USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=13 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 36 GLN : amide:sc= -1.02 K(o=-2.8,f=-3.8!) USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -1.79 F(o=-3.8,f=-2.8) USER MOD Set 2.1: A 40 MET CE :methyl -118:sc= -1.59 (180deg=-5.4!) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= -0.355 USER MOD Single : A 35 CYS SG : rot 31:sc= 0.549 USER MOD Single : A 43 TYR OH : rot -91:sc= 0.187 USER MOD Single : A 52 SER OG : rot 180:sc= -0.647 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.09) USER MOD Single : A 57 GLN : amide:sc= -0.669 K(o=-0.67,f=-5.5!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.446 K(o=-0.45,f=-9!) USER MOD Single : A 64 LYS NZ :NH3+ -136:sc= -0.0108 (180deg=-0.461) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 75 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.41) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 178:sc= 1.01 USER MOD Single : A 84 ASN :FLIP amide:sc= -3.5! C(o=-4.7!,f=-3.5!) 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 -8.386 -3.142 3.546 1.00 0.00 N ATOM 468 CA VAL A 34 -9.066 -3.759 2.413 1.00 0.00 C ATOM 469 C VAL A 34 -8.328 -5.007 1.942 1.00 0.00 C ATOM 470 O VAL A 34 -8.947 -5.993 1.542 1.00 0.00 O ATOM 471 CB VAL A 34 -9.197 -2.777 1.233 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.926 -2.776 0.397 1.00 0.00 C ATOM 473 CG2 VAL A 34 -10.406 -3.127 0.380 1.00 0.00 C ATOM 0 HA VAL A 34 -10.062 -4.037 2.756 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.342 -1.773 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.036 -2.077 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.083 -2.473 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.747 -3.777 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.483 -2.423 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.294 -4.138 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.309 -3.071 0.988 1.00 0.00 H new ATOM 483 N CYS A 35 -7.002 -4.957 1.993 1.00 0.00 N ATOM 484 CA CYS A 35 -6.177 -6.084 1.572 1.00 0.00 C ATOM 485 C CYS A 35 -4.786 -6.002 2.191 1.00 0.00 C ATOM 486 O CYS A 35 -4.325 -4.923 2.562 1.00 0.00 O ATOM 487 CB CYS A 35 -6.069 -6.121 0.047 1.00 0.00 C ATOM 488 SG CYS A 35 -7.403 -7.030 -0.767 1.00 0.00 S ATOM 0 H CYS A 35 -6.475 -4.148 2.322 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.654 -7.001 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.058 -5.098 -0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.116 -6.573 -0.228 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.492 -6.923 -0.065 1.00 0.00 H new ATOM 494 N GLN A 36 -4.124 -7.149 2.301 1.00 0.00 N ATOM 495 CA GLN A 36 -2.787 -7.207 2.878 1.00 0.00 C ATOM 496 C GLN A 36 -1.756 -7.603 1.826 1.00 0.00 C ATOM 497 O GLN A 36 -1.888 -8.639 1.173 1.00 0.00 O ATOM 498 CB GLN A 36 -2.752 -8.199 4.042 1.00 0.00 C ATOM 499 CG GLN A 36 -1.535 -8.043 4.939 1.00 0.00 C ATOM 500 CD GLN A 36 -1.746 -8.637 6.318 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.841 -9.089 6.651 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.694 -8.638 7.129 1.00 0.00 N ATOM 0 H GLN A 36 -4.492 -8.051 1.998 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.537 -6.213 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.653 -8.074 4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.772 -9.214 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.677 -8.523 4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.294 -6.985 5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.195 -8.253 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.776 -9.024 8.070 1.00 0.00 H new ATOM 511 N VAL A 37 -0.731 -6.773 1.667 1.00 0.00 N ATOM 512 CA VAL A 37 0.323 -7.037 0.694 1.00 0.00 C ATOM 513 C VAL A 37 1.684 -7.142 1.373 1.00 0.00 C ATOM 514 O VAL A 37 1.805 -6.925 2.579 1.00 0.00 O ATOM 515 CB VAL A 37 0.382 -5.937 -0.383 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.946 -5.838 -1.118 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.756 -4.601 0.241 1.00 0.00 C ATOM 0 H VAL A 37 -0.607 -5.912 2.199 1.00 0.00 H new ATOM 0 HA VAL A 37 0.083 -7.988 0.218 1.00 0.00 H new ATOM 0 HB VAL A 37 1.152 -6.202 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.886 -5.056 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.168 -6.791 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.737 -5.596 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.793 -3.835 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.010 -4.326 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.733 -4.683 0.717 1.00 0.00 H new ATOM 527 N ILE A 38 2.705 -7.475 0.591 1.00 0.00 N ATOM 528 CA ILE A 38 4.058 -7.606 1.116 1.00 0.00 C ATOM 529 C ILE A 38 5.057 -6.832 0.263 1.00 0.00 C ATOM 530 O ILE A 38 4.958 -6.813 -0.963 1.00 0.00 O ATOM 531 CB ILE A 38 4.494 -9.082 1.185 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.530 -9.279 2.294 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.054 -9.531 -0.156 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.489 -10.655 2.921 1.00 0.00 C ATOM 0 H ILE A 38 2.621 -7.659 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 38 4.047 -7.191 2.124 1.00 0.00 H new ATOM 0 HB ILE A 38 3.622 -9.693 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.525 -9.104 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.367 -8.530 3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.358 -10.576 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.289 -9.422 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.917 -8.917 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.250 -10.723 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.506 -10.826 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.682 -11.409 2.157 1.00 0.00 H new ATOM 546 N ALA A 39 6.020 -6.194 0.921 1.00 0.00 N ATOM 547 CA ALA A 39 7.039 -5.421 0.223 1.00 0.00 C ATOM 548 C ALA A 39 7.963 -6.330 -0.580 1.00 0.00 C ATOM 549 O ALA A 39 8.519 -7.291 -0.050 1.00 0.00 O ATOM 550 CB ALA A 39 7.843 -4.592 1.214 1.00 0.00 C ATOM 0 H ALA A 39 6.115 -6.198 1.937 1.00 0.00 H new ATOM 0 HA ALA A 39 6.537 -4.749 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.601 -4.019 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.177 -3.909 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.328 -5.253 1.932 1.00 0.00 H new ATOM 556 N MET A 40 8.121 -6.020 -1.863 1.00 0.00 N ATOM 557 CA MET A 40 8.979 -6.809 -2.740 1.00 0.00 C ATOM 558 C MET A 40 10.434 -6.369 -2.618 1.00 0.00 C ATOM 559 O MET A 40 11.347 -7.194 -2.652 1.00 0.00 O ATOM 560 CB MET A 40 8.515 -6.682 -4.192 1.00 0.00 C ATOM 561 CG MET A 40 7.098 -7.181 -4.423 1.00 0.00 C ATOM 562 SD MET A 40 6.743 -7.483 -6.165 1.00 0.00 S ATOM 563 CE MET A 40 6.949 -5.838 -6.842 1.00 0.00 C ATOM 0 H MET A 40 7.666 -5.228 -2.318 1.00 0.00 H new ATOM 0 HA MET A 40 8.907 -7.853 -2.433 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.577 -5.637 -4.495 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.197 -7.240 -4.833 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.945 -8.102 -3.860 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.391 -6.448 -4.034 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.005 -5.500 -7.270 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.254 -5.154 -6.050 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.713 -5.857 -7.619 1.00 0.00 H new ATOM 573 N TYR A 41 10.642 -5.065 -2.476 1.00 0.00 N ATOM 574 CA TYR A 41 11.987 -4.515 -2.352 1.00 0.00 C ATOM 575 C TYR A 41 12.075 -3.551 -1.173 1.00 0.00 C ATOM 576 O TYR A 41 11.075 -2.961 -0.763 1.00 0.00 O ATOM 577 CB TYR A 41 12.388 -3.798 -3.643 1.00 0.00 C ATOM 578 CG TYR A 41 11.747 -4.378 -4.883 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.336 -5.438 -5.562 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.552 -3.868 -5.375 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.754 -5.971 -6.695 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.962 -4.395 -6.507 1.00 0.00 C ATOM 583 CZ TYR A 41 10.567 -5.447 -7.164 1.00 0.00 C ATOM 584 OH TYR A 41 9.983 -5.976 -8.292 1.00 0.00 O ATOM 0 H TYR A 41 9.897 -4.369 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 41 12.675 -5.341 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.117 -2.745 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.472 -3.841 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.265 -5.852 -5.197 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.076 -3.045 -4.863 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.226 -6.794 -7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.033 -3.986 -6.876 1.00 0.00 H new ATOM 0 HH TYR A 41 10.208 -6.927 -8.362 1.00 0.00 H new ATOM 594 N ASP A 42 13.279 -3.395 -0.633 1.00 0.00 N ATOM 595 CA ASP A 42 13.500 -2.502 0.498 1.00 0.00 C ATOM 596 C ASP A 42 13.161 -1.061 0.127 1.00 0.00 C ATOM 597 O ASP A 42 13.958 -0.369 -0.506 1.00 0.00 O ATOM 598 CB ASP A 42 14.951 -2.592 0.971 1.00 0.00 C ATOM 599 CG ASP A 42 15.925 -2.766 -0.178 1.00 0.00 C ATOM 600 OD1 ASP A 42 16.100 -3.914 -0.638 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.512 -1.755 -0.618 1.00 0.00 O ATOM 0 H ASP A 42 14.117 -3.876 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 42 12.842 -2.814 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.206 -1.689 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.054 -3.430 1.661 1.00 0.00 H new ATOM 606 N TYR A 43 11.974 -0.617 0.525 1.00 0.00 N ATOM 607 CA TYR A 43 11.529 0.740 0.231 1.00 0.00 C ATOM 608 C TYR A 43 12.018 1.717 1.296 1.00 0.00 C ATOM 609 O TYR A 43 12.062 1.389 2.482 1.00 0.00 O ATOM 610 CB TYR A 43 10.002 0.790 0.140 1.00 0.00 C ATOM 611 CG TYR A 43 9.478 2.020 -0.564 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.534 3.269 0.043 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.924 1.934 -1.835 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.055 4.396 -0.597 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.444 3.056 -2.483 1.00 0.00 C ATOM 616 CZ TYR A 43 8.512 4.285 -1.859 1.00 0.00 C ATOM 617 OH TYR A 43 8.033 5.405 -2.500 1.00 0.00 O ATOM 0 H TYR A 43 11.303 -1.176 1.052 1.00 0.00 H new ATOM 0 HA TYR A 43 11.954 1.034 -0.729 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.648 -0.097 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.585 0.752 1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.959 3.360 1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.867 0.973 -2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.106 5.359 -0.111 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.018 2.972 -3.472 1.00 0.00 H new ATOM 0 HH TYR A 43 7.083 5.521 -2.290 1.00 0.00 H new ATOM 627 N ALA A 44 12.383 2.919 0.864 1.00 0.00 N ATOM 628 CA ALA A 44 12.867 3.945 1.779 1.00 0.00 C ATOM 629 C ALA A 44 12.105 5.253 1.590 1.00 0.00 C ATOM 630 O ALA A 44 12.165 5.868 0.526 1.00 0.00 O ATOM 631 CB ALA A 44 14.359 4.168 1.582 1.00 0.00 C ATOM 0 H ALA A 44 12.353 3.206 -0.114 1.00 0.00 H new ATOM 0 HA ALA A 44 12.695 3.598 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.706 4.937 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.894 3.238 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.547 4.489 0.557 1.00 0.00 H new ATOM 637 N ALA A 45 11.389 5.671 2.628 1.00 0.00 N ATOM 638 CA ALA A 45 10.616 6.906 2.576 1.00 0.00 C ATOM 639 C ALA A 45 11.530 8.126 2.602 1.00 0.00 C ATOM 640 O ALA A 45 12.188 8.400 3.605 1.00 0.00 O ATOM 641 CB ALA A 45 9.628 6.959 3.732 1.00 0.00 C ATOM 0 H ALA A 45 11.328 5.172 3.516 1.00 0.00 H new ATOM 0 HA ALA A 45 10.061 6.920 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.058 7.886 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.947 6.110 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.171 6.918 4.676 1.00 0.00 H new ATOM 702 N GLU A 50 6.251 9.711 3.174 1.00 0.00 N ATOM 703 CA GLU A 50 6.261 8.383 2.571 1.00 0.00 C ATOM 704 C GLU A 50 6.448 7.304 3.634 1.00 0.00 C ATOM 705 O GLU A 50 6.822 7.595 4.771 1.00 0.00 O ATOM 706 CB GLU A 50 7.372 8.282 1.524 1.00 0.00 C ATOM 707 CG GLU A 50 7.006 8.900 0.186 1.00 0.00 C ATOM 708 CD GLU A 50 8.038 8.618 -0.889 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.214 8.391 -0.536 1.00 0.00 O ATOM 710 OE2 GLU A 50 7.669 8.625 -2.082 1.00 0.00 O ATOM 0 HA GLU A 50 5.298 8.226 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.267 8.772 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.623 7.232 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.038 8.515 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.897 9.978 0.306 1.00 0.00 H new ATOM 717 N LEU A 51 6.186 6.058 3.256 1.00 0.00 N ATOM 718 CA LEU A 51 6.325 4.934 4.176 1.00 0.00 C ATOM 719 C LEU A 51 7.621 4.173 3.913 1.00 0.00 C ATOM 720 O LEU A 51 7.866 3.710 2.799 1.00 0.00 O ATOM 721 CB LEU A 51 5.129 3.990 4.043 1.00 0.00 C ATOM 722 CG LEU A 51 4.681 3.291 5.327 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.617 2.247 5.022 1.00 0.00 C ATOM 724 CD2 LEU A 51 5.870 2.654 6.031 1.00 0.00 C ATOM 0 H LEU A 51 5.876 5.800 2.319 1.00 0.00 H new ATOM 0 HA LEU A 51 6.357 5.329 5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.286 4.557 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.374 3.227 3.304 1.00 0.00 H new ATOM 0 HG LEU A 51 4.248 4.038 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.310 1.759 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.755 2.730 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.023 1.503 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.532 2.161 6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.332 1.920 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.599 3.424 6.284 1.00 0.00 H new ATOM 736 N SER A 52 8.446 4.044 4.948 1.00 0.00 N ATOM 737 CA SER A 52 9.717 3.340 4.828 1.00 0.00 C ATOM 738 C SER A 52 9.611 1.928 5.398 1.00 0.00 C ATOM 739 O SER A 52 9.258 1.741 6.562 1.00 0.00 O ATOM 740 CB SER A 52 10.822 4.112 5.551 1.00 0.00 C ATOM 741 OG SER A 52 12.076 3.916 4.923 1.00 0.00 O ATOM 0 H SER A 52 8.257 4.418 5.878 1.00 0.00 H new ATOM 0 HA SER A 52 9.967 3.269 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.580 5.175 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.877 3.787 6.590 1.00 0.00 H new ATOM 0 HG SER A 52 12.765 4.421 5.403 1.00 0.00 H new ATOM 747 N PHE A 53 9.920 0.937 4.568 1.00 0.00 N ATOM 748 CA PHE A 53 9.859 -0.458 4.987 1.00 0.00 C ATOM 749 C PHE A 53 10.975 -1.270 4.337 1.00 0.00 C ATOM 750 O PHE A 53 11.700 -0.772 3.475 1.00 0.00 O ATOM 751 CB PHE A 53 8.500 -1.061 4.630 1.00 0.00 C ATOM 752 CG PHE A 53 8.057 -0.753 3.228 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.440 -1.565 2.172 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.257 0.347 2.966 1.00 0.00 C ATOM 755 CE1 PHE A 53 8.035 -1.284 0.881 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.848 0.633 1.677 1.00 0.00 C ATOM 757 CZ PHE A 53 7.237 -0.184 0.633 1.00 0.00 C ATOM 0 H PHE A 53 10.215 1.074 3.601 1.00 0.00 H new ATOM 0 HA PHE A 53 9.991 -0.493 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.546 -2.142 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.751 -0.689 5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.062 -2.427 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.949 0.989 3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.342 -1.924 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.225 1.494 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.918 0.037 -0.375 1.00 0.00 H new ATOM 767 N SER A 54 11.108 -2.525 4.756 1.00 0.00 N ATOM 768 CA SER A 54 12.138 -3.406 4.218 1.00 0.00 C ATOM 769 C SER A 54 11.513 -4.620 3.539 1.00 0.00 C ATOM 770 O SER A 54 10.483 -5.132 3.979 1.00 0.00 O ATOM 771 CB SER A 54 13.083 -3.860 5.332 1.00 0.00 C ATOM 772 OG SER A 54 12.359 -4.383 6.433 1.00 0.00 O ATOM 0 H SER A 54 10.515 -2.954 5.466 1.00 0.00 H new ATOM 0 HA SER A 54 12.707 -2.848 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.765 -4.618 4.948 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.694 -3.019 5.661 1.00 0.00 H new ATOM 0 HG SER A 54 12.985 -4.668 7.131 1.00 0.00 H new ATOM 778 N LYS A 55 12.144 -5.078 2.462 1.00 0.00 N ATOM 779 CA LYS A 55 11.653 -6.233 1.720 1.00 0.00 C ATOM 780 C LYS A 55 11.044 -7.266 2.663 1.00 0.00 C ATOM 781 O LYS A 55 11.736 -7.834 3.507 1.00 0.00 O ATOM 782 CB LYS A 55 12.789 -6.868 0.915 1.00 0.00 C ATOM 783 CG LYS A 55 12.428 -8.215 0.312 1.00 0.00 C ATOM 784 CD LYS A 55 13.575 -8.785 -0.505 1.00 0.00 C ATOM 785 CE LYS A 55 13.115 -9.941 -1.380 1.00 0.00 C ATOM 786 NZ LYS A 55 12.642 -9.474 -2.713 1.00 0.00 N ATOM 0 H LYS A 55 12.997 -4.666 2.084 1.00 0.00 H new ATOM 0 HA LYS A 55 10.878 -5.891 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.081 -6.188 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.658 -6.990 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.165 -8.912 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.547 -8.107 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.002 -8.001 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.366 -9.126 0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.936 -10.645 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.311 -10.479 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.274 -10.283 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.887 -8.770 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.434 -9.043 -3.231 1.00 0.00 H new ATOM 800 N GLY A 56 9.745 -7.506 2.512 1.00 0.00 N ATOM 801 CA GLY A 56 9.066 -8.473 3.355 1.00 0.00 C ATOM 802 C GLY A 56 8.449 -7.836 4.584 1.00 0.00 C ATOM 803 O GLY A 56 8.211 -8.510 5.586 1.00 0.00 O ATOM 0 H GLY A 56 9.151 -7.048 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.287 -8.971 2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.774 -9.242 3.664 1.00 0.00 H new ATOM 807 N GLN A 57 8.190 -6.534 4.508 1.00 0.00 N ATOM 808 CA GLN A 57 7.598 -5.807 5.624 1.00 0.00 C ATOM 809 C GLN A 57 6.092 -6.043 5.691 1.00 0.00 C ATOM 810 O GLN A 57 5.471 -6.440 4.704 1.00 0.00 O ATOM 811 CB GLN A 57 7.887 -4.310 5.496 1.00 0.00 C ATOM 812 CG GLN A 57 7.687 -3.539 6.790 1.00 0.00 C ATOM 813 CD GLN A 57 8.425 -4.160 7.960 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.977 -5.153 8.534 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.563 -3.578 8.319 1.00 0.00 N ATOM 0 H GLN A 57 8.381 -5.962 3.685 1.00 0.00 H new ATOM 0 HA GLN A 57 8.046 -6.179 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.914 -4.174 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.239 -3.888 4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.028 -2.513 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.623 -3.493 7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.897 -2.757 7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.103 -3.952 9.099 1.00 0.00 H new ATOM 824 N LEU A 58 5.511 -5.795 6.860 1.00 0.00 N ATOM 825 CA LEU A 58 4.078 -5.981 7.056 1.00 0.00 C ATOM 826 C LEU A 58 3.303 -4.742 6.618 1.00 0.00 C ATOM 827 O LEU A 58 3.316 -3.717 7.300 1.00 0.00 O ATOM 828 CB LEU A 58 3.779 -6.290 8.524 1.00 0.00 C ATOM 829 CG LEU A 58 2.431 -5.800 9.052 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.298 -6.294 8.166 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.223 -6.256 10.489 1.00 0.00 C ATOM 0 H LEU A 58 6.010 -5.465 7.686 1.00 0.00 H new ATOM 0 HA LEU A 58 3.759 -6.823 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.831 -7.370 8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.567 -5.850 9.135 1.00 0.00 H new ATOM 0 HG LEU A 58 2.431 -4.710 9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.346 -5.935 8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.438 -5.918 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.296 -7.384 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.258 -5.898 10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.245 -7.345 10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.017 -5.852 11.117 1.00 0.00 H new ATOM 843 N ILE A 59 2.629 -4.844 5.477 1.00 0.00 N ATOM 844 CA ILE A 59 1.847 -3.733 4.950 1.00 0.00 C ATOM 845 C ILE A 59 0.411 -4.159 4.663 1.00 0.00 C ATOM 846 O ILE A 59 0.172 -5.215 4.077 1.00 0.00 O ATOM 847 CB ILE A 59 2.470 -3.167 3.661 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.861 -2.597 3.949 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.568 -2.098 3.062 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.784 -2.623 2.751 1.00 0.00 C ATOM 0 H ILE A 59 2.609 -5.685 4.900 1.00 0.00 H new ATOM 0 HA ILE A 59 1.847 -2.956 5.715 1.00 0.00 H new ATOM 0 HB ILE A 59 2.571 -3.976 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.759 -1.569 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.316 -3.164 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.022 -1.707 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.597 -2.532 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.438 -1.288 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.751 -2.204 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.916 -3.652 2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.350 -2.032 1.945 1.00 0.00 H new ATOM 862 N ASN A 60 -0.541 -3.330 5.077 1.00 0.00 N ATOM 863 CA ASN A 60 -1.954 -3.621 4.863 1.00 0.00 C ATOM 864 C ASN A 60 -2.627 -2.499 4.078 1.00 0.00 C ATOM 865 O ASN A 60 -2.901 -1.426 4.617 1.00 0.00 O ATOM 866 CB ASN A 60 -2.665 -3.817 6.203 1.00 0.00 C ATOM 867 CG ASN A 60 -2.645 -5.263 6.662 1.00 0.00 C ATOM 868 OD1 ASN A 60 -3.526 -6.077 6.092 1.00 0.00 O flip ATOM 869 ND2 ASN A 60 -1.846 -5.643 7.518 1.00 0.00 N flip ATOM 0 H ASN A 60 -0.360 -2.451 5.563 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.026 -4.541 4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.189 -3.192 6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.698 -3.481 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.186 -4.982 7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.843 -6.618 7.816 1.00 0.00 H new ATOM 876 N VAL A 61 -2.891 -2.754 2.800 1.00 0.00 N ATOM 877 CA VAL A 61 -3.534 -1.767 1.940 1.00 0.00 C ATOM 878 C VAL A 61 -4.877 -1.330 2.514 1.00 0.00 C ATOM 879 O VAL A 61 -5.766 -2.151 2.734 1.00 0.00 O ATOM 880 CB VAL A 61 -3.750 -2.318 0.518 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.336 -1.245 -0.387 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.445 -2.853 -0.050 1.00 0.00 C ATOM 0 H VAL A 61 -2.669 -3.636 2.337 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.866 -0.907 1.891 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.461 -3.143 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.482 -1.653 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.295 -0.915 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.652 -0.398 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.616 -3.238 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.709 -2.050 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.073 -3.655 0.587 1.00 0.00 H new ATOM 892 N MET A 62 -5.016 -0.030 2.754 1.00 0.00 N ATOM 893 CA MET A 62 -6.252 0.518 3.301 1.00 0.00 C ATOM 894 C MET A 62 -7.024 1.288 2.235 1.00 0.00 C ATOM 895 O MET A 62 -8.252 1.239 2.188 1.00 0.00 O ATOM 896 CB MET A 62 -5.948 1.433 4.489 1.00 0.00 C ATOM 897 CG MET A 62 -5.115 0.767 5.572 1.00 0.00 C ATOM 898 SD MET A 62 -6.127 -0.040 6.827 1.00 0.00 S ATOM 899 CE MET A 62 -6.171 1.227 8.092 1.00 0.00 C ATOM 0 H MET A 62 -4.289 0.663 2.578 1.00 0.00 H new ATOM 0 HA MET A 62 -6.869 -0.313 3.641 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.422 2.318 4.130 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.887 1.775 4.923 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.454 0.031 5.115 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.480 1.514 6.048 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.762 0.876 8.938 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.156 1.445 8.424 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.621 2.132 7.685 1.00 0.00 H new ATOM 909 N ASN A 63 -6.295 1.999 1.381 1.00 0.00 N ATOM 910 CA ASN A 63 -6.912 2.781 0.315 1.00 0.00 C ATOM 911 C ASN A 63 -6.061 2.744 -0.950 1.00 0.00 C ATOM 912 O ASN A 63 -4.989 3.347 -1.009 1.00 0.00 O ATOM 913 CB ASN A 63 -7.111 4.229 0.767 1.00 0.00 C ATOM 914 CG ASN A 63 -7.960 5.027 -0.205 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.754 4.969 -1.417 1.00 0.00 O ATOM 916 ND2 ASN A 63 -8.920 5.776 0.325 1.00 0.00 N ATOM 0 H ASN A 63 -5.277 2.050 1.406 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.883 2.340 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.583 4.238 1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.139 4.710 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.523 6.334 -0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.054 5.793 1.336 1.00 0.00 H new ATOM 923 N LYS A 64 -6.545 2.032 -1.962 1.00 0.00 N ATOM 924 CA LYS A 64 -5.831 1.916 -3.228 1.00 0.00 C ATOM 925 C LYS A 64 -6.610 2.587 -4.355 1.00 0.00 C ATOM 926 O LYS A 64 -6.715 2.047 -5.457 1.00 0.00 O ATOM 927 CB LYS A 64 -5.589 0.444 -3.568 1.00 0.00 C ATOM 928 CG LYS A 64 -6.855 -0.394 -3.582 1.00 0.00 C ATOM 929 CD LYS A 64 -6.733 -1.573 -4.533 1.00 0.00 C ATOM 930 CE LYS A 64 -6.146 -2.791 -3.837 1.00 0.00 C ATOM 931 NZ LYS A 64 -7.122 -3.421 -2.905 1.00 0.00 N ATOM 0 H LYS A 64 -7.430 1.526 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.871 2.421 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.110 0.380 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.892 0.022 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.063 -0.757 -2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.700 0.227 -3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.715 -1.821 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.103 -1.297 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.834 -3.521 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.253 -2.498 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.645 -3.659 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.900 -2.757 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.504 -4.287 -3.336 1.00 0.00 H new ATOM 945 N ASP A 65 -7.153 3.766 -4.073 1.00 0.00 N ATOM 946 CA ASP A 65 -7.920 4.512 -5.064 1.00 0.00 C ATOM 947 C ASP A 65 -7.224 4.486 -6.421 1.00 0.00 C ATOM 948 O ASP A 65 -7.827 4.124 -7.432 1.00 0.00 O ATOM 949 CB ASP A 65 -8.117 5.958 -4.605 1.00 0.00 C ATOM 950 CG ASP A 65 -9.271 6.638 -5.314 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.400 6.109 -5.250 1.00 0.00 O ATOM 952 OD2 ASP A 65 -9.046 7.699 -5.934 1.00 0.00 O ATOM 0 H ASP A 65 -7.076 4.226 -3.166 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.895 4.036 -5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.295 5.974 -3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.201 6.521 -4.785 1.00 0.00 H new ATOM 957 N ASP A 66 -5.954 4.873 -6.437 1.00 0.00 N ATOM 958 CA ASP A 66 -5.176 4.894 -7.670 1.00 0.00 C ATOM 959 C ASP A 66 -4.308 3.645 -7.786 1.00 0.00 C ATOM 960 O ASP A 66 -3.609 3.255 -6.851 1.00 0.00 O ATOM 961 CB ASP A 66 -4.299 6.146 -7.724 1.00 0.00 C ATOM 962 CG ASP A 66 -5.063 7.368 -8.193 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.252 7.498 -7.834 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.472 8.195 -8.919 1.00 0.00 O ATOM 0 H ASP A 66 -5.441 5.177 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.872 4.911 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.884 6.338 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.458 5.968 -8.394 1.00 0.00 H new ATOM 969 N PRO A 67 -4.353 3.000 -8.962 1.00 0.00 N ATOM 970 CA PRO A 67 -3.578 1.785 -9.228 1.00 0.00 C ATOM 971 C PRO A 67 -2.081 2.062 -9.327 1.00 0.00 C ATOM 972 O PRO A 67 -1.284 1.149 -9.543 1.00 0.00 O ATOM 973 CB PRO A 67 -4.123 1.305 -10.576 1.00 0.00 C ATOM 974 CG PRO A 67 -4.649 2.534 -11.231 1.00 0.00 C ATOM 975 CD PRO A 67 -5.165 3.407 -10.121 1.00 0.00 C ATOM 0 HA PRO A 67 -3.679 1.053 -8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.341 0.840 -11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.908 0.560 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.866 3.041 -11.794 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.443 2.291 -11.937 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.037 4.465 -10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.228 3.245 -9.944 1.00 0.00 H new ATOM 983 N ASP A 68 -1.707 3.326 -9.167 1.00 0.00 N ATOM 984 CA ASP A 68 -0.306 3.723 -9.236 1.00 0.00 C ATOM 985 C ASP A 68 0.337 3.693 -7.853 1.00 0.00 C ATOM 986 O ASP A 68 1.458 3.211 -7.689 1.00 0.00 O ATOM 987 CB ASP A 68 -0.179 5.123 -9.840 1.00 0.00 C ATOM 988 CG ASP A 68 -1.279 5.423 -10.840 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.445 5.563 -10.415 1.00 0.00 O ATOM 990 OD2 ASP A 68 -0.973 5.520 -12.046 1.00 0.00 O ATOM 0 H ASP A 68 -2.355 4.094 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 68 0.216 3.011 -9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.206 5.864 -9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.790 5.218 -10.330 1.00 0.00 H new ATOM 995 N TRP A 69 -0.380 4.211 -6.862 1.00 0.00 N ATOM 996 CA TRP A 69 0.121 4.244 -5.493 1.00 0.00 C ATOM 997 C TRP A 69 -0.934 3.741 -4.515 1.00 0.00 C ATOM 998 O TRP A 69 -2.122 4.027 -4.668 1.00 0.00 O ATOM 999 CB TRP A 69 0.547 5.665 -5.118 1.00 0.00 C ATOM 1000 CG TRP A 69 1.942 6.000 -5.549 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.389 6.154 -6.831 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.073 6.221 -4.699 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.729 6.458 -6.828 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.172 6.506 -5.532 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.262 6.209 -3.314 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.441 6.773 -5.025 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.522 6.475 -2.813 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.598 6.755 -3.666 1.00 0.00 C ATOM 0 H TRP A 69 -1.310 4.614 -6.981 1.00 0.00 H new ATOM 0 HA TRP A 69 0.987 3.585 -5.433 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.146 6.375 -5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.469 5.787 -4.038 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.779 6.052 -7.716 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.301 6.621 -7.656 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.439 5.996 -2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.272 6.987 -5.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.680 6.467 -1.745 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.570 6.961 -3.242 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.494 2.992 -3.510 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.403 2.450 -2.506 1.00 0.00 C ATOM 1021 C TRP A 70 -0.991 2.888 -1.105 1.00 0.00 C ATOM 1022 O TRP A 70 0.162 3.250 -0.874 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.434 0.923 -2.588 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.047 0.407 -3.855 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.871 1.090 -4.703 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.886 -0.900 -4.415 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.232 0.285 -5.757 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.640 -0.940 -5.604 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.176 -2.041 -4.029 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.705 -2.076 -6.407 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.241 -3.167 -4.827 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.000 -3.178 -6.005 1.00 0.00 C ATOM 0 H TRP A 70 0.486 2.746 -3.369 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.401 2.838 -2.708 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.416 0.541 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.993 0.532 -1.737 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.192 2.112 -4.566 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.842 0.556 -6.528 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.587 -2.042 -3.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.291 -2.087 -7.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.697 -4.054 -4.538 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.029 -4.074 -6.608 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.941 2.853 -0.176 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.674 3.248 1.202 1.00 0.00 C ATOM 1045 C GLN A 71 -1.706 2.038 2.131 1.00 0.00 C ATOM 1046 O GLN A 71 -2.677 1.283 2.151 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.698 4.286 1.664 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.535 4.696 3.119 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.278 5.975 3.452 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.075 6.469 2.654 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -3.021 6.518 4.636 1.00 0.00 N ATOM 0 H GLN A 71 -2.901 2.556 -0.352 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.677 3.688 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.615 5.172 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.701 3.885 1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.896 3.893 3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.476 4.828 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.353 6.074 5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.492 7.379 4.915 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.635 1.860 2.899 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.560 0.740 3.818 1.00 0.00 C ATOM 1062 C GLY A 72 -0.161 1.164 5.218 1.00 0.00 C ATOM 1063 O GLY A 72 -0.059 2.356 5.506 1.00 0.00 O ATOM 0 H GLY A 72 0.181 2.471 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.527 0.239 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.161 0.014 3.442 1.00 0.00 H new ATOM 1067 N GLU A 73 0.063 0.186 6.090 1.00 0.00 N ATOM 1068 CA GLU A 73 0.450 0.467 7.468 1.00 0.00 C ATOM 1069 C GLU A 73 1.519 -0.514 7.943 1.00 0.00 C ATOM 1070 O GLU A 73 1.642 -1.619 7.413 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.770 0.394 8.388 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.442 -0.968 8.401 1.00 0.00 C ATOM 1073 CD GLU A 73 -0.894 -1.879 9.482 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -1.230 -1.666 10.666 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -0.128 -2.806 9.144 1.00 0.00 O ATOM 0 H GLU A 73 -0.017 -0.806 5.867 1.00 0.00 H new ATOM 0 HA GLU A 73 0.864 1.475 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.465 0.649 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.496 1.145 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.514 -0.839 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.310 -1.443 7.429 1.00 0.00 H new ATOM 1082 N ILE A 74 2.289 -0.101 8.944 1.00 0.00 N ATOM 1083 CA ILE A 74 3.347 -0.942 9.490 1.00 0.00 C ATOM 1084 C ILE A 74 3.679 -0.545 10.925 1.00 0.00 C ATOM 1085 O ILE A 74 4.108 0.578 11.185 1.00 0.00 O ATOM 1086 CB ILE A 74 4.627 -0.863 8.638 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.271 -0.727 7.156 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.495 -2.091 8.870 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.475 -0.531 6.261 1.00 0.00 C ATOM 0 H ILE A 74 2.200 0.810 9.393 1.00 0.00 H new ATOM 0 HA ILE A 74 2.974 -1.966 9.475 1.00 0.00 H new ATOM 0 HB ILE A 74 5.193 0.019 8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.732 -1.619 6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.593 0.117 7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.396 -2.020 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.772 -2.147 9.923 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.939 -2.987 8.593 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.148 -0.442 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.002 0.377 6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.144 -1.386 6.358 1.00 0.00 H new ATOM 1101 N ASN A 75 3.478 -1.476 11.852 1.00 0.00 N ATOM 1102 CA ASN A 75 3.758 -1.224 13.261 1.00 0.00 C ATOM 1103 C ASN A 75 3.029 0.026 13.745 1.00 0.00 C ATOM 1104 O ASN A 75 3.612 0.878 14.414 1.00 0.00 O ATOM 1105 CB ASN A 75 5.264 -1.067 13.484 1.00 0.00 C ATOM 1106 CG ASN A 75 5.955 -2.397 13.717 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.490 -3.221 14.505 1.00 0.00 O ATOM 1108 ND2 ASN A 75 7.071 -2.612 13.031 1.00 0.00 N ATOM 0 H ASN A 75 3.123 -2.411 11.653 1.00 0.00 H new ATOM 0 HA ASN A 75 3.400 -2.078 13.835 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.708 -0.577 12.618 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.436 -0.416 14.341 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.580 -3.489 13.146 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.420 -1.901 12.389 1.00 0.00 H new ATOM 1115 N GLY A 76 1.748 0.128 13.401 1.00 0.00 N ATOM 1116 CA GLY A 76 0.960 1.276 13.809 1.00 0.00 C ATOM 1117 C GLY A 76 1.351 2.540 13.070 1.00 0.00 C ATOM 1118 O GLY A 76 0.978 3.643 13.471 1.00 0.00 O ATOM 0 H GLY A 76 1.243 -0.564 12.847 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.096 1.069 13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.081 1.433 14.881 1.00 0.00 H new ATOM 1122 N VAL A 77 2.107 2.382 11.988 1.00 0.00 N ATOM 1123 CA VAL A 77 2.550 3.520 11.192 1.00 0.00 C ATOM 1124 C VAL A 77 1.840 3.556 9.843 1.00 0.00 C ATOM 1125 O VAL A 77 1.472 2.517 9.294 1.00 0.00 O ATOM 1126 CB VAL A 77 4.072 3.483 10.958 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.399 2.709 9.689 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.635 4.894 10.891 1.00 0.00 C ATOM 0 H VAL A 77 2.425 1.477 11.643 1.00 0.00 H new ATOM 0 HA VAL A 77 2.299 4.418 11.756 1.00 0.00 H new ATOM 0 HB VAL A 77 4.539 2.970 11.799 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.479 2.694 9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.031 1.687 9.781 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.922 3.191 8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.711 4.849 10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.164 5.435 10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.434 5.411 11.829 1.00 0.00 H new ATOM 1138 N THR A 78 1.651 4.760 9.312 1.00 0.00 N ATOM 1139 CA THR A 78 0.985 4.933 8.027 1.00 0.00 C ATOM 1140 C THR A 78 1.736 5.925 7.147 1.00 0.00 C ATOM 1141 O THR A 78 2.355 6.865 7.644 1.00 0.00 O ATOM 1142 CB THR A 78 -0.466 5.419 8.207 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.488 6.606 9.008 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.319 4.344 8.862 1.00 0.00 C ATOM 0 H THR A 78 1.950 5.630 9.752 1.00 0.00 H new ATOM 0 HA THR A 78 0.976 3.957 7.542 1.00 0.00 H new ATOM 0 HB THR A 78 -0.878 5.637 7.222 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.413 6.910 9.117 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.339 4.710 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.323 3.451 8.236 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.907 4.099 9.841 1.00 0.00 H new ATOM 1152 N GLY A 79 1.677 5.710 5.836 1.00 0.00 N ATOM 1153 CA GLY A 79 2.356 6.595 4.908 1.00 0.00 C ATOM 1154 C GLY A 79 1.855 6.438 3.486 1.00 0.00 C ATOM 1155 O GLY A 79 0.655 6.290 3.255 1.00 0.00 O ATOM 0 H GLY A 79 1.171 4.939 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.216 7.628 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.427 6.394 4.937 1.00 0.00 H new ATOM 1159 N LEU A 80 2.777 6.471 2.529 1.00 0.00 N ATOM 1160 CA LEU A 80 2.422 6.333 1.121 1.00 0.00 C ATOM 1161 C LEU A 80 3.497 5.560 0.363 1.00 0.00 C ATOM 1162 O LEU A 80 4.692 5.768 0.574 1.00 0.00 O ATOM 1163 CB LEU A 80 2.225 7.711 0.487 1.00 0.00 C ATOM 1164 CG LEU A 80 0.951 8.456 0.883 1.00 0.00 C ATOM 1165 CD1 LEU A 80 0.993 9.891 0.381 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.277 7.737 0.344 1.00 0.00 C ATOM 0 H LEU A 80 3.775 6.592 2.703 1.00 0.00 H new ATOM 0 HA LEU A 80 1.487 5.775 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.081 8.334 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.232 7.594 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 80 0.888 8.475 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.077 10.405 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.851 10.403 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.081 9.894 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.175 8.282 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.221 7.686 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.316 6.727 0.753 1.00 0.00 H new ATOM 1178 N PHE A 81 3.064 4.670 -0.524 1.00 0.00 N ATOM 1179 CA PHE A 81 3.988 3.866 -1.315 1.00 0.00 C ATOM 1180 C PHE A 81 3.338 3.415 -2.619 1.00 0.00 C ATOM 1181 O PHE A 81 2.116 3.305 -2.728 1.00 0.00 O ATOM 1182 CB PHE A 81 4.452 2.648 -0.515 1.00 0.00 C ATOM 1183 CG PHE A 81 3.321 1.832 0.045 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.422 1.199 -0.799 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.157 1.699 1.414 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.381 0.448 -0.287 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.118 0.949 1.931 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.228 0.324 1.080 1.00 0.00 C ATOM 0 H PHE A 81 2.078 4.487 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 81 4.853 4.484 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.064 2.014 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.089 2.982 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.536 1.294 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.849 2.187 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.688 -0.041 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.002 0.852 3.000 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.414 -0.261 1.483 1.00 0.00 H new ATOM 1198 N PRO A 82 4.172 3.148 -3.635 1.00 0.00 N ATOM 1199 CA PRO A 82 3.702 2.705 -4.950 1.00 0.00 C ATOM 1200 C PRO A 82 3.134 1.290 -4.916 1.00 0.00 C ATOM 1201 O PRO A 82 3.614 0.436 -4.172 1.00 0.00 O ATOM 1202 CB PRO A 82 4.965 2.753 -5.814 1.00 0.00 C ATOM 1203 CG PRO A 82 6.089 2.595 -4.849 1.00 0.00 C ATOM 1204 CD PRO A 82 5.640 3.258 -3.577 1.00 0.00 C ATOM 0 HA PRO A 82 2.890 3.329 -5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.967 1.956 -6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.038 3.696 -6.356 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.314 1.542 -4.681 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.999 3.059 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.046 2.758 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.964 4.298 -3.530 1.00 0.00 H new ATOM 1212 N SER A 83 2.109 1.049 -5.728 1.00 0.00 N ATOM 1213 CA SER A 83 1.473 -0.262 -5.788 1.00 0.00 C ATOM 1214 C SER A 83 2.328 -1.244 -6.584 1.00 0.00 C ATOM 1215 O SER A 83 1.904 -2.363 -6.868 1.00 0.00 O ATOM 1216 CB SER A 83 0.084 -0.150 -6.418 1.00 0.00 C ATOM 1217 OG SER A 83 0.166 0.316 -7.754 1.00 0.00 O ATOM 0 H SER A 83 1.702 1.744 -6.353 1.00 0.00 H new ATOM 0 HA SER A 83 1.372 -0.637 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.407 -1.123 -6.398 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.532 0.530 -5.829 1.00 0.00 H new ATOM 0 HG SER A 83 -0.732 0.352 -8.144 1.00 0.00 H new ATOM 1223 N ASN A 84 3.534 -0.815 -6.940 1.00 0.00 N ATOM 1224 CA ASN A 84 4.449 -1.655 -7.704 1.00 0.00 C ATOM 1225 C ASN A 84 5.553 -2.211 -6.809 1.00 0.00 C ATOM 1226 O ASN A 84 6.350 -3.047 -7.235 1.00 0.00 O ATOM 1227 CB ASN A 84 5.065 -0.859 -8.856 1.00 0.00 C ATOM 1228 CG ASN A 84 6.344 -0.151 -8.451 1.00 0.00 C ATOM 1229 OD1 ASN A 84 6.329 1.176 -8.507 1.00 0.00 O flip ATOM 1230 ND2 ASN A 84 7.333 -0.790 -8.092 1.00 0.00 N flip ATOM 0 H ASN A 84 3.901 0.109 -6.712 1.00 0.00 H new ATOM 0 HA ASN A 84 3.880 -2.490 -8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.273 -1.531 -9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.343 -0.124 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.299 -1.809 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.186 -0.300 -7.822 1.00 0.00 H new ATOM 1237 N TYR A 85 5.592 -1.742 -5.567 1.00 0.00 N ATOM 1238 CA TYR A 85 6.598 -2.191 -4.611 1.00 0.00 C ATOM 1239 C TYR A 85 5.994 -3.157 -3.597 1.00 0.00 C ATOM 1240 O TYR A 85 6.572 -3.407 -2.539 1.00 0.00 O ATOM 1241 CB TYR A 85 7.213 -0.992 -3.886 1.00 0.00 C ATOM 1242 CG TYR A 85 8.402 -0.395 -4.605 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.241 0.301 -5.796 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.687 -0.527 -4.092 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.325 0.847 -6.457 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.776 0.017 -4.744 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.590 0.703 -5.926 1.00 0.00 C ATOM 1248 OH TYR A 85 11.672 1.247 -6.580 1.00 0.00 O ATOM 0 H TYR A 85 4.939 -1.051 -5.198 1.00 0.00 H new ATOM 0 HA TYR A 85 7.379 -2.714 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.451 -0.223 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.521 -1.301 -2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.252 0.418 -6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.836 -1.064 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.183 1.383 -7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.768 -0.094 -4.331 1.00 0.00 H new ATOM 0 HH TYR A 85 12.489 1.057 -6.074 1.00 0.00 H new ATOM 1258 N VAL A 86 4.826 -3.699 -3.929 1.00 0.00 N ATOM 1259 CA VAL A 86 4.142 -4.640 -3.049 1.00 0.00 C ATOM 1260 C VAL A 86 3.449 -5.736 -3.850 1.00 0.00 C ATOM 1261 O VAL A 86 2.862 -5.476 -4.901 1.00 0.00 O ATOM 1262 CB VAL A 86 3.101 -3.927 -2.166 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.758 -2.828 -1.346 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.974 -3.365 -3.020 1.00 0.00 C ATOM 0 H VAL A 86 4.334 -3.503 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 86 4.903 -5.088 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 86 2.675 -4.656 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.006 -2.336 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.526 -3.262 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.213 -2.098 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.247 -2.865 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.381 -2.650 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.485 -4.177 -3.558 1.00 0.00 H new ATOM 1274 N LYS A 87 3.520 -6.964 -3.347 1.00 0.00 N ATOM 1275 CA LYS A 87 2.897 -8.101 -4.013 1.00 0.00 C ATOM 1276 C LYS A 87 1.775 -8.684 -3.161 1.00 0.00 C ATOM 1277 O LYS A 87 2.001 -9.116 -2.031 1.00 0.00 O ATOM 1278 CB LYS A 87 3.942 -9.181 -4.306 1.00 0.00 C ATOM 1279 CG LYS A 87 3.341 -10.513 -4.720 1.00 0.00 C ATOM 1280 CD LYS A 87 2.659 -10.419 -6.075 1.00 0.00 C ATOM 1281 CE LYS A 87 3.646 -10.633 -7.212 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.916 -12.078 -7.449 1.00 0.00 N ATOM 0 H LYS A 87 4.003 -7.197 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 87 2.471 -7.750 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.604 -8.829 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.557 -9.330 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.124 -11.271 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.619 -10.837 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.865 -11.163 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.188 -9.441 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.253 -10.183 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.581 -10.122 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.593 -12.181 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.315 -12.502 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.028 -12.561 -7.694 1.00 0.00 H new