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 83 SER OG : rot -172:sc= 0.365 USER MOD Set 1.2: A 84 ASN : amide:sc= -0.149 K(o=0.22,f=-2.7!) USER MOD Set 2.1: A 40 MET CE :methyl -126:sc= -2.15 (180deg=-8.54!) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= -0.686 USER MOD Set 3.1: A 36 GLN :FLIP amide:sc= -0.199 F(o=-2.9,f=-1.3) USER MOD Set 3.2: A 60 ASN : amide:sc= -1.14 K(o=-1.3,f=-4!) USER MOD Single : A 35 CYS SG : rot -8:sc= 0.233 USER MOD Single : A 43 TYR OH : rot -116:sc= -0.0575 USER MOD Single : A 52 SER OG : rot 36:sc= 0.594 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000497) USER MOD Single : A 57 GLN : amide:sc= -0.631 K(o=-0.63,f=-8.2!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.0481 (180deg=-0.0481) USER MOD Single : A 71 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.5) USER MOD Single : A 75 ASN : amide:sc=-0.00352 X(o=-0.0035,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 467 N VAL A 34 -7.958 -3.252 3.209 1.00 0.00 N ATOM 468 CA VAL A 34 -8.383 -3.889 1.969 1.00 0.00 C ATOM 469 C VAL A 34 -7.761 -5.272 1.819 1.00 0.00 C ATOM 470 O VAL A 34 -8.432 -6.228 1.429 1.00 0.00 O ATOM 471 CB VAL A 34 -8.010 -3.034 0.743 1.00 0.00 C ATOM 472 CG1 VAL A 34 -8.550 -3.664 -0.532 1.00 0.00 C ATOM 473 CG2 VAL A 34 -8.528 -1.613 0.906 1.00 0.00 C ATOM 0 HA VAL A 34 -9.467 -3.986 2.019 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.923 -2.993 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.277 -3.046 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.125 -4.660 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.636 -3.738 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.255 -1.024 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.613 -1.631 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.087 -1.165 1.797 1.00 0.00 H new ATOM 483 N CYS A 35 -6.474 -5.372 2.133 1.00 0.00 N ATOM 484 CA CYS A 35 -5.759 -6.640 2.033 1.00 0.00 C ATOM 485 C CYS A 35 -4.335 -6.505 2.563 1.00 0.00 C ATOM 486 O CYS A 35 -3.939 -5.441 3.037 1.00 0.00 O ATOM 487 CB CYS A 35 -5.732 -7.121 0.582 1.00 0.00 C ATOM 488 SG CYS A 35 -5.707 -8.920 0.401 1.00 0.00 S ATOM 0 H CYS A 35 -5.904 -4.591 2.459 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.286 -7.375 2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.606 -6.727 0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.854 -6.705 0.089 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.544 -9.471 1.567 1.00 0.00 H new ATOM 494 N GLN A 36 -3.573 -7.590 2.480 1.00 0.00 N ATOM 495 CA GLN A 36 -2.194 -7.592 2.954 1.00 0.00 C ATOM 496 C GLN A 36 -1.224 -7.853 1.806 1.00 0.00 C ATOM 497 O GLN A 36 -1.348 -8.845 1.089 1.00 0.00 O ATOM 498 CB GLN A 36 -2.009 -8.650 4.044 1.00 0.00 C ATOM 499 CG GLN A 36 -0.709 -8.503 4.820 1.00 0.00 C ATOM 500 CD GLN A 36 -0.618 -9.460 5.992 1.00 0.00 C ATOM 501 OE1 GLN A 36 -0.495 -8.913 7.195 1.00 0.00 O flip ATOM 502 NE2 GLN A 36 -0.657 -10.678 5.817 1.00 0.00 N flip ATOM 0 H GLN A 36 -3.886 -8.479 2.089 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.978 -6.608 3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.846 -8.593 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.040 -9.639 3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.132 -8.676 4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.621 -7.479 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.752 -11.055 4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.594 -11.310 6.615 1.00 0.00 H new ATOM 511 N VAL A 37 -0.259 -6.954 1.638 1.00 0.00 N ATOM 512 CA VAL A 37 0.733 -7.087 0.578 1.00 0.00 C ATOM 513 C VAL A 37 2.128 -7.299 1.154 1.00 0.00 C ATOM 514 O VAL A 37 2.348 -7.130 2.354 1.00 0.00 O ATOM 515 CB VAL A 37 0.749 -5.846 -0.335 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.594 -5.675 -1.028 1.00 0.00 C ATOM 517 CG2 VAL A 37 1.108 -4.603 0.465 1.00 0.00 C ATOM 0 H VAL A 37 -0.143 -6.126 2.222 1.00 0.00 H new ATOM 0 HA VAL A 37 0.451 -7.959 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 37 1.510 -5.990 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.563 -4.793 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.806 -6.556 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.377 -5.553 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.115 -3.735 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.371 -4.453 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.095 -4.729 0.909 1.00 0.00 H new ATOM 527 N ILE A 38 3.069 -7.670 0.291 1.00 0.00 N ATOM 528 CA ILE A 38 4.444 -7.903 0.714 1.00 0.00 C ATOM 529 C ILE A 38 5.406 -6.958 0.002 1.00 0.00 C ATOM 530 O ILE A 38 5.350 -6.802 -1.217 1.00 0.00 O ATOM 531 CB ILE A 38 4.876 -9.356 0.446 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.863 -9.824 1.517 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.494 -9.478 -0.940 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.778 -11.306 1.812 1.00 0.00 C ATOM 0 H ILE A 38 2.904 -7.815 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 38 4.481 -7.714 1.787 1.00 0.00 H new ATOM 0 HB ILE A 38 3.994 -9.995 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.876 -9.583 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.680 -9.268 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.794 -10.511 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.763 -9.181 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.368 -8.830 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.506 -11.566 2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.776 -11.550 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.991 -11.870 0.904 1.00 0.00 H new ATOM 546 N ALA A 39 6.289 -6.331 0.772 1.00 0.00 N ATOM 547 CA ALA A 39 7.267 -5.405 0.215 1.00 0.00 C ATOM 548 C ALA A 39 8.285 -6.137 -0.653 1.00 0.00 C ATOM 549 O ALA A 39 9.175 -6.817 -0.142 1.00 0.00 O ATOM 550 CB ALA A 39 7.970 -4.645 1.330 1.00 0.00 C ATOM 0 H ALA A 39 6.347 -6.448 1.784 1.00 0.00 H new ATOM 0 HA ALA A 39 6.736 -4.692 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.698 -3.957 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.235 -4.082 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.481 -5.350 1.985 1.00 0.00 H new ATOM 556 N MET A 40 8.147 -5.994 -1.967 1.00 0.00 N ATOM 557 CA MET A 40 9.056 -6.643 -2.905 1.00 0.00 C ATOM 558 C MET A 40 10.481 -6.129 -2.724 1.00 0.00 C ATOM 559 O MET A 40 11.444 -6.890 -2.828 1.00 0.00 O ATOM 560 CB MET A 40 8.595 -6.403 -4.344 1.00 0.00 C ATOM 561 CG MET A 40 7.212 -6.962 -4.639 1.00 0.00 C ATOM 562 SD MET A 40 7.007 -7.429 -6.368 1.00 0.00 S ATOM 563 CE MET A 40 7.404 -5.886 -7.186 1.00 0.00 C ATOM 0 H MET A 40 7.415 -5.435 -2.406 1.00 0.00 H new ATOM 0 HA MET A 40 9.045 -7.714 -2.701 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.595 -5.331 -4.543 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.314 -6.854 -5.028 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.034 -7.833 -4.008 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.460 -6.218 -4.376 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.589 -5.608 -7.854 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.544 -5.104 -6.440 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.321 -6.005 -7.762 1.00 0.00 H new ATOM 573 N TYR A 41 10.609 -4.835 -2.452 1.00 0.00 N ATOM 574 CA TYR A 41 11.917 -4.220 -2.259 1.00 0.00 C ATOM 575 C TYR A 41 11.917 -3.314 -1.032 1.00 0.00 C ATOM 576 O TYR A 41 10.891 -2.737 -0.672 1.00 0.00 O ATOM 577 CB TYR A 41 12.314 -3.418 -3.499 1.00 0.00 C ATOM 578 CG TYR A 41 11.833 -4.029 -4.796 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.581 -5.001 -5.449 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.629 -3.635 -5.368 1.00 0.00 C ATOM 581 CE1 TYR A 41 12.146 -5.561 -6.634 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.185 -4.191 -6.552 1.00 0.00 C ATOM 583 CZ TYR A 41 10.947 -5.153 -7.181 1.00 0.00 C ATOM 584 OH TYR A 41 10.509 -5.710 -8.361 1.00 0.00 O ATOM 0 H TYR A 41 9.823 -4.192 -2.360 1.00 0.00 H new ATOM 0 HA TYR A 41 12.645 -5.016 -2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.913 -2.408 -3.412 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.400 -3.328 -3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.519 -5.324 -5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.030 -2.881 -4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.741 -6.314 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.247 -3.874 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 41 10.841 -6.629 -8.432 1.00 0.00 H new ATOM 594 N ASP A 42 13.076 -3.195 -0.393 1.00 0.00 N ATOM 595 CA ASP A 42 13.213 -2.358 0.793 1.00 0.00 C ATOM 596 C ASP A 42 12.941 -0.894 0.460 1.00 0.00 C ATOM 597 O ASP A 42 13.782 -0.214 -0.128 1.00 0.00 O ATOM 598 CB ASP A 42 14.613 -2.507 1.390 1.00 0.00 C ATOM 599 CG ASP A 42 15.705 -2.160 0.397 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.467 -2.302 -0.820 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.799 -1.748 0.838 1.00 0.00 O ATOM 0 H ASP A 42 13.934 -3.668 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 42 12.477 -2.687 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.703 -1.862 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.751 -3.532 1.734 1.00 0.00 H new ATOM 606 N TYR A 43 11.761 -0.416 0.839 1.00 0.00 N ATOM 607 CA TYR A 43 11.377 0.966 0.577 1.00 0.00 C ATOM 608 C TYR A 43 11.871 1.888 1.688 1.00 0.00 C ATOM 609 O TYR A 43 11.713 1.593 2.872 1.00 0.00 O ATOM 610 CB TYR A 43 9.858 1.079 0.444 1.00 0.00 C ATOM 611 CG TYR A 43 9.403 2.340 -0.255 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.554 3.584 0.346 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.822 2.288 -1.517 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.139 4.739 -0.289 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.406 3.438 -2.159 1.00 0.00 C ATOM 616 CZ TYR A 43 8.567 4.661 -1.542 1.00 0.00 C ATOM 617 OH TYR A 43 8.152 5.808 -2.178 1.00 0.00 O ATOM 0 H TYR A 43 11.054 -0.965 1.328 1.00 0.00 H new ATOM 0 HA TYR A 43 11.841 1.274 -0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.485 0.215 -0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.411 1.043 1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.003 3.649 1.326 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.694 1.332 -2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.262 5.698 0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.957 3.380 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 43 7.180 5.780 -2.301 1.00 0.00 H new ATOM 627 N ALA A 44 12.470 3.008 1.296 1.00 0.00 N ATOM 628 CA ALA A 44 12.985 3.976 2.256 1.00 0.00 C ATOM 629 C ALA A 44 12.417 5.367 1.993 1.00 0.00 C ATOM 630 O ALA A 44 12.765 6.012 1.005 1.00 0.00 O ATOM 631 CB ALA A 44 14.506 4.007 2.211 1.00 0.00 C ATOM 0 H ALA A 44 12.610 3.267 0.320 1.00 0.00 H new ATOM 0 HA ALA A 44 12.668 3.666 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.877 4.734 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.897 3.020 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.835 4.289 1.211 1.00 0.00 H new ATOM 637 N ALA A 45 11.542 5.822 2.883 1.00 0.00 N ATOM 638 CA ALA A 45 10.927 7.136 2.747 1.00 0.00 C ATOM 639 C ALA A 45 11.985 8.232 2.675 1.00 0.00 C ATOM 640 O ALA A 45 12.633 8.548 3.671 1.00 0.00 O ATOM 641 CB ALA A 45 9.974 7.396 3.904 1.00 0.00 C ATOM 0 H ALA A 45 11.243 5.300 3.706 1.00 0.00 H new ATOM 0 HA ALA A 45 10.362 7.150 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.522 8.381 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.192 6.637 3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.524 7.357 4.844 1.00 0.00 H new ATOM 702 N GLU A 50 6.581 9.738 3.069 1.00 0.00 N ATOM 703 CA GLU A 50 6.548 8.374 2.555 1.00 0.00 C ATOM 704 C GLU A 50 6.725 7.362 3.683 1.00 0.00 C ATOM 705 O GLU A 50 7.090 7.721 4.803 1.00 0.00 O ATOM 706 CB GLU A 50 7.640 8.176 1.501 1.00 0.00 C ATOM 707 CG GLU A 50 7.187 8.495 0.087 1.00 0.00 C ATOM 708 CD GLU A 50 8.333 8.506 -0.905 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.297 7.737 -0.705 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.268 9.282 -1.881 1.00 0.00 O ATOM 0 HA GLU A 50 5.574 8.211 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.493 8.807 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.986 7.143 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.446 7.760 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.695 9.467 0.078 1.00 0.00 H new ATOM 717 N LEU A 51 6.464 6.095 3.380 1.00 0.00 N ATOM 718 CA LEU A 51 6.594 5.030 4.368 1.00 0.00 C ATOM 719 C LEU A 51 7.887 4.248 4.160 1.00 0.00 C ATOM 720 O LEU A 51 8.142 3.729 3.073 1.00 0.00 O ATOM 721 CB LEU A 51 5.394 4.084 4.287 1.00 0.00 C ATOM 722 CG LEU A 51 4.952 3.447 5.605 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.967 2.317 5.348 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.157 2.939 6.383 1.00 0.00 C ATOM 0 H LEU A 51 6.161 5.780 2.458 1.00 0.00 H new ATOM 0 HA LEU A 51 6.623 5.487 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.550 4.635 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.632 3.287 3.583 1.00 0.00 H new ATOM 0 HG LEU A 51 4.452 4.208 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.664 1.876 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.090 2.709 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.441 1.555 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.823 2.489 7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.685 2.193 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.827 3.771 6.600 1.00 0.00 H new ATOM 736 N SER A 52 8.699 4.167 5.209 1.00 0.00 N ATOM 737 CA SER A 52 9.967 3.450 5.141 1.00 0.00 C ATOM 738 C SER A 52 9.814 2.025 5.664 1.00 0.00 C ATOM 739 O SER A 52 9.526 1.812 6.842 1.00 0.00 O ATOM 740 CB SER A 52 11.039 4.189 5.945 1.00 0.00 C ATOM 741 OG SER A 52 10.670 4.294 7.309 1.00 0.00 O ATOM 0 H SER A 52 8.501 4.589 6.116 1.00 0.00 H new ATOM 0 HA SER A 52 10.275 3.404 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.989 3.661 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.189 5.185 5.528 1.00 0.00 H new ATOM 0 HG SER A 52 10.198 3.480 7.584 1.00 0.00 H new ATOM 747 N PHE A 53 10.010 1.053 4.780 1.00 0.00 N ATOM 748 CA PHE A 53 9.893 -0.353 5.152 1.00 0.00 C ATOM 749 C PHE A 53 10.952 -1.192 4.442 1.00 0.00 C ATOM 750 O PHE A 53 11.665 -0.701 3.568 1.00 0.00 O ATOM 751 CB PHE A 53 8.497 -0.878 4.811 1.00 0.00 C ATOM 752 CG PHE A 53 8.072 -0.581 3.401 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.357 -1.470 2.377 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.388 0.585 3.101 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.968 -1.199 1.079 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.996 0.862 1.804 1.00 0.00 C ATOM 757 CZ PHE A 53 7.285 -0.032 0.792 1.00 0.00 C ATOM 0 H PHE A 53 10.250 1.212 3.802 1.00 0.00 H new ATOM 0 HA PHE A 53 10.051 -0.434 6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.475 -1.956 4.969 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.775 -0.440 5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.889 -2.384 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.158 1.286 3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.198 -1.899 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.465 1.776 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.978 0.180 -0.222 1.00 0.00 H new ATOM 767 N SER A 54 11.047 -2.461 4.826 1.00 0.00 N ATOM 768 CA SER A 54 12.021 -3.369 4.231 1.00 0.00 C ATOM 769 C SER A 54 11.322 -4.517 3.509 1.00 0.00 C ATOM 770 O SER A 54 10.184 -4.865 3.825 1.00 0.00 O ATOM 771 CB SER A 54 12.957 -3.923 5.307 1.00 0.00 C ATOM 772 OG SER A 54 13.882 -2.937 5.734 1.00 0.00 O ATOM 0 H SER A 54 10.461 -2.884 5.546 1.00 0.00 H new ATOM 0 HA SER A 54 12.607 -2.808 3.503 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.372 -4.271 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.495 -4.786 4.916 1.00 0.00 H new ATOM 0 HG SER A 54 14.468 -3.315 6.423 1.00 0.00 H new ATOM 778 N LYS A 55 12.013 -5.103 2.536 1.00 0.00 N ATOM 779 CA LYS A 55 11.462 -6.213 1.768 1.00 0.00 C ATOM 780 C LYS A 55 10.815 -7.243 2.688 1.00 0.00 C ATOM 781 O LYS A 55 11.445 -7.740 3.620 1.00 0.00 O ATOM 782 CB LYS A 55 12.560 -6.877 0.934 1.00 0.00 C ATOM 783 CG LYS A 55 12.101 -8.134 0.215 1.00 0.00 C ATOM 784 CD LYS A 55 13.146 -8.623 -0.774 1.00 0.00 C ATOM 785 CE LYS A 55 13.038 -10.123 -1.002 1.00 0.00 C ATOM 786 NZ LYS A 55 11.757 -10.493 -1.666 1.00 0.00 N ATOM 0 H LYS A 55 12.956 -4.827 2.261 1.00 0.00 H new ATOM 0 HA LYS A 55 10.697 -5.816 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.929 -6.162 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.398 -7.126 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.895 -8.917 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.167 -7.934 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.024 -8.100 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.142 -8.381 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.875 -10.458 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.115 -10.642 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.730 -11.521 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.959 -10.211 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.687 -10.005 -2.582 1.00 0.00 H new ATOM 800 N GLY A 56 9.552 -7.560 2.418 1.00 0.00 N ATOM 801 CA GLY A 56 8.841 -8.531 3.230 1.00 0.00 C ATOM 802 C GLY A 56 8.303 -7.930 4.513 1.00 0.00 C ATOM 803 O GLY A 56 8.266 -8.595 5.549 1.00 0.00 O ATOM 0 H GLY A 56 9.009 -7.162 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.015 -8.947 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.510 -9.357 3.472 1.00 0.00 H new ATOM 807 N GLN A 57 7.886 -6.670 4.446 1.00 0.00 N ATOM 808 CA GLN A 57 7.350 -5.980 5.613 1.00 0.00 C ATOM 809 C GLN A 57 5.845 -6.198 5.731 1.00 0.00 C ATOM 810 O GLN A 57 5.201 -6.672 4.794 1.00 0.00 O ATOM 811 CB GLN A 57 7.655 -4.483 5.531 1.00 0.00 C ATOM 812 CG GLN A 57 7.277 -3.716 6.788 1.00 0.00 C ATOM 813 CD GLN A 57 7.900 -4.301 8.039 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.547 -5.401 8.467 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.834 -3.568 8.634 1.00 0.00 N ATOM 0 H GLN A 57 7.909 -6.106 3.596 1.00 0.00 H new ATOM 0 HA GLN A 57 7.829 -6.394 6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.719 -4.347 5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.121 -4.058 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.590 -2.677 6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.192 -3.713 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.096 -2.662 8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.289 -3.911 9.480 1.00 0.00 H new ATOM 824 N LEU A 58 5.290 -5.851 6.887 1.00 0.00 N ATOM 825 CA LEU A 58 3.860 -6.009 7.128 1.00 0.00 C ATOM 826 C LEU A 58 3.090 -4.780 6.657 1.00 0.00 C ATOM 827 O LEU A 58 2.985 -3.787 7.378 1.00 0.00 O ATOM 828 CB LEU A 58 3.598 -6.251 8.615 1.00 0.00 C ATOM 829 CG LEU A 58 2.214 -5.848 9.126 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.128 -6.385 8.207 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.006 -6.346 10.549 1.00 0.00 C ATOM 0 H LEU A 58 5.809 -5.458 7.672 1.00 0.00 H new ATOM 0 HA LEU A 58 3.513 -6.872 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.745 -7.311 8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.348 -5.707 9.189 1.00 0.00 H new ATOM 0 HG LEU A 58 2.152 -4.760 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.150 -6.088 8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.266 -5.980 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.188 -7.473 8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.016 -6.050 10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.088 -7.433 10.570 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.764 -5.912 11.201 1.00 0.00 H new ATOM 843 N ILE A 59 2.550 -4.854 5.445 1.00 0.00 N ATOM 844 CA ILE A 59 1.786 -3.749 4.880 1.00 0.00 C ATOM 845 C ILE A 59 0.346 -4.164 4.598 1.00 0.00 C ATOM 846 O ILE A 59 0.097 -5.199 3.982 1.00 0.00 O ATOM 847 CB ILE A 59 2.424 -3.231 3.578 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.798 -2.622 3.864 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.514 -2.210 2.912 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.705 -2.583 2.655 1.00 0.00 C ATOM 0 H ILE A 59 2.628 -5.668 4.835 1.00 0.00 H new ATOM 0 HA ILE A 59 1.793 -2.949 5.621 1.00 0.00 H new ATOM 0 HB ILE A 59 2.555 -4.071 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.666 -1.608 4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.283 -3.195 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.979 -1.853 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.556 -2.674 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.354 -1.370 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.661 -2.139 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.868 -3.597 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.241 -1.985 1.871 1.00 0.00 H new ATOM 862 N ASN A 60 -0.600 -3.348 5.052 1.00 0.00 N ATOM 863 CA ASN A 60 -2.016 -3.629 4.847 1.00 0.00 C ATOM 864 C ASN A 60 -2.683 -2.511 4.051 1.00 0.00 C ATOM 865 O ASN A 60 -2.994 -1.450 4.592 1.00 0.00 O ATOM 866 CB ASN A 60 -2.722 -3.804 6.192 1.00 0.00 C ATOM 867 CG ASN A 60 -2.234 -5.026 6.947 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.552 -5.884 6.386 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.583 -5.110 8.225 1.00 0.00 N ATOM 0 H ASN A 60 -0.411 -2.487 5.564 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.099 -4.555 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.561 -2.915 6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.796 -3.887 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.285 -5.910 8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.149 -4.375 8.648 1.00 0.00 H new ATOM 876 N VAL A 61 -2.901 -2.757 2.763 1.00 0.00 N ATOM 877 CA VAL A 61 -3.533 -1.773 1.893 1.00 0.00 C ATOM 878 C VAL A 61 -4.916 -1.391 2.409 1.00 0.00 C ATOM 879 O VAL A 61 -5.837 -2.206 2.405 1.00 0.00 O ATOM 880 CB VAL A 61 -3.662 -2.299 0.451 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.345 -1.268 -0.434 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.295 -2.669 -0.105 1.00 0.00 C ATOM 0 H VAL A 61 -2.649 -3.630 2.299 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.892 -0.892 1.894 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.279 -3.197 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.427 -1.657 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.341 -1.057 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.757 -0.350 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.405 -3.039 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.652 -1.789 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.847 -3.445 0.516 1.00 0.00 H new ATOM 892 N MET A 62 -5.053 -0.145 2.851 1.00 0.00 N ATOM 893 CA MET A 62 -6.325 0.346 3.368 1.00 0.00 C ATOM 894 C MET A 62 -7.111 1.071 2.280 1.00 0.00 C ATOM 895 O MET A 62 -8.323 0.900 2.158 1.00 0.00 O ATOM 896 CB MET A 62 -6.090 1.283 4.554 1.00 0.00 C ATOM 897 CG MET A 62 -5.242 0.668 5.656 1.00 0.00 C ATOM 898 SD MET A 62 -6.233 -0.167 6.910 1.00 0.00 S ATOM 899 CE MET A 62 -5.774 0.757 8.374 1.00 0.00 C ATOM 0 H MET A 62 -4.299 0.542 2.861 1.00 0.00 H new ATOM 0 HA MET A 62 -6.908 -0.512 3.702 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.605 2.192 4.198 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.053 1.578 4.970 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.543 -0.044 5.217 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.646 1.449 6.129 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.306 0.358 9.238 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.700 0.669 8.538 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.036 1.806 8.239 1.00 0.00 H new ATOM 909 N ASN A 63 -6.412 1.882 1.492 1.00 0.00 N ATOM 910 CA ASN A 63 -7.046 2.634 0.415 1.00 0.00 C ATOM 911 C ASN A 63 -6.219 2.551 -0.865 1.00 0.00 C ATOM 912 O ASN A 63 -5.220 3.253 -1.019 1.00 0.00 O ATOM 913 CB ASN A 63 -7.228 4.096 0.824 1.00 0.00 C ATOM 914 CG ASN A 63 -8.155 4.848 -0.112 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.708 5.633 -0.948 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.454 4.609 0.025 1.00 0.00 N ATOM 0 H ASN A 63 -5.407 2.035 1.579 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.025 2.193 0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.626 4.140 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.256 4.589 0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.126 5.085 -0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.779 3.950 0.732 1.00 0.00 H new ATOM 923 N LYS A 64 -6.644 1.688 -1.782 1.00 0.00 N ATOM 924 CA LYS A 64 -5.946 1.514 -3.051 1.00 0.00 C ATOM 925 C LYS A 64 -6.787 2.036 -4.211 1.00 0.00 C ATOM 926 O LYS A 64 -6.889 1.392 -5.255 1.00 0.00 O ATOM 927 CB LYS A 64 -5.611 0.037 -3.273 1.00 0.00 C ATOM 928 CG LYS A 64 -6.809 -0.886 -3.133 1.00 0.00 C ATOM 929 CD LYS A 64 -6.419 -2.340 -3.333 1.00 0.00 C ATOM 930 CE LYS A 64 -6.558 -2.759 -4.789 1.00 0.00 C ATOM 931 NZ LYS A 64 -5.976 -1.749 -5.715 1.00 0.00 N ATOM 0 H LYS A 64 -7.469 1.098 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.020 2.088 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.184 -0.084 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.845 -0.265 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.253 -0.760 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.570 -0.609 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.390 -2.490 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.047 -2.976 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.062 -3.718 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.612 -2.904 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.091 -2.072 -6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.466 -0.840 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.964 -1.629 -5.506 1.00 0.00 H new ATOM 945 N ASP A 65 -7.387 3.206 -4.021 1.00 0.00 N ATOM 946 CA ASP A 65 -8.217 3.816 -5.054 1.00 0.00 C ATOM 947 C ASP A 65 -7.427 4.005 -6.345 1.00 0.00 C ATOM 948 O ASP A 65 -7.954 3.811 -7.441 1.00 0.00 O ATOM 949 CB ASP A 65 -8.760 5.162 -4.572 1.00 0.00 C ATOM 950 CG ASP A 65 -9.277 6.019 -5.711 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.042 5.495 -6.547 1.00 0.00 O ATOM 952 OD2 ASP A 65 -8.916 7.213 -5.767 1.00 0.00 O ATOM 0 H ASP A 65 -7.314 3.751 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.053 3.147 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.564 4.991 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.973 5.700 -4.044 1.00 0.00 H new ATOM 957 N ASP A 66 -6.162 4.386 -6.208 1.00 0.00 N ATOM 958 CA ASP A 66 -5.299 4.601 -7.364 1.00 0.00 C ATOM 959 C ASP A 66 -4.386 3.401 -7.592 1.00 0.00 C ATOM 960 O ASP A 66 -3.640 2.981 -6.707 1.00 0.00 O ATOM 961 CB ASP A 66 -4.461 5.866 -7.173 1.00 0.00 C ATOM 962 CG ASP A 66 -5.207 7.122 -7.579 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.452 7.129 -7.483 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.546 8.098 -7.992 1.00 0.00 O ATOM 0 H ASP A 66 -5.711 4.552 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.933 4.724 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.163 5.946 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.546 5.784 -7.760 1.00 0.00 H new ATOM 969 N PRO A 67 -4.445 2.833 -8.806 1.00 0.00 N ATOM 970 CA PRO A 67 -3.630 1.673 -9.178 1.00 0.00 C ATOM 971 C PRO A 67 -2.151 2.020 -9.304 1.00 0.00 C ATOM 972 O PRO A 67 -1.333 1.172 -9.663 1.00 0.00 O ATOM 973 CB PRO A 67 -4.201 1.260 -10.537 1.00 0.00 C ATOM 974 CG PRO A 67 -4.799 2.507 -11.091 1.00 0.00 C ATOM 975 CD PRO A 67 -5.311 3.282 -9.909 1.00 0.00 C ATOM 0 HA PRO A 67 -3.673 0.886 -8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.422 0.870 -11.192 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.950 0.475 -10.430 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.057 3.083 -11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.606 2.277 -11.786 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.233 4.357 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.360 3.065 -9.710 1.00 0.00 H new ATOM 983 N ASP A 68 -1.813 3.270 -9.007 1.00 0.00 N ATOM 984 CA ASP A 68 -0.431 3.728 -9.086 1.00 0.00 C ATOM 985 C ASP A 68 0.229 3.701 -7.711 1.00 0.00 C ATOM 986 O ASP A 68 1.341 3.196 -7.556 1.00 0.00 O ATOM 987 CB ASP A 68 -0.373 5.142 -9.666 1.00 0.00 C ATOM 988 CG ASP A 68 -1.445 5.384 -10.710 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.818 4.421 -11.411 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.910 6.537 -10.827 1.00 0.00 O ATOM 0 H ASP A 68 -2.477 3.984 -8.709 1.00 0.00 H new ATOM 0 HA ASP A 68 0.114 3.051 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.485 5.867 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.608 5.309 -10.111 1.00 0.00 H new ATOM 995 N TRP A 69 -0.461 4.249 -6.718 1.00 0.00 N ATOM 996 CA TRP A 69 0.060 4.289 -5.356 1.00 0.00 C ATOM 997 C TRP A 69 -0.986 3.802 -4.359 1.00 0.00 C ATOM 998 O TRP A 69 -2.169 4.122 -4.480 1.00 0.00 O ATOM 999 CB TRP A 69 0.501 5.709 -4.998 1.00 0.00 C ATOM 1000 CG TRP A 69 1.880 6.042 -5.481 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.279 6.200 -6.777 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.043 6.256 -4.673 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.619 6.498 -6.824 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.111 6.540 -5.546 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.285 6.238 -3.297 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.399 6.801 -5.086 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.564 6.497 -2.842 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.607 6.776 -3.734 1.00 0.00 C ATOM 0 H TRP A 69 -1.382 4.672 -6.830 1.00 0.00 H new ATOM 0 HA TRP A 69 0.922 3.624 -5.304 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.207 6.420 -5.424 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.463 5.831 -3.916 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.635 6.105 -7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.160 6.662 -7.673 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.487 6.025 -2.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.205 7.016 -5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.763 6.484 -1.780 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.595 6.975 -3.347 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.543 3.028 -3.375 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.442 2.498 -2.356 1.00 0.00 C ATOM 1021 C TRP A 70 -1.034 2.976 -0.967 1.00 0.00 C ATOM 1022 O TRP A 70 0.071 3.483 -0.776 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.451 0.969 -2.401 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.090 0.414 -3.638 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.857 1.094 -4.539 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -2.018 -0.937 -4.107 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.267 0.248 -5.541 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.765 -1.003 -5.300 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.395 -2.096 -3.638 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.904 -2.183 -6.025 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.534 -3.266 -4.359 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.283 -3.303 -5.542 1.00 0.00 C ATOM 0 H TRP A 70 0.433 2.753 -3.261 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.446 2.867 -2.565 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.426 0.605 -2.336 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.980 0.590 -1.526 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.105 2.143 -4.474 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.851 0.509 -6.336 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.815 -2.078 -2.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.482 -2.214 -6.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.057 -4.168 -4.004 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.372 -4.233 -6.083 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.932 2.811 -0.002 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.664 3.227 1.370 1.00 0.00 C ATOM 1045 C GLN A 71 -1.776 2.046 2.329 1.00 0.00 C ATOM 1046 O GLN A 71 -2.816 1.394 2.408 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.634 4.333 1.789 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.423 4.821 3.213 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.049 6.178 3.464 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.677 6.759 2.577 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.883 6.692 4.677 1.00 0.00 N ATOM 0 H GLN A 71 -2.851 2.392 -0.144 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.645 3.612 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.528 5.176 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.655 3.967 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.846 4.096 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.354 4.874 3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.356 6.176 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.283 7.602 4.904 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.696 1.776 3.056 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.694 0.674 4.000 1.00 0.00 C ATOM 1062 C GLY A 72 -0.186 1.083 5.368 1.00 0.00 C ATOM 1063 O GLY A 72 0.242 2.220 5.564 1.00 0.00 O ATOM 0 H GLY A 72 0.177 2.301 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.706 0.279 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.072 -0.132 3.611 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.234 0.154 6.318 1.00 0.00 N ATOM 1068 CA GLU A 73 0.223 0.426 7.676 1.00 0.00 C ATOM 1069 C GLU A 73 1.289 -0.579 8.102 1.00 0.00 C ATOM 1070 O GLU A 73 1.331 -1.705 7.604 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.954 0.382 8.652 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.603 -0.988 8.763 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.270 -1.211 10.106 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -3.432 -0.784 10.271 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -1.629 -1.813 10.994 1.00 0.00 O ATOM 0 H GLU A 73 -0.584 -0.793 6.172 1.00 0.00 H new ATOM 0 HA GLU A 73 0.662 1.424 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.609 0.692 9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.705 1.106 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.343 -1.100 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.848 -1.758 8.605 1.00 0.00 H new ATOM 1082 N ILE A 74 2.149 -0.164 9.026 1.00 0.00 N ATOM 1083 CA ILE A 74 3.215 -1.027 9.519 1.00 0.00 C ATOM 1084 C ILE A 74 3.542 -0.718 10.977 1.00 0.00 C ATOM 1085 O ILE A 74 4.180 0.289 11.280 1.00 0.00 O ATOM 1086 CB ILE A 74 4.495 -0.879 8.676 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.150 -0.855 7.185 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.465 -2.011 8.982 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.296 -0.403 6.307 1.00 0.00 C ATOM 0 H ILE A 74 2.128 0.764 9.448 1.00 0.00 H new ATOM 0 HA ILE A 74 2.853 -2.052 9.439 1.00 0.00 H new ATOM 0 HB ILE A 74 4.975 0.065 8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.838 -1.853 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.299 -0.192 7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.365 -1.892 8.378 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.731 -1.986 10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.995 -2.966 8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.980 -0.410 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.594 0.607 6.589 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.141 -1.079 6.435 1.00 0.00 H new ATOM 1101 N ASN A 75 3.100 -1.593 11.875 1.00 0.00 N ATOM 1102 CA ASN A 75 3.347 -1.415 13.301 1.00 0.00 C ATOM 1103 C ASN A 75 2.692 -0.134 13.810 1.00 0.00 C ATOM 1104 O ASN A 75 3.311 0.649 14.529 1.00 0.00 O ATOM 1105 CB ASN A 75 4.851 -1.376 13.579 1.00 0.00 C ATOM 1106 CG ASN A 75 5.439 -2.761 13.773 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.200 -3.411 14.791 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.211 -3.218 12.795 1.00 0.00 N ATOM 0 H ASN A 75 2.569 -2.432 11.640 1.00 0.00 H new ATOM 0 HA ASN A 75 2.909 -2.262 13.829 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.358 -0.882 12.750 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.038 -0.777 14.470 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.634 -4.143 12.869 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.381 -2.644 11.969 1.00 0.00 H new ATOM 1115 N GLY A 76 1.433 0.071 13.432 1.00 0.00 N ATOM 1116 CA GLY A 76 0.714 1.257 13.860 1.00 0.00 C ATOM 1117 C GLY A 76 1.143 2.499 13.104 1.00 0.00 C ATOM 1118 O GLY A 76 0.703 3.606 13.415 1.00 0.00 O ATOM 0 H GLY A 76 0.899 -0.563 12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.355 1.101 13.719 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.875 1.411 14.927 1.00 0.00 H new ATOM 1122 N VAL A 77 2.004 2.316 12.109 1.00 0.00 N ATOM 1123 CA VAL A 77 2.493 3.431 11.306 1.00 0.00 C ATOM 1124 C VAL A 77 1.804 3.473 9.947 1.00 0.00 C ATOM 1125 O VAL A 77 1.412 2.440 9.404 1.00 0.00 O ATOM 1126 CB VAL A 77 4.016 3.345 11.095 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.337 2.564 9.830 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.625 4.738 11.040 1.00 0.00 C ATOM 0 H VAL A 77 2.378 1.406 11.839 1.00 0.00 H new ATOM 0 HA VAL A 77 2.261 4.343 11.856 1.00 0.00 H new ATOM 0 HB VAL A 77 4.453 2.815 11.941 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.418 2.514 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.934 1.555 9.914 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.889 3.063 8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.702 4.659 10.890 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.184 5.296 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.426 5.259 11.976 1.00 0.00 H new ATOM 1138 N THR A 78 1.659 4.676 9.400 1.00 0.00 N ATOM 1139 CA THR A 78 1.017 4.854 8.104 1.00 0.00 C ATOM 1140 C THR A 78 1.825 5.792 7.214 1.00 0.00 C ATOM 1141 O THR A 78 2.445 6.739 7.695 1.00 0.00 O ATOM 1142 CB THR A 78 -0.411 5.413 8.256 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.375 6.665 8.950 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.297 4.434 9.012 1.00 0.00 C ATOM 0 H THR A 78 1.978 5.542 9.835 1.00 0.00 H new ATOM 0 HA THR A 78 0.967 3.870 7.639 1.00 0.00 H new ATOM 0 HB THR A 78 -0.828 5.562 7.260 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.286 7.015 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.300 4.850 9.107 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.345 3.491 8.467 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.881 4.259 10.004 1.00 0.00 H new ATOM 1152 N GLY A 79 1.812 5.522 5.912 1.00 0.00 N ATOM 1153 CA GLY A 79 2.548 6.352 4.976 1.00 0.00 C ATOM 1154 C GLY A 79 2.047 6.203 3.552 1.00 0.00 C ATOM 1155 O GLY A 79 0.888 5.852 3.327 1.00 0.00 O ATOM 0 H GLY A 79 1.305 4.744 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.467 7.396 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.605 6.089 5.016 1.00 0.00 H new ATOM 1159 N LEU A 80 2.922 6.470 2.589 1.00 0.00 N ATOM 1160 CA LEU A 80 2.562 6.365 1.179 1.00 0.00 C ATOM 1161 C LEU A 80 3.606 5.563 0.409 1.00 0.00 C ATOM 1162 O LEU A 80 4.807 5.701 0.642 1.00 0.00 O ATOM 1163 CB LEU A 80 2.418 7.759 0.564 1.00 0.00 C ATOM 1164 CG LEU A 80 1.178 8.550 0.979 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.221 9.955 0.397 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.088 7.828 0.540 1.00 0.00 C ATOM 0 H LEU A 80 3.885 6.761 2.758 1.00 0.00 H new ATOM 0 HA LEU A 80 1.607 5.844 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.301 8.342 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.413 7.657 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 80 1.169 8.629 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.330 10.503 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.108 10.473 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.255 9.897 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.961 8.406 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.086 7.717 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.125 6.843 1.005 1.00 0.00 H new ATOM 1178 N PHE A 81 3.141 4.725 -0.512 1.00 0.00 N ATOM 1179 CA PHE A 81 4.034 3.901 -1.318 1.00 0.00 C ATOM 1180 C PHE A 81 3.343 3.442 -2.598 1.00 0.00 C ATOM 1181 O PHE A 81 2.117 3.350 -2.674 1.00 0.00 O ATOM 1182 CB PHE A 81 4.505 2.687 -0.515 1.00 0.00 C ATOM 1183 CG PHE A 81 3.380 1.892 0.086 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.470 1.234 -0.725 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.233 1.805 1.461 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.434 0.502 -0.175 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.200 1.074 2.016 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.298 0.423 1.197 1.00 0.00 C ATOM 0 H PHE A 81 2.150 4.599 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 81 4.899 4.506 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.092 2.037 -1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.168 3.024 0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.571 1.293 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.934 2.314 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.732 -0.008 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.098 1.012 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.488 -0.146 1.629 1.00 0.00 H new ATOM 1198 N PRO A 82 4.147 3.147 -3.631 1.00 0.00 N ATOM 1199 CA PRO A 82 3.636 2.692 -4.927 1.00 0.00 C ATOM 1200 C PRO A 82 3.046 1.288 -4.858 1.00 0.00 C ATOM 1201 O PRO A 82 3.510 0.447 -4.088 1.00 0.00 O ATOM 1202 CB PRO A 82 4.877 2.708 -5.823 1.00 0.00 C ATOM 1203 CG PRO A 82 6.023 2.545 -4.885 1.00 0.00 C ATOM 1204 CD PRO A 82 5.617 3.234 -3.611 1.00 0.00 C ATOM 0 HA PRO A 82 2.824 3.323 -5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.847 1.901 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.951 3.642 -6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.235 1.491 -4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.930 2.988 -5.296 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.037 2.740 -2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.958 4.269 -3.587 1.00 0.00 H new ATOM 1212 N SER A 83 2.022 1.040 -5.668 1.00 0.00 N ATOM 1213 CA SER A 83 1.367 -0.262 -5.696 1.00 0.00 C ATOM 1214 C SER A 83 2.188 -1.266 -6.500 1.00 0.00 C ATOM 1215 O SER A 83 1.715 -2.355 -6.821 1.00 0.00 O ATOM 1216 CB SER A 83 -0.036 -0.139 -6.293 1.00 0.00 C ATOM 1217 OG SER A 83 0.022 0.228 -7.661 1.00 0.00 O ATOM 0 H SER A 83 1.628 1.724 -6.314 1.00 0.00 H new ATOM 0 HA SER A 83 1.287 -0.622 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.563 -1.088 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.607 0.605 -5.738 1.00 0.00 H new ATOM 0 HG SER A 83 -0.882 0.418 -7.987 1.00 0.00 H new ATOM 1223 N ASN A 84 3.421 -0.890 -6.821 1.00 0.00 N ATOM 1224 CA ASN A 84 4.309 -1.756 -7.588 1.00 0.00 C ATOM 1225 C ASN A 84 5.395 -2.349 -6.696 1.00 0.00 C ATOM 1226 O ASN A 84 5.979 -3.385 -7.015 1.00 0.00 O ATOM 1227 CB ASN A 84 4.948 -0.975 -8.739 1.00 0.00 C ATOM 1228 CG ASN A 84 3.918 -0.277 -9.606 1.00 0.00 C ATOM 1229 OD1 ASN A 84 2.716 -0.504 -9.466 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.386 0.577 -10.508 1.00 0.00 N ATOM 0 H ASN A 84 3.828 0.009 -6.562 1.00 0.00 H new ATOM 0 HA ASN A 84 3.715 -2.573 -7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.639 -0.236 -8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.536 -1.656 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.741 1.076 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.391 0.734 -10.589 1.00 0.00 H new ATOM 1237 N TYR A 85 5.661 -1.685 -5.577 1.00 0.00 N ATOM 1238 CA TYR A 85 6.678 -2.144 -4.639 1.00 0.00 C ATOM 1239 C TYR A 85 6.102 -3.175 -3.673 1.00 0.00 C ATOM 1240 O TYR A 85 6.781 -3.625 -2.749 1.00 0.00 O ATOM 1241 CB TYR A 85 7.253 -0.962 -3.857 1.00 0.00 C ATOM 1242 CG TYR A 85 8.455 -0.326 -4.518 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.356 0.251 -5.778 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.690 -0.302 -3.881 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.453 0.832 -6.385 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.792 0.278 -4.481 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.668 0.843 -5.733 1.00 0.00 C ATOM 1248 OH TYR A 85 11.762 1.422 -6.334 1.00 0.00 O ATOM 0 H TYR A 85 5.186 -0.827 -5.297 1.00 0.00 H new ATOM 0 HA TYR A 85 7.477 -2.615 -5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.476 -0.208 -3.732 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.534 -1.299 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.406 0.245 -6.292 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.790 -0.744 -2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.359 1.275 -7.365 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.745 0.289 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 85 12.539 1.346 -5.742 1.00 0.00 H new ATOM 1258 N VAL A 86 4.845 -3.546 -3.893 1.00 0.00 N ATOM 1259 CA VAL A 86 4.176 -4.525 -3.045 1.00 0.00 C ATOM 1260 C VAL A 86 3.324 -5.479 -3.873 1.00 0.00 C ATOM 1261 O VAL A 86 2.959 -5.177 -5.010 1.00 0.00 O ATOM 1262 CB VAL A 86 3.285 -3.839 -1.992 1.00 0.00 C ATOM 1263 CG1 VAL A 86 4.089 -2.832 -1.185 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.092 -3.171 -2.659 1.00 0.00 C ATOM 0 H VAL A 86 4.269 -3.183 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 86 4.957 -5.090 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 86 2.911 -4.600 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.442 -2.358 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.907 -3.343 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.495 -2.072 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.473 -2.691 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.444 -2.421 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.503 -3.921 -3.187 1.00 0.00 H new ATOM 1274 N LYS A 87 3.007 -6.634 -3.296 1.00 0.00 N ATOM 1275 CA LYS A 87 2.196 -7.634 -3.980 1.00 0.00 C ATOM 1276 C LYS A 87 1.122 -8.191 -3.050 1.00 0.00 C ATOM 1277 O LYS A 87 1.406 -8.562 -1.912 1.00 0.00 O ATOM 1278 CB LYS A 87 3.079 -8.772 -4.495 1.00 0.00 C ATOM 1279 CG LYS A 87 3.174 -9.949 -3.540 1.00 0.00 C ATOM 1280 CD LYS A 87 4.380 -10.820 -3.847 1.00 0.00 C ATOM 1281 CE LYS A 87 4.278 -12.175 -3.163 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.058 -13.220 -3.881 1.00 0.00 N ATOM 0 H LYS A 87 3.300 -6.900 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 87 1.706 -7.152 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.687 -9.121 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.081 -8.386 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.240 -9.583 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.265 -10.547 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.464 -10.961 -4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.288 -10.314 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.640 -12.092 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.232 -12.476 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.962 -14.128 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.697 -13.317 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.061 -12.946 -3.911 1.00 0.00 H new