.465 -3.704 -5.386 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.674 -5.833 -6.657 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.879 -4.258 -6.508 1.00 0.00 C ATOM 583 CZ TYR A 41 10.487 -5.322 -7.140 1.00 0.00 C ATOM 584 OH TYR A 41 9.908 -5.877 -8.258 1.00 0.00 O ATOM 0 H TYR A 41 9.852 -4.194 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 41 12.638 -5.146 -2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.985 -2.551 -3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.379 -3.592 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.180 -5.678 -5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.986 -2.870 -4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.149 -6.666 -7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.950 -3.860 -6.888 1.00 0.00 H new ATOM 0 HH TYR A 41 10.136 -6.829 -8.306 1.00 0.00 H new ATOM 594 N ASP A 42 13.283 -3.253 -0.638 1.00 0.00 N ATOM 595 CA ASP A 42 13.542 -2.373 0.496 1.00 0.00 C ATOM 596 C ASP A 42 13.211 -0.925 0.147 1.00 0.00 C ATOM 597 O ASP A 42 14.012 -0.228 -0.478 1.00 0.00 O ATOM 598 CB ASP A 42 15.004 -2.484 0.932 1.00 0.00 C ATOM 599 CG ASP A 42 15.494 -3.918 0.954 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.864 -4.436 -0.121 1.00 0.00 O ATOM 601 OD2 ASP A 42 15.509 -4.524 2.046 1.00 0.00 O ATOM 0 H ASP A 42 14.102 -3.761 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 42 12.901 -2.685 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.627 -1.900 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.118 -2.049 1.925 1.00 0.00 H new ATOM 606 N TYR A 43 12.027 -0.480 0.552 1.00 0.00 N ATOM 607 CA TYR A 43 11.589 0.883 0.279 1.00 0.00 C ATOM 608 C TYR A 43 12.037 1.832 1.386 1.00 0.00 C ATOM 609 O TYR A 43 11.950 1.507 2.570 1.00 0.00 O ATOM 610 CB TYR A 43 10.067 0.933 0.135 1.00 0.00 C ATOM 611 CG TYR A 43 9.567 2.162 -0.590 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.718 3.428 -0.037 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.943 2.058 -1.827 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.262 4.554 -0.695 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.485 3.179 -2.493 1.00 0.00 C ATOM 616 CZ TYR A 43 8.647 4.424 -1.923 1.00 0.00 C ATOM 617 OH TYR A 43 8.191 5.543 -2.582 1.00 0.00 O ATOM 0 H TYR A 43 11.353 -1.044 1.071 1.00 0.00 H new ATOM 0 HA TYR A 43 12.047 1.203 -0.657 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.732 0.044 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.615 0.897 1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.200 3.533 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.814 1.084 -2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.386 5.530 -0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.003 3.080 -3.454 1.00 0.00 H new ATOM 0 HH TYR A 43 7.211 5.556 -2.566 1.00 0.00 H new ATOM 627 N ALA A 44 12.517 3.007 0.992 1.00 0.00 N ATOM 628 CA ALA A 44 12.977 4.005 1.950 1.00 0.00 C ATOM 629 C ALA A 44 12.300 5.349 1.709 1.00 0.00 C ATOM 630 O ALA A 44 12.582 6.030 0.724 1.00 0.00 O ATOM 631 CB ALA A 44 14.490 4.152 1.873 1.00 0.00 C ATOM 0 H ALA A 44 12.597 3.291 0.016 1.00 0.00 H new ATOM 0 HA ALA A 44 12.706 3.666 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.820 4.900 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.961 3.196 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.774 4.465 0.869 1.00 0.00 H new ATOM 637 N ALA A 45 11.404 5.726 2.616 1.00 0.00 N ATOM 638 CA ALA A 45 10.687 6.990 2.503 1.00 0.00 C ATOM 639 C ALA A 45 11.627 8.174 2.701 1.00 0.00 C ATOM 640 O ALA A 45 12.143 8.392 3.797 1.00 0.00 O ATOM 641 CB ALA A 45 9.548 7.043 3.510 1.00 0.00 C ATOM 0 H ALA A 45 11.158 5.174 3.437 1.00 0.00 H new ATOM 0 HA ALA A 45 10.271 7.055 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.021 7.993 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.855 6.223 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.950 6.951 4.519 1.00 0.00 H new ATOM 702 N GLU A 50 6.337 9.648 2.867 1.00 0.00 N ATOM 703 CA GLU A 50 6.416 8.286 2.353 1.00 0.00 C ATOM 704 C GLU A 50 6.570 7.283 3.493 1.00 0.00 C ATOM 705 O GLU A 50 6.728 7.664 4.654 1.00 0.00 O ATOM 706 CB GLU A 50 7.587 8.151 1.379 1.00 0.00 C ATOM 707 CG GLU A 50 7.335 8.804 0.030 1.00 0.00 C ATOM 708 CD GLU A 50 8.396 8.453 -0.995 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.518 8.088 -0.586 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.105 8.544 -2.206 1.00 0.00 O ATOM 0 HA GLU A 50 5.487 8.070 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.475 8.595 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.802 7.093 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.359 8.494 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.300 9.886 0.155 1.00 0.00 H new ATOM 717 N LEU A 51 6.523 5.999 3.154 1.00 0.00 N ATOM 718 CA LEU A 51 6.656 4.940 4.148 1.00 0.00 C ATOM 719 C LEU A 51 7.969 4.185 3.965 1.00 0.00 C ATOM 720 O LEU A 51 8.270 3.697 2.876 1.00 0.00 O ATOM 721 CB LEU A 51 5.478 3.969 4.049 1.00 0.00 C ATOM 722 CG LEU A 51 5.024 3.329 5.361 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.885 2.353 5.113 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.189 2.629 6.045 1.00 0.00 C ATOM 0 H LEU A 51 6.394 5.666 2.198 1.00 0.00 H new ATOM 0 HA LEU A 51 6.657 5.400 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.631 4.500 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.746 3.174 3.354 1.00 0.00 H new ATOM 0 HG LEU A 51 4.662 4.118 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.575 1.907 6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.042 2.882 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.219 1.568 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.847 2.179 6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.582 1.851 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.974 3.354 6.259 1.00 0.00 H new ATOM 736 N SER A 52 8.746 4.091 5.040 1.00 0.00 N ATOM 737 CA SER A 52 10.027 3.396 4.998 1.00 0.00 C ATOM 738 C SER A 52 9.888 1.967 5.512 1.00 0.00 C ATOM 739 O SER A 52 9.587 1.743 6.685 1.00 0.00 O ATOM 740 CB SER A 52 11.068 4.150 5.829 1.00 0.00 C ATOM 741 OG SER A 52 11.526 5.304 5.147 1.00 0.00 O ATOM 0 H SER A 52 8.511 4.487 5.950 1.00 0.00 H new ATOM 0 HA SER A 52 10.358 3.359 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.634 4.438 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.911 3.493 6.045 1.00 0.00 H new ATOM 0 HG SER A 52 12.189 5.769 5.699 1.00 0.00 H new ATOM 747 N PHE A 53 10.108 1.001 4.626 1.00 0.00 N ATOM 748 CA PHE A 53 10.006 -0.407 4.988 1.00 0.00 C ATOM 749 C PHE A 53 11.056 -1.236 4.254 1.00 0.00 C ATOM 750 O PHE A 53 11.697 -0.757 3.318 1.00 0.00 O ATOM 751 CB PHE A 53 8.607 -0.938 4.668 1.00 0.00 C ATOM 752 CG PHE A 53 8.166 -0.656 3.261 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.576 0.554 2.934 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.342 -1.602 2.263 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.170 0.817 1.640 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.938 -1.345 0.967 1.00 0.00 C ATOM 757 CZ PHE A 53 7.350 -0.135 0.655 1.00 0.00 C ATOM 0 H PHE A 53 10.358 1.168 3.651 1.00 0.00 H new ATOM 0 HA PHE A 53 10.184 -0.494 6.060 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.588 -2.015 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.892 -0.494 5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.432 1.301 3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.800 -2.551 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.713 1.765 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.082 -2.090 0.198 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.031 0.067 -0.357 1.00 0.00 H new ATOM 767 N SER A 54 11.228 -2.481 4.686 1.00 0.00 N ATOM 768 CA SER A 54 12.203 -3.375 4.074 1.00 0.00 C ATOM 769 C SER A 54 11.514 -4.581 3.443 1.00 0.00 C ATOM 770 O SER A 54 10.441 -4.997 3.880 1.00 0.00 O ATOM 771 CB SER A 54 13.222 -3.843 5.115 1.00 0.00 C ATOM 772 OG SER A 54 14.063 -2.777 5.520 1.00 0.00 O ATOM 0 H SER A 54 10.704 -2.893 5.458 1.00 0.00 H new ATOM 0 HA SER A 54 12.722 -2.824 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.701 -4.249 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.826 -4.650 4.700 1.00 0.00 H new ATOM 0 HG SER A 54 14.704 -3.101 6.187 1.00 0.00 H new ATOM 778 N LYS A 55 12.137 -5.137 2.410 1.00 0.00 N ATOM 779 CA LYS A 55 11.587 -6.296 1.717 1.00 0.00 C ATOM 780 C LYS A 55 11.018 -7.304 2.710 1.00 0.00 C ATOM 781 O LYS A 55 11.712 -7.752 3.622 1.00 0.00 O ATOM 782 CB LYS A 55 12.665 -6.962 0.858 1.00 0.00 C ATOM 783 CG LYS A 55 12.241 -8.302 0.282 1.00 0.00 C ATOM 784 CD LYS A 55 13.346 -8.923 -0.556 1.00 0.00 C ATOM 785 CE LYS A 55 12.783 -9.855 -1.618 1.00 0.00 C ATOM 786 NZ LYS A 55 13.859 -10.598 -2.331 1.00 0.00 N ATOM 0 H LYS A 55 13.024 -4.803 2.034 1.00 0.00 H new ATOM 0 HA LYS A 55 10.779 -5.952 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.931 -6.292 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.563 -7.102 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.974 -8.979 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.349 -8.170 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.928 -8.135 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.027 -9.476 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.099 -10.565 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.203 -9.277 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.434 -11.222 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.498 -9.922 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.397 -11.169 -1.649 1.00 0.00 H new ATOM 800 N GLY A 56 9.750 -7.659 2.525 1.00 0.00 N ATOM 801 CA GLY A 56 9.110 -8.613 3.412 1.00 0.00 C ATOM 802 C GLY A 56 8.544 -7.959 4.657 1.00 0.00 C ATOM 803 O GLY A 56 8.511 -8.568 5.725 1.00 0.00 O ATOM 0 H GLY A 56 9.155 -7.303 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.308 -9.121 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.833 -9.375 3.703 1.00 0.00 H new ATOM 807 N GLN A 57 8.098 -6.714 4.519 1.00 0.00 N ATOM 808 CA GLN A 57 7.533 -5.976 5.642 1.00 0.00 C ATOM 809 C GLN A 57 6.029 -6.207 5.744 1.00 0.00 C ATOM 810 O GLN A 57 5.404 -6.717 4.813 1.00 0.00 O ATOM 811 CB GLN A 57 7.823 -4.481 5.495 1.00 0.00 C ATOM 812 CG GLN A 57 7.504 -3.675 6.744 1.00 0.00 C ATOM 813 CD GLN A 57 8.208 -4.205 7.977 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.659 -5.023 8.716 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.431 -3.740 8.207 1.00 0.00 N ATOM 0 H GLN A 57 8.117 -6.196 3.641 1.00 0.00 H new ATOM 0 HA GLN A 57 8.001 -6.341 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.875 -4.346 5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.243 -4.087 4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.792 -2.636 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.427 -3.685 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.848 -3.063 7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.953 -4.060 9.022 1.00 0.00 H new ATOM 824 N LEU A 58 5.453 -5.829 6.880 1.00 0.00 N ATOM 825 CA LEU A 58 4.022 -5.995 7.104 1.00 0.00 C ATOM 826 C LEU A 58 3.250 -4.768 6.629 1.00 0.00 C ATOM 827 O LEU A 58 3.225 -3.739 7.305 1.00 0.00 O ATOM 828 CB LEU A 58 3.743 -6.244 8.587 1.00 0.00 C ATOM 829 CG LEU A 58 2.364 -5.817 9.092 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.268 -6.441 8.244 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.191 -6.197 10.555 1.00 0.00 C ATOM 0 H LEU A 58 5.955 -5.405 7.660 1.00 0.00 H new ATOM 0 HA LEU A 58 3.687 -6.858 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.867 -7.309 8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.500 -5.721 9.171 1.00 0.00 H new ATOM 0 HG LEU A 58 2.287 -4.733 9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.294 -6.126 8.619 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.381 -6.118 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.342 -7.527 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.204 -5.886 10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.289 -7.277 10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.956 -5.701 11.153 1.00 0.00 H new ATOM 843 N ILE A 59 2.621 -4.885 5.464 1.00 0.00 N ATOM 844 CA ILE A 59 1.847 -3.786 4.901 1.00 0.00 C ATOM 845 C ILE A 59 0.420 -4.224 4.588 1.00 0.00 C ATOM 846 O ILE A 59 0.200 -5.262 3.966 1.00 0.00 O ATOM 847 CB ILE A 59 2.497 -3.239 3.617 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.871 -2.642 3.929 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.596 -2.198 2.969 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.760 -2.502 2.713 1.00 0.00 C ATOM 0 H ILE A 59 2.632 -5.730 4.892 1.00 0.00 H new ATOM 0 HA ILE A 59 1.827 -2.997 5.652 1.00 0.00 H new ATOM 0 HB ILE A 59 2.630 -4.063 2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.737 -1.661 4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.372 -3.270 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.069 -1.821 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.638 -2.653 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.434 -1.374 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.717 -2.072 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.925 -3.483 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.279 -1.849 1.984 1.00 0.00 H new ATOM 862 N ASN A 60 -0.548 -3.423 5.023 1.00 0.00 N ATOM 863 CA ASN A 60 -1.955 -3.726 4.788 1.00 0.00 C ATOM 864 C ASN A 60 -2.635 -2.594 4.024 1.00 0.00 C ATOM 865 O ASN A 60 -2.944 -1.546 4.591 1.00 0.00 O ATOM 866 CB ASN A 60 -2.675 -3.965 6.116 1.00 0.00 C ATOM 867 CG ASN A 60 -2.005 -5.039 6.952 1.00 0.00 C ATOM 868 OD1 ASN A 60 -0.797 -5.254 6.854 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.789 -5.718 7.781 1.00 0.00 N ATOM 0 H ASN A 60 -0.383 -2.559 5.540 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.010 -4.632 4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.706 -3.034 6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.708 -4.253 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.395 -6.452 8.370 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.786 -5.506 7.829 1.00 0.00 H new ATOM 876 N VAL A 61 -2.867 -2.814 2.733 1.00 0.00 N ATOM 877 CA VAL A 61 -3.513 -1.814 1.891 1.00 0.00 C ATOM 878 C VAL A 61 -4.891 -1.449 2.431 1.00 0.00 C ATOM 879 O VAL A 61 -5.756 -2.310 2.585 1.00 0.00 O ATOM 880 CB VAL A 61 -3.656 -2.310 0.440 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.312 -1.246 -0.426 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.300 -2.706 -0.123 1.00 0.00 C ATOM 0 H VAL A 61 -2.617 -3.676 2.248 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.876 -0.930 1.903 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.297 -3.192 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.405 -1.615 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.302 -1.016 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.700 -0.344 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.420 -3.054 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.634 -1.843 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.873 -3.505 0.484 1.00 0.00 H new ATOM 892 N MET A 62 -5.088 -0.165 2.714 1.00 0.00 N ATOM 893 CA MET A 62 -6.363 0.314 3.235 1.00 0.00 C ATOM 894 C MET A 62 -7.080 1.181 2.204 1.00 0.00 C ATOM 895 O MET A 62 -8.302 1.123 2.073 1.00 0.00 O ATOM 896 CB MET A 62 -6.145 1.110 4.524 1.00 0.00 C ATOM 897 CG MET A 62 -5.414 0.329 5.603 1.00 0.00 C ATOM 898 SD MET A 62 -4.655 1.399 6.841 1.00 0.00 S ATOM 899 CE MET A 62 -6.081 2.318 7.414 1.00 0.00 C ATOM 0 H MET A 62 -4.382 0.561 2.591 1.00 0.00 H new ATOM 0 HA MET A 62 -6.987 -0.553 3.453 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.579 2.012 4.293 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.112 1.431 4.911 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.114 -0.348 6.093 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.644 -0.288 5.141 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.821 2.864 8.321 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.394 3.022 6.643 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.897 1.628 7.628 1.00 0.00 H new ATOM 909 N ASN A 63 -6.311 1.983 1.475 1.00 0.00 N ATOM 910 CA ASN A 63 -6.874 2.862 0.456 1.00 0.00 C ATOM 911 C ASN A 63 -6.085 2.761 -0.846 1.00 0.00 C ATOM 912 O ASN A 63 -4.977 3.287 -0.956 1.00 0.00 O ATOM 913 CB ASN A 63 -6.881 4.311 0.950 1.00 0.00 C ATOM 914 CG ASN A 63 -8.164 4.668 1.675 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.184 4.792 2.900 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.243 4.835 0.920 1.00 0.00 N ATOM 0 H ASN A 63 -5.297 2.043 1.571 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.899 2.545 0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.034 4.469 1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.747 4.982 0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.135 5.076 1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.180 4.722 -0.092 1.00 0.00 H new ATOM 923 N LYS A 64 -6.663 2.081 -1.830 1.00 0.00 N ATOM 924 CA LYS A 64 -6.017 1.911 -3.126 1.00 0.00 C ATOM 925 C LYS A 64 -6.811 2.609 -4.226 1.00 0.00 C ATOM 926 O LYS A 64 -6.905 2.111 -5.347 1.00 0.00 O ATOM 927 CB LYS A 64 -5.869 0.424 -3.454 1.00 0.00 C ATOM 928 CG LYS A 64 -7.194 -0.286 -3.670 1.00 0.00 C ATOM 929 CD LYS A 64 -7.056 -1.439 -4.650 1.00 0.00 C ATOM 930 CE LYS A 64 -6.173 -2.543 -4.090 1.00 0.00 C ATOM 931 NZ LYS A 64 -6.407 -3.843 -4.777 1.00 0.00 N ATOM 0 H LYS A 64 -7.579 1.638 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.028 2.365 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.259 0.317 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.331 -0.067 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.567 -0.660 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.932 0.424 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.042 -1.842 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.634 -1.074 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.126 -2.259 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.366 -2.656 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.786 -4.569 -4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.400 -4.127 -4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.198 -3.742 -5.791 1.00 0.00 H new ATOM 945 N ASP A 65 -7.379 3.764 -3.897 1.00 0.00 N ATOM 946 CA ASP A 65 -8.163 4.531 -4.858 1.00 0.00 C ATOM 947 C ASP A 65 -7.421 4.661 -6.185 1.00 0.00 C ATOM 948 O ASP A 65 -8.020 4.558 -7.255 1.00 0.00 O ATOM 949 CB ASP A 65 -8.478 5.919 -4.298 1.00 0.00 C ATOM 950 CG ASP A 65 -7.287 6.548 -3.603 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.200 6.595 -4.216 1.00 0.00 O ATOM 952 OD2 ASP A 65 -7.441 6.992 -2.446 1.00 0.00 O ATOM 0 H ASP A 65 -7.311 4.190 -2.972 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.097 3.998 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.806 6.569 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.307 5.844 -3.595 1.00 0.00 H new ATOM 957 N ASP A 66 -6.114 4.888 -6.106 1.00 0.00 N ATOM 958 CA ASP A 66 -5.290 5.031 -7.301 1.00 0.00 C ATOM 959 C ASP A 66 -4.493 3.758 -7.567 1.00 0.00 C ATOM 960 O ASP A 66 -3.779 3.251 -6.703 1.00 0.00 O ATOM 961 CB ASP A 66 -4.340 6.220 -7.150 1.00 0.00 C ATOM 962 CG ASP A 66 -5.066 7.550 -7.183 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.286 8.079 -8.293 1.00 0.00 O ATOM 964 OD2 ASP A 66 -5.416 8.062 -6.099 1.00 0.00 O ATOM 0 H ASP A 66 -5.603 4.977 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.951 5.208 -8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.796 6.130 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.600 6.194 -7.950 1.00 0.00 H new ATOM 969 N PRO A 67 -4.619 3.227 -8.793 1.00 0.00 N ATOM 970 CA PRO A 67 -3.918 2.006 -9.202 1.00 0.00 C ATOM 971 C PRO A 67 -2.415 2.219 -9.341 1.00 0.00 C ATOM 972 O PRO A 67 -1.683 1.309 -9.731 1.00 0.00 O ATOM 973 CB PRO A 67 -4.540 1.679 -10.562 1.00 0.00 C ATOM 974 CG PRO A 67 -5.027 2.988 -11.080 1.00 0.00 C ATOM 975 CD PRO A 67 -5.453 3.778 -9.874 1.00 0.00 C ATOM 0 HA PRO A 67 -4.025 1.209 -8.466 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.808 1.234 -11.236 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.357 0.964 -10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.241 3.507 -11.629 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.860 2.849 -11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.280 4.845 -10.011 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.515 3.652 -9.666 1.00 0.00 H new ATOM 983 N ASP A 68 -1.961 3.425 -9.019 1.00 0.00 N ATOM 984 CA ASP A 68 -0.543 3.757 -9.106 1.00 0.00 C ATOM 985 C ASP A 68 0.122 3.663 -7.737 1.00 0.00 C ATOM 986 O ASP A 68 1.164 3.026 -7.584 1.00 0.00 O ATOM 987 CB ASP A 68 -0.361 5.162 -9.681 1.00 0.00 C ATOM 988 CG ASP A 68 -1.407 5.501 -10.724 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.483 6.009 -10.343 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.150 5.260 -11.922 1.00 0.00 O ATOM 0 H ASP A 68 -2.554 4.189 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.066 3.037 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.409 5.891 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.631 5.244 -10.126 1.00 0.00 H new ATOM 995 N TRP A 69 -0.486 4.303 -6.744 1.00 0.00 N ATOM 996 CA TRP A 69 0.048 4.293 -5.387 1.00 0.00 C ATOM 997 C TRP A 69 -0.990 3.777 -4.397 1.00 0.00 C ATOM 998 O TRP A 69 -2.185 4.029 -4.550 1.00 0.00 O ATOM 999 CB TRP A 69 0.501 5.698 -4.985 1.00 0.00 C ATOM 1000 CG TRP A 69 1.883 6.034 -5.455 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.297 6.177 -6.749 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.034 6.267 -4.635 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.636 6.485 -6.783 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.111 6.547 -5.499 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.259 6.269 -3.256 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.391 6.823 -5.027 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.530 6.543 -2.789 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.583 6.818 -3.672 1.00 0.00 C ATOM 0 H TRP A 69 -1.349 4.835 -6.853 1.00 0.00 H new ATOM 0 HA TRP A 69 0.907 3.622 -5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.200 6.428 -5.390 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.462 5.788 -3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.665 6.065 -7.618 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.187 6.642 -7.627 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.454 6.060 -2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.204 7.034 -5.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.715 6.545 -1.725 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.565 7.030 -3.275 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.526 3.055 -3.384 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.417 2.504 -2.368 1.00 0.00 C ATOM 1021 C TRP A 70 -1.013 2.976 -0.976 1.00 0.00 C ATOM 1022 O TRP A 70 0.050 3.571 -0.798 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.405 0.975 -2.426 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.072 0.421 -3.648 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.931 1.079 -4.482 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.936 -0.904 -4.172 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.337 0.242 -5.493 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.741 -0.980 -5.326 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.212 -2.033 -3.780 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.840 -2.141 -6.088 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.313 -3.185 -4.538 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.121 -3.232 -5.681 1.00 0.00 C ATOM 0 H TRP A 70 0.461 2.837 -3.244 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.426 2.861 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.373 0.626 -2.394 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.902 0.581 -1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.245 2.106 -4.364 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.978 0.490 -6.246 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.585 -2.006 -2.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.463 -2.179 -6.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.759 -4.064 -4.243 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.178 -4.147 -6.252 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.866 2.706 0.007 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.596 3.105 1.383 1.00 0.00 C ATOM 1045 C GLN A 71 -1.728 1.916 2.330 1.00 0.00 C ATOM 1046 O GLN A 71 -2.742 1.219 2.330 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.552 4.220 1.810 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.316 4.714 3.228 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.248 5.846 3.615 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.298 6.037 3.002 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.866 6.604 4.636 1.00 0.00 N ATOM 0 H GLN A 71 -2.749 2.213 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.572 3.475 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.450 5.058 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.577 3.860 1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.448 3.886 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.283 5.050 3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.987 6.409 5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.452 7.381 4.941 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.695 1.690 3.136 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.715 0.585 4.076 1.00 0.00 C ATOM 1062 C GLY A 72 -0.166 0.970 5.435 1.00 0.00 C ATOM 1063 O GLY A 72 0.344 2.075 5.615 1.00 0.00 O ATOM 0 H GLY A 72 0.155 2.253 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.738 0.227 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.131 -0.242 3.672 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.271 0.056 6.395 1.00 0.00 N ATOM 1068 CA GLU A 73 0.218 0.307 7.745 1.00 0.00 C ATOM 1069 C GLU A 73 1.320 -0.681 8.118 1.00 0.00 C ATOM 1070 O GLU A 73 1.246 -1.864 7.784 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.930 0.212 8.753 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.447 -1.202 8.954 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.320 -1.334 10.186 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.188 -0.492 11.099 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -3.135 -2.279 10.239 1.00 0.00 O ATOM 0 H GLU A 73 -0.690 -0.864 6.262 1.00 0.00 H new ATOM 0 HA GLU A 73 0.633 1.314 7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.594 0.607 9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.751 0.846 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.017 -1.505 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.602 -1.885 9.037 1.00 0.00 H new ATOM 1082 N ILE A 74 2.340 -0.186 8.811 1.00 0.00 N ATOM 1083 CA ILE A 74 3.457 -1.024 9.229 1.00 0.00 C ATOM 1084 C ILE A 74 3.829 -0.758 10.684 1.00 0.00 C ATOM 1085 O ILE A 74 4.528 0.207 10.989 1.00 0.00 O ATOM 1086 CB ILE A 74 4.695 -0.795 8.344 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.301 -0.803 6.865 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.749 -1.857 8.622 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.445 -0.473 5.933 1.00 0.00 C ATOM 0 H ILE A 74 2.416 0.791 9.095 1.00 0.00 H new ATOM 0 HA ILE A 74 3.132 -2.059 9.123 1.00 0.00 H new ATOM 0 HB ILE A 74 5.118 0.181 8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.906 -1.786 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.496 -0.085 6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.618 -1.681 7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.047 -1.808 9.669 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.337 -2.843 8.408 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.093 -0.497 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.826 0.522 6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.242 -1.205 6.062 1.00 0.00 H new ATOM 1101 N ASN A 75 3.359 -1.623 11.577 1.00 0.00 N ATOM 1102 CA ASN A 75 3.644 -1.482 13.001 1.00 0.00 C ATOM 1103 C ASN A 75 3.023 -0.203 13.556 1.00 0.00 C ATOM 1104 O ASN A 75 3.690 0.581 14.230 1.00 0.00 O ATOM 1105 CB ASN A 75 5.155 -1.475 13.241 1.00 0.00 C ATOM 1106 CG ASN A 75 5.708 -2.865 13.486 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.765 -3.331 14.624 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.119 -3.535 12.415 1.00 0.00 N ATOM 0 H ASN A 75 2.780 -2.428 11.340 1.00 0.00 H new ATOM 0 HA ASN A 75 3.204 -2.333 13.521 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.655 -1.035 12.378 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.381 -0.841 14.098 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.501 -4.475 12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.053 -3.109 11.491 1.00 0.00 H new ATOM 1115 N GLY A 76 1.741 0.000 13.266 1.00 0.00 N ATOM 1116 CA GLY A 76 1.052 1.184 13.744 1.00 0.00 C ATOM 1117 C GLY A 76 1.488 2.442 13.019 1.00 0.00 C ATOM 1118 O GLY A 76 1.131 3.551 13.415 1.00 0.00 O ATOM 0 H GLY A 76 1.168 -0.634 12.709 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.023 1.050 13.619 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.236 1.302 14.812 1.00 0.00 H new ATOM 1122 N VAL A 77 2.263 2.269 11.953 1.00 0.00 N ATOM 1123 CA VAL A 77 2.749 3.399 11.170 1.00 0.00 C ATOM 1124 C VAL A 77 2.056 3.467 9.814 1.00 0.00 C ATOM 1125 O VAL A 77 1.817 2.443 9.174 1.00 0.00 O ATOM 1126 CB VAL A 77 4.272 3.318 10.953 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.589 2.548 9.680 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.878 4.712 10.907 1.00 0.00 C ATOM 0 H VAL A 77 2.568 1.357 11.612 1.00 0.00 H new ATOM 0 HA VAL A 77 2.518 4.300 11.738 1.00 0.00 H new ATOM 0 HB VAL A 77 4.714 2.782 11.793 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.669 2.501 9.543 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.188 1.537 9.757 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.137 3.054 8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.954 4.636 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.433 5.275 10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.681 5.225 11.848 1.00 0.00 H new ATOM 1138 N THR A 78 1.735 4.682 9.380 1.00 0.00 N ATOM 1139 CA THR A 78 1.068 4.884 8.100 1.00 0.00 C ATOM 1140 C THR A 78 1.886 5.796 7.192 1.00 0.00 C ATOM 1141 O THR A 78 2.513 6.748 7.655 1.00 0.00 O ATOM 1142 CB THR A 78 -0.336 5.490 8.287 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.245 6.720 9.015 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.248 4.524 9.027 1.00 0.00 C ATOM 0 H THR A 78 1.926 5.541 9.896 1.00 0.00 H new ATOM 0 HA THR A 78 0.973 3.903 7.635 1.00 0.00 H new ATOM 0 HB THR A 78 -0.759 5.682 7.301 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.141 7.100 9.128 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.234 4.974 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.338 3.599 8.457 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.827 4.305 10.008 1.00 0.00 H new ATOM 1152 N GLY A 79 1.874 5.499 5.896 1.00 0.00 N ATOM 1153 CA GLY A 79 2.618 6.303 4.944 1.00 0.00 C ATOM 1154 C GLY A 79 2.096 6.156 3.529 1.00 0.00 C ATOM 1155 O GLY A 79 0.944 5.775 3.320 1.00 0.00 O ATOM 0 H GLY A 79 1.362 4.716 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.567 7.351 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.669 6.015 4.972 1.00 0.00 H new ATOM 1159 N LEU A 80 2.945 6.459 2.553 1.00 0.00 N ATOM 1160 CA LEU A 80 2.563 6.360 1.148 1.00 0.00 C ATOM 1161 C LEU A 80 3.612 5.592 0.351 1.00 0.00 C ATOM 1162 O LEU A 80 4.812 5.813 0.510 1.00 0.00 O ATOM 1163 CB LEU A 80 2.374 7.756 0.551 1.00 0.00 C ATOM 1164 CG LEU A 80 1.132 8.520 1.011 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.181 9.961 0.526 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.132 7.832 0.515 1.00 0.00 C ATOM 0 H LEU A 80 3.902 6.775 2.708 1.00 0.00 H new ATOM 0 HA LEU A 80 1.620 5.816 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.253 8.354 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.338 7.663 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 80 1.116 8.525 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.289 10.489 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.067 10.451 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.222 9.977 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.006 8.390 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.123 7.795 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.174 6.818 0.912 1.00 0.00 H new ATOM 1178 N PHE A 81 3.150 4.689 -0.508 1.00 0.00 N ATOM 1179 CA PHE A 81 4.048 3.888 -1.332 1.00 0.00 C ATOM 1180 C PHE A 81 3.353 3.435 -2.612 1.00 0.00 C ATOM 1181 O PHE A 81 2.129 3.328 -2.679 1.00 0.00 O ATOM 1182 CB PHE A 81 4.543 2.671 -0.548 1.00 0.00 C ATOM 1183 CG PHE A 81 3.440 1.891 0.108 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.474 1.256 -0.656 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.369 1.793 1.488 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.457 0.537 -0.056 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.355 1.076 2.094 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.397 0.448 1.321 1.00 0.00 C ATOM 0 H PHE A 81 2.159 4.494 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 81 4.902 4.508 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.091 2.013 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.247 3.002 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.516 1.324 -1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.115 2.282 2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.711 0.046 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.311 1.006 3.171 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.603 -0.111 1.793 1.00 0.00 H new ATOM 1198 N PRO A 82 4.153 3.162 -3.654 1.00 0.00 N ATOM 1199 CA PRO A 82 3.637 2.716 -4.952 1.00 0.00 C ATOM 1200 C PRO A 82 3.067 1.303 -4.894 1.00 0.00 C ATOM 1201 O PRO A 82 3.560 0.454 -4.152 1.00 0.00 O ATOM 1202 CB PRO A 82 4.871 2.758 -5.857 1.00 0.00 C ATOM 1203 CG PRO A 82 6.027 2.599 -4.930 1.00 0.00 C ATOM 1204 CD PRO A 82 5.622 3.268 -3.645 1.00 0.00 C ATOM 0 HA PRO A 82 2.814 3.340 -5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.845 1.959 -6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.929 3.699 -6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.254 1.546 -4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.925 3.059 -5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.056 2.769 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.950 4.307 -3.612 1.00 0.00 H new ATOM 1212 N SER A 83 2.024 1.058 -5.682 1.00 0.00 N ATOM 1213 CA SER A 83 1.384 -0.251 -5.718 1.00 0.00 C ATOM 1214 C SER A 83 2.222 -1.244 -6.519 1.00 0.00 C ATOM 1215 O SER A 83 1.795 -2.369 -6.774 1.00 0.00 O ATOM 1216 CB SER A 83 -0.016 -0.142 -6.325 1.00 0.00 C ATOM 1217 OG SER A 83 0.049 0.201 -7.698 1.00 0.00 O ATOM 0 H SER A 83 1.605 1.749 -6.304 1.00 0.00 H new ATOM 0 HA SER A 83 1.301 -0.615 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.541 -1.090 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.592 0.610 -5.786 1.00 0.00 H new ATOM 0 HG SER A 83 -0.811 0.575 -7.983 1.00 0.00 H new ATOM 1223 N ASN A 84 3.418 -0.817 -6.912 1.00 0.00 N ATOM 1224 CA ASN A 84 4.316 -1.667 -7.685 1.00 0.00 C ATOM 1225 C ASN A 84 5.416 -2.244 -6.798 1.00 0.00 C ATOM 1226 O ASN A 84 6.129 -3.165 -7.196 1.00 0.00 O ATOM 1227 CB ASN A 84 4.938 -0.874 -8.836 1.00 0.00 C ATOM 1228 CG ASN A 84 4.016 -0.779 -10.037 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.390 -1.763 -10.432 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.929 0.409 -10.624 1.00 0.00 N ATOM 0 H ASN A 84 3.787 0.112 -6.708 1.00 0.00 H new ATOM 0 HA ASN A 84 3.733 -2.492 -8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.185 0.130 -8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.873 -1.347 -9.136 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.325 0.533 -11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.466 1.197 -10.262 1.00 0.00 H new ATOM 1237 N TYR A 85 5.546 -1.697 -5.595 1.00 0.00 N ATOM 1238 CA TYR A 85 6.559 -2.155 -4.652 1.00 0.00 C ATOM 1239 C TYR A 85 5.956 -3.109 -3.625 1.00 0.00 C ATOM 1240 O TYR A 85 6.462 -3.240 -2.510 1.00 0.00 O ATOM 1241 CB TYR A 85 7.202 -0.963 -3.942 1.00 0.00 C ATOM 1242 CG TYR A 85 8.390 -0.388 -4.679 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.234 0.231 -5.913 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.669 -0.462 -4.141 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.316 0.758 -6.590 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.757 0.063 -4.810 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.576 0.671 -6.035 1.00 0.00 C ATOM 1248 OH TYR A 85 11.657 1.195 -6.706 1.00 0.00 O ATOM 0 H TYR A 85 4.962 -0.935 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 85 7.325 -2.691 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.453 -0.182 -3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.518 -1.272 -2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.249 0.301 -6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.815 -0.938 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.177 1.236 -7.549 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.744 -0.002 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 85 12.470 1.052 -6.178 1.00 0.00 H new ATOM 1258 N VAL A 86 4.870 -3.772 -4.009 1.00 0.00 N ATOM 1259 CA VAL A 86 4.197 -4.716 -3.124 1.00 0.00 C ATOM 1260 C VAL A 86 3.497 -5.812 -3.919 1.00 0.00 C ATOM 1261 O VAL A 86 3.017 -5.580 -5.029 1.00 0.00 O ATOM 1262 CB VAL A 86 3.164 -4.006 -2.229 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.835 -2.933 -1.386 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.047 -3.411 -3.074 1.00 0.00 C ATOM 0 H VAL A 86 4.437 -3.673 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 86 4.966 -5.164 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 86 2.726 -4.742 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.089 -2.443 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.596 -3.390 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.302 -2.196 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.326 -2.913 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.466 -2.688 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.548 -4.205 -3.629 1.00 0.00 H new ATOM 1274 N LYS A 87 3.442 -7.009 -3.344 1.00 0.00 N ATOM 1275 CA LYS A 87 2.800 -8.143 -3.997 1.00 0.00 C ATOM 1276 C LYS A 87 1.722 -8.747 -3.102 1.00 0.00 C ATOM 1277 O LYS A 87 1.966 -9.038 -1.932 1.00 0.00 O ATOM 1278 CB LYS A 87 3.838 -9.209 -4.353 1.00 0.00 C ATOM 1279 CG LYS A 87 3.474 -10.028 -5.579 1.00 0.00 C ATOM 1280 CD LYS A 87 4.259 -11.328 -5.635 1.00 0.00 C ATOM 1281 CE LYS A 87 3.734 -12.250 -6.724 1.00 0.00 C ATOM 1282 NZ LYS A 87 2.436 -12.873 -6.345 1.00 0.00 N ATOM 0 H LYS A 87 3.835 -7.218 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 87 2.329 -7.784 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.800 -8.725 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.964 -9.880 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.406 -10.247 -5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.670 -9.445 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.312 -11.111 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.199 -11.832 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.610 -11.686 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.467 -13.031 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.187 -13.606 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.520 -13.303 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.693 -12.145 -6.329 1.00 0.00 H new