USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 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 -118:sc= -2.8 (180deg=-7.82!) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 35 CYS SG : rot 180:sc= 0.149 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 43 TYR OH : rot -97:sc= 0.28 USER MOD Single : A 52 SER OG : rot 43:sc= 0.329 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 138:sc= 0.145 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.768 K(o=-0.77,f=-3.5!) USER MOD Single : A 60 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.9!) 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+ -167:sc=-0.00416 (180deg=-0.117) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -172:sc= 0.555 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= -0.041 (180deg=-0.321) USER MOD ----------------------------------------------------------------- ATOM 467 N VAL A 34 -8.353 -3.047 3.061 1.00 0.00 N ATOM 468 CA VAL A 34 -8.939 -3.654 1.872 1.00 0.00 C ATOM 469 C VAL A 34 -8.289 -4.999 1.565 1.00 0.00 C ATOM 470 O VAL A 34 -8.953 -5.930 1.108 1.00 0.00 O ATOM 471 CB VAL A 34 -8.796 -2.735 0.644 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.368 -2.759 0.122 1.00 0.00 C ATOM 473 CG2 VAL A 34 -9.777 -3.145 -0.444 1.00 0.00 C ATOM 0 HA VAL A 34 -9.998 -3.805 2.082 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.029 -1.714 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.287 -2.104 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.690 -2.414 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.103 -3.776 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.663 -2.486 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.577 -4.173 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.795 -3.071 -0.063 1.00 0.00 H new ATOM 483 N CYS A 35 -6.989 -5.093 1.818 1.00 0.00 N ATOM 484 CA CYS A 35 -6.249 -6.325 1.568 1.00 0.00 C ATOM 485 C CYS A 35 -4.864 -6.266 2.206 1.00 0.00 C ATOM 486 O CYS A 35 -4.475 -5.245 2.773 1.00 0.00 O ATOM 487 CB CYS A 35 -6.120 -6.571 0.064 1.00 0.00 C ATOM 488 SG CYS A 35 -6.019 -8.318 -0.391 1.00 0.00 S ATOM 0 H CYS A 35 -6.425 -4.332 2.196 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.802 -7.150 2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.976 -6.124 -0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.230 -6.059 -0.302 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.914 -8.425 -1.682 1.00 0.00 H new ATOM 494 N GLN A 36 -4.127 -7.368 2.110 1.00 0.00 N ATOM 495 CA GLN A 36 -2.787 -7.441 2.680 1.00 0.00 C ATOM 496 C GLN A 36 -1.755 -7.762 1.605 1.00 0.00 C ATOM 497 O GLN A 36 -1.907 -8.722 0.849 1.00 0.00 O ATOM 498 CB GLN A 36 -2.737 -8.500 3.784 1.00 0.00 C ATOM 499 CG GLN A 36 -1.445 -8.483 4.585 1.00 0.00 C ATOM 500 CD GLN A 36 -1.442 -9.501 5.708 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.356 -10.317 5.825 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.410 -9.458 6.543 1.00 0.00 N ATOM 0 H GLN A 36 -4.435 -8.221 1.644 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.548 -6.468 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.577 -8.346 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.864 -9.486 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.606 -8.681 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.293 -7.487 5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.326 -8.765 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.353 -10.118 7.318 1.00 0.00 H new ATOM 511 N VAL A 37 -0.703 -6.951 1.540 1.00 0.00 N ATOM 512 CA VAL A 37 0.355 -7.148 0.557 1.00 0.00 C ATOM 513 C VAL A 37 1.725 -7.185 1.224 1.00 0.00 C ATOM 514 O VAL A 37 1.863 -6.849 2.401 1.00 0.00 O ATOM 515 CB VAL A 37 0.345 -6.036 -0.509 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.958 -6.060 -1.293 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.564 -4.677 0.137 1.00 0.00 C ATOM 0 H VAL A 37 -0.561 -6.151 2.157 1.00 0.00 H new ATOM 0 HA VAL A 37 0.163 -8.106 0.074 1.00 0.00 H new ATOM 0 HB VAL A 37 1.163 -6.217 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.947 -5.268 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.067 -7.025 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.795 -5.905 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.554 -3.903 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.231 -4.484 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.527 -4.668 0.648 1.00 0.00 H new ATOM 527 N ILE A 38 2.736 -7.594 0.465 1.00 0.00 N ATOM 528 CA ILE A 38 4.096 -7.673 0.983 1.00 0.00 C ATOM 529 C ILE A 38 5.057 -6.847 0.134 1.00 0.00 C ATOM 530 O ILE A 38 4.902 -6.755 -1.084 1.00 0.00 O ATOM 531 CB ILE A 38 4.596 -9.128 1.034 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.680 -9.282 2.103 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.123 -9.556 -0.327 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.137 -9.649 3.466 1.00 0.00 C ATOM 0 H ILE A 38 2.639 -7.876 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 38 4.071 -7.270 1.996 1.00 0.00 H new ATOM 0 HB ILE A 38 3.758 -9.774 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.387 -10.048 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.236 -8.348 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.473 -10.587 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.325 -9.481 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.949 -8.907 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.961 -9.741 4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.452 -8.872 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.605 -10.598 3.402 1.00 0.00 H new ATOM 546 N ALA A 39 6.049 -6.249 0.785 1.00 0.00 N ATOM 547 CA ALA A 39 7.038 -5.434 0.089 1.00 0.00 C ATOM 548 C ALA A 39 7.956 -6.299 -0.768 1.00 0.00 C ATOM 549 O ALA A 39 8.470 -7.318 -0.310 1.00 0.00 O ATOM 550 CB ALA A 39 7.851 -4.625 1.087 1.00 0.00 C ATOM 0 H ALA A 39 6.189 -6.313 1.793 1.00 0.00 H new ATOM 0 HA ALA A 39 6.508 -4.748 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.585 -4.021 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.187 -3.972 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.365 -5.301 1.771 1.00 0.00 H new ATOM 556 N MET A 40 8.158 -5.884 -2.015 1.00 0.00 N ATOM 557 CA MET A 40 9.016 -6.621 -2.935 1.00 0.00 C ATOM 558 C MET A 40 10.465 -6.159 -2.816 1.00 0.00 C ATOM 559 O MET A 40 11.394 -6.940 -3.020 1.00 0.00 O ATOM 560 CB MET A 40 8.528 -6.443 -4.374 1.00 0.00 C ATOM 561 CG MET A 40 7.223 -7.165 -4.668 1.00 0.00 C ATOM 562 SD MET A 40 6.983 -7.478 -6.427 1.00 0.00 S ATOM 563 CE MET A 40 7.045 -5.811 -7.079 1.00 0.00 C ATOM 0 H MET A 40 7.739 -5.042 -2.411 1.00 0.00 H new ATOM 0 HA MET A 40 8.968 -7.677 -2.670 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.399 -5.380 -4.576 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.296 -6.806 -5.057 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.207 -8.112 -4.129 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.391 -6.570 -4.292 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.092 -5.568 -7.548 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.239 -5.110 -6.267 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.842 -5.739 -7.819 1.00 0.00 H new ATOM 573 N TYR A 41 10.650 -4.886 -2.486 1.00 0.00 N ATOM 574 CA TYR A 41 11.986 -4.320 -2.343 1.00 0.00 C ATOM 575 C TYR A 41 12.032 -3.317 -1.193 1.00 0.00 C ATOM 576 O TYR A 41 11.118 -2.511 -1.021 1.00 0.00 O ATOM 577 CB TYR A 41 12.417 -3.641 -3.644 1.00 0.00 C ATOM 578 CG TYR A 41 11.825 -4.275 -4.882 1.00 0.00 C ATOM 579 CD1 TYR A 41 10.602 -3.850 -5.388 1.00 0.00 C ATOM 580 CD2 TYR A 41 12.488 -5.299 -5.547 1.00 0.00 C ATOM 581 CE1 TYR A 41 10.057 -4.427 -6.518 1.00 0.00 C ATOM 582 CE2 TYR A 41 11.951 -5.880 -6.680 1.00 0.00 C ATOM 583 CZ TYR A 41 10.736 -5.441 -7.161 1.00 0.00 C ATOM 584 OH TYR A 41 10.197 -6.019 -8.288 1.00 0.00 O ATOM 0 H TYR A 41 9.892 -4.226 -2.312 1.00 0.00 H new ATOM 0 HA TYR A 41 12.676 -5.134 -2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.127 -2.591 -3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.504 -3.669 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.069 -3.055 -4.889 1.00 0.00 H new ATOM 0 HD2 TYR A 41 13.439 -5.647 -5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.104 -4.086 -6.896 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.480 -6.674 -7.186 1.00 0.00 H new ATOM 0 HH TYR A 41 10.801 -6.716 -8.619 1.00 0.00 H new ATOM 594 N ASP A 42 13.104 -3.374 -0.411 1.00 0.00 N ATOM 595 CA ASP A 42 13.272 -2.471 0.722 1.00 0.00 C ATOM 596 C ASP A 42 13.006 -1.027 0.310 1.00 0.00 C ATOM 597 O ASP A 42 13.799 -0.419 -0.409 1.00 0.00 O ATOM 598 CB ASP A 42 14.684 -2.598 1.297 1.00 0.00 C ATOM 599 CG ASP A 42 15.746 -2.656 0.216 1.00 0.00 C ATOM 600 OD1 ASP A 42 16.028 -3.766 -0.279 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.296 -1.590 -0.133 1.00 0.00 O ATOM 0 H ASP A 42 13.870 -4.036 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 42 12.549 -2.750 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.884 -1.751 1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.744 -3.497 1.910 1.00 0.00 H new ATOM 606 N TYR A 43 11.883 -0.484 0.768 1.00 0.00 N ATOM 607 CA TYR A 43 11.510 0.888 0.444 1.00 0.00 C ATOM 608 C TYR A 43 11.994 1.853 1.522 1.00 0.00 C ATOM 609 O TYR A 43 11.807 1.615 2.714 1.00 0.00 O ATOM 610 CB TYR A 43 9.993 1.001 0.287 1.00 0.00 C ATOM 611 CG TYR A 43 9.557 2.196 -0.532 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.740 3.490 -0.060 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.961 2.031 -1.776 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.343 4.584 -0.804 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.563 3.119 -2.527 1.00 0.00 C ATOM 616 CZ TYR A 43 8.755 4.394 -2.037 1.00 0.00 C ATOM 617 OH TYR A 43 8.358 5.480 -2.782 1.00 0.00 O ATOM 0 H TYR A 43 11.216 -0.973 1.365 1.00 0.00 H new ATOM 0 HA TYR A 43 11.988 1.155 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.616 0.092 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.537 1.062 1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.200 3.643 0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.806 1.034 -2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.492 5.583 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.104 2.973 -3.493 1.00 0.00 H new ATOM 0 HH TYR A 43 7.403 5.644 -2.637 1.00 0.00 H new ATOM 627 N ALA A 44 12.619 2.944 1.091 1.00 0.00 N ATOM 628 CA ALA A 44 13.128 3.948 2.017 1.00 0.00 C ATOM 629 C ALA A 44 12.477 5.305 1.769 1.00 0.00 C ATOM 630 O ALA A 44 12.798 5.990 0.798 1.00 0.00 O ATOM 631 CB ALA A 44 14.641 4.057 1.897 1.00 0.00 C ATOM 0 H ALA A 44 12.785 3.155 0.107 1.00 0.00 H new ATOM 0 HA ALA A 44 12.876 3.633 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.008 4.810 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.095 3.094 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.905 4.345 0.879 1.00 0.00 H new ATOM 637 N ALA A 45 11.561 5.686 2.653 1.00 0.00 N ATOM 638 CA ALA A 45 10.866 6.962 2.530 1.00 0.00 C ATOM 639 C ALA A 45 11.851 8.126 2.530 1.00 0.00 C ATOM 640 O ALA A 45 12.585 8.330 3.495 1.00 0.00 O ATOM 641 CB ALA A 45 9.855 7.123 3.656 1.00 0.00 C ATOM 0 H ALA A 45 11.283 5.130 3.462 1.00 0.00 H new ATOM 0 HA ALA A 45 10.336 6.969 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.344 8.080 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.125 6.315 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.371 7.090 4.616 1.00 0.00 H new ATOM 702 N GLU A 50 6.268 9.521 2.744 1.00 0.00 N ATOM 703 CA GLU A 50 6.428 8.133 2.325 1.00 0.00 C ATOM 704 C GLU A 50 6.578 7.214 3.534 1.00 0.00 C ATOM 705 O GLU A 50 6.691 7.677 4.670 1.00 0.00 O ATOM 706 CB GLU A 50 7.644 7.990 1.408 1.00 0.00 C ATOM 707 CG GLU A 50 7.328 8.216 -0.061 1.00 0.00 C ATOM 708 CD GLU A 50 8.576 8.341 -0.914 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.628 7.804 -0.507 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.501 8.975 -1.987 1.00 0.00 O ATOM 0 HA GLU A 50 5.533 7.841 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.409 8.701 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.066 6.993 1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.722 7.389 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.729 9.121 -0.165 1.00 0.00 H new ATOM 717 N LEU A 51 6.577 5.910 3.282 1.00 0.00 N ATOM 718 CA LEU A 51 6.712 4.924 4.348 1.00 0.00 C ATOM 719 C LEU A 51 8.033 4.170 4.228 1.00 0.00 C ATOM 720 O LEU A 51 8.335 3.589 3.186 1.00 0.00 O ATOM 721 CB LEU A 51 5.543 3.938 4.310 1.00 0.00 C ATOM 722 CG LEU A 51 5.084 3.389 5.661 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.986 2.354 5.471 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.259 2.790 6.421 1.00 0.00 C ATOM 0 H LEU A 51 6.484 5.511 2.348 1.00 0.00 H new ATOM 0 HA LEU A 51 6.702 5.452 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.695 4.429 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.823 3.098 3.675 1.00 0.00 H new ATOM 0 HG LEU A 51 4.680 4.214 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.672 1.974 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.135 2.814 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.363 1.531 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.913 2.404 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.693 1.978 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.013 3.559 6.590 1.00 0.00 H new ATOM 736 N SER A 52 8.815 4.181 5.303 1.00 0.00 N ATOM 737 CA SER A 52 10.104 3.500 5.318 1.00 0.00 C ATOM 738 C SER A 52 9.952 2.062 5.805 1.00 0.00 C ATOM 739 O SER A 52 9.680 1.818 6.981 1.00 0.00 O ATOM 740 CB SER A 52 11.092 4.252 6.212 1.00 0.00 C ATOM 741 OG SER A 52 10.536 4.499 7.491 1.00 0.00 O ATOM 0 H SER A 52 8.578 4.654 6.175 1.00 0.00 H new ATOM 0 HA SER A 52 10.490 3.482 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.008 3.671 6.316 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.366 5.197 5.742 1.00 0.00 H new ATOM 0 HG SER A 52 10.074 3.695 7.808 1.00 0.00 H new ATOM 747 N PHE A 53 10.131 1.113 4.892 1.00 0.00 N ATOM 748 CA PHE A 53 10.013 -0.302 5.227 1.00 0.00 C ATOM 749 C PHE A 53 11.026 -1.132 4.443 1.00 0.00 C ATOM 750 O PHE A 53 11.656 -0.640 3.506 1.00 0.00 O ATOM 751 CB PHE A 53 8.596 -0.800 4.937 1.00 0.00 C ATOM 752 CG PHE A 53 8.141 -0.531 3.532 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.380 -1.452 2.524 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.474 0.642 3.217 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.963 -1.206 1.229 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.055 0.893 1.924 1.00 0.00 C ATOM 757 CZ PHE A 53 7.299 -0.033 0.929 1.00 0.00 C ATOM 0 H PHE A 53 10.358 1.298 3.915 1.00 0.00 H new ATOM 0 HA PHE A 53 10.220 -0.417 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.551 -1.873 5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.903 -0.325 5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.898 -2.372 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.279 1.369 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.157 -1.931 0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.537 1.812 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.971 0.160 -0.082 1.00 0.00 H new ATOM 767 N SER A 54 11.178 -2.393 4.835 1.00 0.00 N ATOM 768 CA SER A 54 12.117 -3.291 4.174 1.00 0.00 C ATOM 769 C SER A 54 11.377 -4.386 3.412 1.00 0.00 C ATOM 770 O SER A 54 10.151 -4.479 3.470 1.00 0.00 O ATOM 771 CB SER A 54 13.064 -3.918 5.198 1.00 0.00 C ATOM 772 OG SER A 54 14.334 -4.179 4.627 1.00 0.00 O ATOM 0 H SER A 54 10.663 -2.816 5.607 1.00 0.00 H new ATOM 0 HA SER A 54 12.699 -2.706 3.462 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.176 -3.249 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.634 -4.846 5.575 1.00 0.00 H new ATOM 0 HG SER A 54 14.921 -4.578 5.303 1.00 0.00 H new ATOM 778 N LYS A 55 12.131 -5.214 2.697 1.00 0.00 N ATOM 779 CA LYS A 55 11.549 -6.304 1.923 1.00 0.00 C ATOM 780 C LYS A 55 10.872 -7.319 2.838 1.00 0.00 C ATOM 781 O LYS A 55 11.489 -7.844 3.764 1.00 0.00 O ATOM 782 CB LYS A 55 12.628 -6.996 1.087 1.00 0.00 C ATOM 783 CG LYS A 55 12.080 -8.038 0.128 1.00 0.00 C ATOM 784 CD LYS A 55 13.166 -8.584 -0.784 1.00 0.00 C ATOM 785 CE LYS A 55 12.846 -9.996 -1.249 1.00 0.00 C ATOM 786 NZ LYS A 55 11.661 -10.027 -2.151 1.00 0.00 N ATOM 0 H LYS A 55 13.147 -5.151 2.637 1.00 0.00 H new ATOM 0 HA LYS A 55 10.796 -5.882 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.174 -6.243 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.345 -7.472 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.634 -8.856 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.286 -7.597 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.278 -7.931 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.120 -8.581 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.709 -10.412 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.660 -10.630 -0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.845 -10.675 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.829 -10.356 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.480 -9.072 -2.520 1.00 0.00 H new ATOM 800 N GLY A 56 9.599 -7.593 2.571 1.00 0.00 N ATOM 801 CA GLY A 56 8.860 -8.546 3.378 1.00 0.00 C ATOM 802 C GLY A 56 8.281 -7.919 4.631 1.00 0.00 C ATOM 803 O GLY A 56 8.168 -8.575 5.666 1.00 0.00 O ATOM 0 H GLY A 56 9.066 -7.172 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.053 -8.973 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.519 -9.368 3.658 1.00 0.00 H new ATOM 807 N GLN A 57 7.915 -6.644 4.538 1.00 0.00 N ATOM 808 CA GLN A 57 7.348 -5.928 5.674 1.00 0.00 C ATOM 809 C GLN A 57 5.835 -6.112 5.733 1.00 0.00 C ATOM 810 O GLN A 57 5.199 -6.438 4.730 1.00 0.00 O ATOM 811 CB GLN A 57 7.689 -4.439 5.588 1.00 0.00 C ATOM 812 CG GLN A 57 7.628 -3.723 6.927 1.00 0.00 C ATOM 813 CD GLN A 57 8.731 -4.156 7.872 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.452 -5.118 7.604 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.869 -3.446 8.986 1.00 0.00 N ATOM 0 H GLN A 57 8.001 -6.087 3.688 1.00 0.00 H new ATOM 0 HA GLN A 57 7.782 -6.341 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.690 -4.327 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.000 -3.956 4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.697 -2.648 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.661 -3.913 7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.249 -2.656 9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.595 -3.690 9.660 1.00 0.00 H new ATOM 824 N LEU A 58 5.264 -5.901 6.914 1.00 0.00 N ATOM 825 CA LEU A 58 3.824 -6.044 7.104 1.00 0.00 C ATOM 826 C LEU A 58 3.087 -4.793 6.637 1.00 0.00 C ATOM 827 O LEU A 58 3.039 -3.788 7.347 1.00 0.00 O ATOM 828 CB LEU A 58 3.509 -6.317 8.575 1.00 0.00 C ATOM 829 CG LEU A 58 2.128 -5.873 9.060 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.042 -6.410 8.141 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.893 -6.331 10.492 1.00 0.00 C ATOM 0 H LEU A 58 5.775 -5.630 7.754 1.00 0.00 H new ATOM 0 HA LEU A 58 3.485 -6.888 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.608 -7.388 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.263 -5.820 9.185 1.00 0.00 H new ATOM 0 HG LEU A 58 2.088 -4.784 9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.066 -6.084 8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.200 -6.032 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.080 -7.499 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.906 -6.006 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.952 -7.418 10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.653 -5.897 11.142 1.00 0.00 H new ATOM 843 N ILE A 59 2.511 -4.863 5.442 1.00 0.00 N ATOM 844 CA ILE A 59 1.773 -3.737 4.883 1.00 0.00 C ATOM 845 C ILE A 59 0.312 -4.102 4.643 1.00 0.00 C ATOM 846 O ILE A 59 0.010 -5.065 3.939 1.00 0.00 O ATOM 847 CB ILE A 59 2.395 -3.258 3.558 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.811 -2.729 3.796 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.524 -2.187 2.920 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.660 -2.689 2.544 1.00 0.00 C ATOM 0 H ILE A 59 2.541 -5.687 4.842 1.00 0.00 H new ATOM 0 HA ILE A 59 1.828 -2.930 5.613 1.00 0.00 H new ATOM 0 HB ILE A 59 2.454 -4.105 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.749 -1.725 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.304 -3.355 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.977 -1.859 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.533 -2.595 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.436 -1.338 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.650 -2.304 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.753 -3.695 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.190 -2.039 1.806 1.00 0.00 H new ATOM 862 N ASN A 60 -0.591 -3.325 5.232 1.00 0.00 N ATOM 863 CA ASN A 60 -2.021 -3.566 5.081 1.00 0.00 C ATOM 864 C ASN A 60 -2.682 -2.441 4.291 1.00 0.00 C ATOM 865 O ASN A 60 -2.996 -1.384 4.839 1.00 0.00 O ATOM 866 CB ASN A 60 -2.685 -3.699 6.453 1.00 0.00 C ATOM 867 CG ASN A 60 -2.526 -5.088 7.040 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.849 -5.942 6.468 1.00 0.00 O ATOM 869 ND2 ASN A 60 -3.153 -5.320 8.188 1.00 0.00 N ATOM 0 H ASN A 60 -0.358 -2.523 5.818 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.151 -4.498 4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.252 -2.967 7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.746 -3.464 6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.084 -6.236 8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.703 -4.582 8.627 1.00 0.00 H new ATOM 876 N VAL A 61 -2.891 -2.675 2.999 1.00 0.00 N ATOM 877 CA VAL A 61 -3.516 -1.683 2.133 1.00 0.00 C ATOM 878 C VAL A 61 -4.909 -1.316 2.633 1.00 0.00 C ATOM 879 O VAL A 61 -5.764 -2.184 2.808 1.00 0.00 O ATOM 880 CB VAL A 61 -3.620 -2.190 0.682 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.297 -1.151 -0.199 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.242 -2.543 0.142 1.00 0.00 C ATOM 0 H VAL A 61 -2.636 -3.544 2.529 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.880 -0.798 2.156 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.231 -3.093 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.362 -1.526 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.300 -0.952 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.715 -0.229 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.334 -2.899 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.605 -1.659 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.799 -3.324 0.759 1.00 0.00 H new ATOM 892 N MET A 62 -5.129 -0.026 2.861 1.00 0.00 N ATOM 893 CA MET A 62 -6.420 0.456 3.340 1.00 0.00 C ATOM 894 C MET A 62 -7.114 1.300 2.275 1.00 0.00 C ATOM 895 O MET A 62 -8.333 1.247 2.127 1.00 0.00 O ATOM 896 CB MET A 62 -6.240 1.275 4.620 1.00 0.00 C ATOM 897 CG MET A 62 -5.443 0.554 5.695 1.00 0.00 C ATOM 898 SD MET A 62 -4.513 1.687 6.746 1.00 0.00 S ATOM 899 CE MET A 62 -5.679 1.942 8.082 1.00 0.00 C ATOM 0 H MET A 62 -4.431 0.705 2.722 1.00 0.00 H new ATOM 0 HA MET A 62 -7.046 -0.410 3.557 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.740 2.212 4.375 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.222 1.533 5.018 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.122 -0.034 6.313 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.754 -0.146 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.248 2.623 8.816 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.599 2.371 7.685 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.900 0.987 8.559 1.00 0.00 H new ATOM 909 N ASN A 63 -6.328 2.077 1.538 1.00 0.00 N ATOM 910 CA ASN A 63 -6.867 2.933 0.488 1.00 0.00 C ATOM 911 C ASN A 63 -6.115 2.727 -0.823 1.00 0.00 C ATOM 912 O ASN A 63 -5.015 3.249 -1.010 1.00 0.00 O ATOM 913 CB ASN A 63 -6.789 4.402 0.908 1.00 0.00 C ATOM 914 CG ASN A 63 -8.037 4.863 1.636 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.025 5.053 2.852 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.123 5.044 0.893 1.00 0.00 N ATOM 0 H ASN A 63 -5.315 2.132 1.648 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.911 2.661 0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.922 4.547 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.637 5.022 0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.993 5.353 1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.087 4.874 -0.112 1.00 0.00 H new ATOM 923 N LYS A 64 -6.714 1.962 -1.729 1.00 0.00 N ATOM 924 CA LYS A 64 -6.103 1.687 -3.024 1.00 0.00 C ATOM 925 C LYS A 64 -6.862 2.392 -4.144 1.00 0.00 C ATOM 926 O LYS A 64 -6.995 1.859 -5.247 1.00 0.00 O ATOM 927 CB LYS A 64 -6.070 0.179 -3.286 1.00 0.00 C ATOM 928 CG LYS A 64 -7.447 -0.459 -3.337 1.00 0.00 C ATOM 929 CD LYS A 64 -7.407 -1.819 -4.014 1.00 0.00 C ATOM 930 CE LYS A 64 -7.302 -1.686 -5.526 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.579 -1.215 -6.131 1.00 0.00 N ATOM 0 H LYS A 64 -7.623 1.521 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.082 2.068 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.558 -0.006 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.483 -0.304 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.837 -0.567 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.133 0.196 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.557 -2.389 -3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.306 -2.380 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.503 -0.988 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.029 -2.649 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.544 -1.346 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.371 -1.763 -5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.715 -0.207 -5.914 1.00 0.00 H new ATOM 945 N ASP A 65 -7.355 3.591 -3.856 1.00 0.00 N ATOM 946 CA ASP A 65 -8.097 4.369 -4.840 1.00 0.00 C ATOM 947 C ASP A 65 -7.300 4.514 -6.132 1.00 0.00 C ATOM 948 O ASP A 65 -7.841 4.362 -7.227 1.00 0.00 O ATOM 949 CB ASP A 65 -8.437 5.751 -4.278 1.00 0.00 C ATOM 950 CG ASP A 65 -9.158 6.624 -5.285 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.161 6.158 -5.864 1.00 0.00 O ATOM 952 OD2 ASP A 65 -8.719 7.774 -5.496 1.00 0.00 O ATOM 0 H ASP A 65 -7.254 4.045 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.022 3.838 -5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.059 5.636 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.519 6.247 -3.962 1.00 0.00 H new ATOM 957 N ASP A 66 -6.012 4.811 -5.996 1.00 0.00 N ATOM 958 CA ASP A 66 -5.140 4.977 -7.153 1.00 0.00 C ATOM 959 C ASP A 66 -4.337 3.707 -7.415 1.00 0.00 C ATOM 960 O ASP A 66 -3.621 3.206 -6.547 1.00 0.00 O ATOM 961 CB ASP A 66 -4.192 6.159 -6.938 1.00 0.00 C ATOM 962 CG ASP A 66 -4.925 7.420 -6.525 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.875 7.815 -7.233 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.549 8.012 -5.492 1.00 0.00 O ATOM 0 H ASP A 66 -5.549 4.942 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.766 5.176 -8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.461 5.900 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.638 6.349 -7.857 1.00 0.00 H new ATOM 969 N PRO A 67 -4.458 3.172 -8.638 1.00 0.00 N ATOM 970 CA PRO A 67 -3.751 1.953 -9.043 1.00 0.00 C ATOM 971 C PRO A 67 -2.248 2.172 -9.180 1.00 0.00 C ATOM 972 O PRO A 67 -1.511 1.263 -9.561 1.00 0.00 O ATOM 973 CB PRO A 67 -4.369 1.619 -10.403 1.00 0.00 C ATOM 974 CG PRO A 67 -4.862 2.924 -10.925 1.00 0.00 C ATOM 975 CD PRO A 67 -5.293 3.716 -9.722 1.00 0.00 C ATOM 0 HA PRO A 67 -3.856 1.158 -8.305 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.633 1.176 -11.074 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.182 0.900 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.078 3.445 -11.475 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.693 2.779 -11.615 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.124 4.784 -9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.355 3.586 -9.515 1.00 0.00 H new ATOM 983 N ASP A 68 -1.801 3.383 -8.868 1.00 0.00 N ATOM 984 CA ASP A 68 -0.385 3.722 -8.955 1.00 0.00 C ATOM 985 C ASP A 68 0.273 3.664 -7.580 1.00 0.00 C ATOM 986 O ASP A 68 1.352 3.093 -7.422 1.00 0.00 O ATOM 987 CB ASP A 68 -0.208 5.115 -9.561 1.00 0.00 C ATOM 988 CG ASP A 68 -1.245 5.420 -10.624 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.503 4.538 -11.470 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.797 6.540 -10.612 1.00 0.00 O ATOM 0 H ASP A 68 -2.399 4.147 -8.552 1.00 0.00 H new ATOM 0 HA ASP A 68 0.100 2.990 -9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.272 5.863 -8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.788 5.195 -9.996 1.00 0.00 H new ATOM 995 N TRP A 69 -0.383 4.259 -6.591 1.00 0.00 N ATOM 996 CA TRP A 69 0.140 4.276 -5.229 1.00 0.00 C ATOM 997 C TRP A 69 -0.899 3.758 -4.241 1.00 0.00 C ATOM 998 O TRP A 69 -2.097 3.982 -4.411 1.00 0.00 O ATOM 999 CB TRP A 69 0.567 5.693 -4.842 1.00 0.00 C ATOM 1000 CG TRP A 69 1.952 6.041 -5.298 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.371 6.214 -6.586 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.098 6.257 -4.468 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.710 6.524 -6.607 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.179 6.557 -5.320 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.316 6.228 -3.088 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.456 6.825 -4.835 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.585 6.493 -2.609 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.642 6.789 -3.480 1.00 0.00 C ATOM 0 H TRP A 69 -1.277 4.736 -6.706 1.00 0.00 H new ATOM 0 HA TRP A 69 1.009 3.619 -5.192 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.138 6.407 -5.268 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.512 5.798 -3.759 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.743 6.121 -7.460 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.264 6.701 -7.445 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.508 6.003 -2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.272 7.053 -5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.765 6.472 -1.544 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.622 6.993 -3.074 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.433 3.064 -3.209 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.323 2.513 -2.193 1.00 0.00 C ATOM 1021 C TRP A 70 -0.912 2.977 -0.800 1.00 0.00 C ATOM 1022 O TRP A 70 0.189 3.492 -0.608 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.320 0.985 -2.257 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.011 0.440 -3.470 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.908 1.094 -4.266 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.864 -0.872 -4.022 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.327 0.268 -5.280 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.701 -0.944 -5.154 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.106 -1.993 -3.673 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.799 -2.093 -5.935 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.205 -3.132 -4.449 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.045 -3.175 -5.570 1.00 0.00 C ATOM 0 H TRP A 70 0.556 2.869 -3.053 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.331 2.876 -2.393 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.290 0.630 -2.244 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.804 0.590 -1.364 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.239 2.111 -4.119 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.996 0.517 -6.009 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.454 -1.969 -2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.447 -2.129 -6.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.625 -4.004 -4.187 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.098 -4.080 -6.157 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.803 2.791 0.168 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.532 3.192 1.543 1.00 0.00 C ATOM 1045 C GLN A 71 -1.681 2.009 2.494 1.00 0.00 C ATOM 1046 O GLN A 71 -2.724 1.358 2.532 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.474 4.322 1.963 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.201 4.853 3.361 1.00 0.00 C ATOM 1049 CD GLN A 71 -2.933 6.150 3.646 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.787 6.578 2.868 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.602 6.784 4.765 1.00 0.00 N ATOM 0 H GLN A 71 -2.719 2.365 0.025 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.503 3.549 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.387 5.141 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.502 3.964 1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.498 4.104 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.129 5.011 3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.889 6.393 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.061 7.662 5.009 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.630 1.737 3.262 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.665 0.632 4.203 1.00 0.00 C ATOM 1062 C GLY A 72 -0.094 1.006 5.557 1.00 0.00 C ATOM 1063 O GLY A 72 0.480 2.081 5.720 1.00 0.00 O ATOM 0 H GLY A 72 0.245 2.262 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.695 0.296 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.103 -0.208 3.794 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.255 0.115 6.531 1.00 0.00 N ATOM 1068 CA GLU A 73 0.247 0.359 7.878 1.00 0.00 C ATOM 1069 C GLU A 73 1.300 -0.677 8.262 1.00 0.00 C ATOM 1070 O GLU A 73 1.198 -1.847 7.892 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.903 0.332 8.887 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.647 -0.992 8.926 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.707 -1.034 10.010 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -3.600 -0.162 10.001 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -2.642 -1.940 10.867 1.00 0.00 O ATOM 0 H GLU A 73 -0.728 -0.781 6.412 1.00 0.00 H new ATOM 0 HA GLU A 73 0.711 1.345 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.509 0.547 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.607 1.128 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.115 -1.170 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.934 -1.800 9.089 1.00 0.00 H new ATOM 1082 N ILE A 74 2.310 -0.238 9.005 1.00 0.00 N ATOM 1083 CA ILE A 74 3.381 -1.126 9.440 1.00 0.00 C ATOM 1084 C ILE A 74 3.709 -0.911 10.913 1.00 0.00 C ATOM 1085 O ILE A 74 4.461 -0.004 11.266 1.00 0.00 O ATOM 1086 CB ILE A 74 4.658 -0.918 8.605 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.322 -0.904 7.112 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.676 -2.006 8.914 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.495 -0.532 6.232 1.00 0.00 C ATOM 0 H ILE A 74 2.409 0.728 9.318 1.00 0.00 H new ATOM 0 HA ILE A 74 3.024 -2.146 9.295 1.00 0.00 H new ATOM 0 HB ILE A 74 5.093 0.046 8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.958 -1.889 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.509 -0.199 6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.573 -1.845 8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.935 -1.972 9.972 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.251 -2.981 8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.184 -0.542 5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.846 0.466 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.301 -1.251 6.378 1.00 0.00 H new ATOM 1101 N ASN A 75 3.141 -1.754 11.769 1.00 0.00 N ATOM 1102 CA ASN A 75 3.374 -1.658 13.206 1.00 0.00 C ATOM 1103 C ASN A 75 2.809 -0.354 13.762 1.00 0.00 C ATOM 1104 O ASN A 75 3.508 0.400 14.438 1.00 0.00 O ATOM 1105 CB ASN A 75 4.872 -1.747 13.507 1.00 0.00 C ATOM 1106 CG ASN A 75 5.327 -3.171 13.760 1.00 0.00 C ATOM 1107 OD1 ASN A 75 4.797 -3.858 14.634 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.313 -3.622 12.994 1.00 0.00 N ATOM 0 H ASN A 75 2.516 -2.511 11.493 1.00 0.00 H new ATOM 0 HA ASN A 75 2.863 -2.491 13.689 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.433 -1.332 12.670 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.102 -1.135 14.379 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.661 -4.573 13.118 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.723 -3.018 12.282 1.00 0.00 H new ATOM 1115 N GLY A 76 1.537 -0.097 13.474 1.00 0.00 N ATOM 1116 CA GLY A 76 0.898 1.115 13.954 1.00 0.00 C ATOM 1117 C GLY A 76 1.366 2.350 13.210 1.00 0.00 C ATOM 1118 O GLY A 76 0.945 3.466 13.517 1.00 0.00 O ATOM 0 H GLY A 76 0.937 -0.706 12.917 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.183 1.019 13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.105 1.235 15.017 1.00 0.00 H new ATOM 1122 N VAL A 77 2.242 2.153 12.229 1.00 0.00 N ATOM 1123 CA VAL A 77 2.768 3.260 11.440 1.00 0.00 C ATOM 1124 C VAL A 77 2.077 3.345 10.084 1.00 0.00 C ATOM 1125 O VAL A 77 1.656 2.332 9.524 1.00 0.00 O ATOM 1126 CB VAL A 77 4.287 3.121 11.222 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.576 2.390 9.920 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.953 4.489 11.234 1.00 0.00 C ATOM 0 H VAL A 77 2.602 1.237 11.962 1.00 0.00 H new ATOM 0 HA VAL A 77 2.571 4.172 12.003 1.00 0.00 H new ATOM 0 HB VAL A 77 4.702 2.532 12.040 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.654 2.302 9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.132 1.395 9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.150 2.949 9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.026 4.373 11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.535 5.104 10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.776 4.972 12.195 1.00 0.00 H new ATOM 1138 N THR A 78 1.964 4.561 9.559 1.00 0.00 N ATOM 1139 CA THR A 78 1.324 4.780 8.268 1.00 0.00 C ATOM 1140 C THR A 78 2.213 5.606 7.346 1.00 0.00 C ATOM 1141 O THR A 78 3.025 6.409 7.805 1.00 0.00 O ATOM 1142 CB THR A 78 -0.033 5.492 8.427 1.00 0.00 C ATOM 1143 OG1 THR A 78 0.133 6.699 9.179 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.039 4.588 9.124 1.00 0.00 C ATOM 0 H THR A 78 2.308 5.410 10.008 1.00 0.00 H new ATOM 0 HA THR A 78 1.161 3.797 7.826 1.00 0.00 H new ATOM 0 HB THR A 78 -0.412 5.733 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.733 7.147 9.274 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.990 5.112 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.184 3.683 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.665 4.321 10.112 1.00 0.00 H new ATOM 1152 N GLY A 79 2.054 5.405 6.041 1.00 0.00 N ATOM 1153 CA GLY A 79 2.850 6.140 5.075 1.00 0.00 C ATOM 1154 C GLY A 79 2.329 5.988 3.660 1.00 0.00 C ATOM 1155 O GLY A 79 1.234 5.466 3.446 1.00 0.00 O ATOM 0 H GLY A 79 1.389 4.747 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.859 7.196 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.882 5.791 5.119 1.00 0.00 H new ATOM 1159 N LEU A 80 3.112 6.446 2.690 1.00 0.00 N ATOM 1160 CA LEU A 80 2.723 6.361 1.287 1.00 0.00 C ATOM 1161 C LEU A 80 3.755 5.577 0.482 1.00 0.00 C ATOM 1162 O LEU A 80 4.958 5.811 0.600 1.00 0.00 O ATOM 1163 CB LEU A 80 2.557 7.762 0.697 1.00 0.00 C ATOM 1164 CG LEU A 80 1.243 8.475 1.018 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.313 9.936 0.602 1.00 0.00 C ATOM 1166 CD2 LEU A 80 0.077 7.778 0.333 1.00 0.00 C ATOM 0 H LEU A 80 4.021 6.880 2.849 1.00 0.00 H new ATOM 0 HA LEU A 80 1.770 5.835 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.380 8.383 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.654 7.692 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 80 1.083 8.433 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.369 10.427 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.123 10.429 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.497 10.001 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.850 8.299 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.230 7.788 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.014 6.747 0.681 1.00 0.00 H new ATOM 1178 N PHE A 81 3.276 4.646 -0.337 1.00 0.00 N ATOM 1179 CA PHE A 81 4.157 3.828 -1.162 1.00 0.00 C ATOM 1180 C PHE A 81 3.456 3.401 -2.448 1.00 0.00 C ATOM 1181 O PHE A 81 2.229 3.316 -2.518 1.00 0.00 O ATOM 1182 CB PHE A 81 4.618 2.593 -0.385 1.00 0.00 C ATOM 1183 CG PHE A 81 3.488 1.808 0.217 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.579 1.146 -0.592 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.335 1.731 1.592 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.538 0.422 -0.042 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.297 1.008 2.148 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.397 0.354 1.330 1.00 0.00 C ATOM 0 H PHE A 81 2.283 4.440 -0.447 1.00 0.00 H new ATOM 0 HA PHE A 81 5.028 4.429 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.185 1.944 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.296 2.905 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.685 1.196 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.035 2.242 2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.836 -0.090 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.190 0.954 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.584 -0.210 1.763 1.00 0.00 H new ATOM 1198 N PRO A 82 4.252 3.125 -3.492 1.00 0.00 N ATOM 1199 CA PRO A 82 3.730 2.702 -4.795 1.00 0.00 C ATOM 1200 C PRO A 82 3.134 1.299 -4.753 1.00 0.00 C ATOM 1201 O PRO A 82 3.606 0.436 -4.013 1.00 0.00 O ATOM 1202 CB PRO A 82 4.965 2.732 -5.698 1.00 0.00 C ATOM 1203 CG PRO A 82 6.117 2.543 -4.772 1.00 0.00 C ATOM 1204 CD PRO A 82 5.722 3.205 -3.481 1.00 0.00 C ATOM 0 HA PRO A 82 2.919 3.345 -5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.926 1.942 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.040 3.678 -6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.326 1.484 -4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.023 2.991 -5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.146 2.690 -2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.068 4.238 -3.437 1.00 0.00 H new ATOM 1212 N SER A 83 2.096 1.078 -5.553 1.00 0.00 N ATOM 1213 CA SER A 83 1.433 -0.220 -5.605 1.00 0.00 C ATOM 1214 C SER A 83 2.241 -1.209 -6.439 1.00 0.00 C ATOM 1215 O SER A 83 1.784 -2.314 -6.726 1.00 0.00 O ATOM 1216 CB SER A 83 0.026 -0.075 -6.186 1.00 0.00 C ATOM 1217 OG SER A 83 0.074 0.292 -7.554 1.00 0.00 O ATOM 0 H SER A 83 1.696 1.781 -6.174 1.00 0.00 H new ATOM 0 HA SER A 83 1.360 -0.604 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.514 -1.015 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.527 0.677 -5.624 1.00 0.00 H new ATOM 0 HG SER A 83 -0.831 0.494 -7.870 1.00 0.00 H new ATOM 1223 N ASN A 84 3.446 -0.802 -6.826 1.00 0.00 N ATOM 1224 CA ASN A 84 4.318 -1.651 -7.629 1.00 0.00 C ATOM 1225 C ASN A 84 5.398 -2.295 -6.763 1.00 0.00 C ATOM 1226 O ASN A 84 5.987 -3.308 -7.138 1.00 0.00 O ATOM 1227 CB ASN A 84 4.966 -0.837 -8.750 1.00 0.00 C ATOM 1228 CG ASN A 84 3.959 -0.373 -9.784 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.331 -1.185 -10.464 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.800 0.940 -9.907 1.00 0.00 N ATOM 0 H ASN A 84 3.840 0.110 -6.596 1.00 0.00 H new ATOM 0 HA ASN A 84 3.710 -2.442 -8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.469 0.030 -8.322 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.732 -1.441 -9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.136 1.312 -10.586 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.342 1.576 -9.322 1.00 0.00 H new ATOM 1237 N TYR A 85 5.651 -1.698 -5.603 1.00 0.00 N ATOM 1238 CA TYR A 85 6.660 -2.212 -4.685 1.00 0.00 C ATOM 1239 C TYR A 85 6.059 -3.246 -3.737 1.00 0.00 C ATOM 1240 O TYR A 85 6.675 -3.623 -2.740 1.00 0.00 O ATOM 1241 CB TYR A 85 7.278 -1.066 -3.881 1.00 0.00 C ATOM 1242 CG TYR A 85 8.507 -0.466 -4.529 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.414 0.236 -5.724 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.760 -0.601 -3.944 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.533 0.784 -6.319 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.885 -0.055 -4.531 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.766 0.637 -5.719 1.00 0.00 C ATOM 1248 OH TYR A 85 11.883 1.183 -6.308 1.00 0.00 O ATOM 0 H TYR A 85 5.172 -0.859 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 85 7.438 -2.696 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.531 -0.284 -3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.542 -1.431 -2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.450 0.355 -6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.856 -1.142 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.443 1.325 -7.249 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.852 -0.169 -4.063 1.00 0.00 H new ATOM 0 HH TYR A 85 12.670 0.990 -5.758 1.00 0.00 H new ATOM 1258 N VAL A 86 4.852 -3.701 -4.057 1.00 0.00 N ATOM 1259 CA VAL A 86 4.167 -4.693 -3.237 1.00 0.00 C ATOM 1260 C VAL A 86 3.479 -5.742 -4.104 1.00 0.00 C ATOM 1261 O VAL A 86 3.072 -5.462 -5.231 1.00 0.00 O ATOM 1262 CB VAL A 86 3.121 -4.035 -2.318 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.767 -2.962 -1.455 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.980 -3.454 -3.140 1.00 0.00 C ATOM 0 H VAL A 86 4.328 -3.398 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 86 4.927 -5.176 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 86 2.711 -4.800 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.012 -2.509 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.546 -3.411 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.206 -2.196 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.250 -2.993 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.371 -2.702 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.500 -4.250 -3.710 1.00 0.00 H new ATOM 1274 N LYS A 87 3.351 -6.951 -3.569 1.00 0.00 N ATOM 1275 CA LYS A 87 2.710 -8.044 -4.292 1.00 0.00 C ATOM 1276 C LYS A 87 1.669 -8.736 -3.419 1.00 0.00 C ATOM 1277 O LYS A 87 1.980 -9.220 -2.331 1.00 0.00 O ATOM 1278 CB LYS A 87 3.757 -9.058 -4.757 1.00 0.00 C ATOM 1279 CG LYS A 87 3.252 -10.004 -5.833 1.00 0.00 C ATOM 1280 CD LYS A 87 4.246 -11.120 -6.106 1.00 0.00 C ATOM 1281 CE LYS A 87 3.814 -11.974 -7.288 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.769 -11.190 -8.553 1.00 0.00 N ATOM 0 H LYS A 87 3.683 -7.199 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 87 2.207 -7.625 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.627 -8.522 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.091 -9.642 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.299 -10.432 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.068 -9.447 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.229 -10.693 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.344 -11.747 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.504 -12.810 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.830 -12.398 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.757 -11.841 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.911 -10.603 -8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.608 -10.578 -8.612 1.00 0.00 H new