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 -126:sc= -2.11 (180deg=-5.14!) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= -0.161 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 43 TYR OH : rot 165:sc= -0.167 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.7) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.12 F(o=-5.8,f=-1.1) USER MOD Single : A 62 MET CE :methyl -156:sc= -0.0234 (180deg=-0.791) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= 0.289 (180deg=0) 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) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 150:sc= 0.687 USER MOD Single : A 84 ASN : amide:sc= -3.83! C(o=-3.8!,f=-4.2!) 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 -8.329 -3.173 2.887 1.00 0.00 N ATOM 468 CA VAL A 34 -8.798 -3.944 1.742 1.00 0.00 C ATOM 469 C VAL A 34 -8.159 -5.328 1.712 1.00 0.00 C ATOM 470 O VAL A 34 -8.820 -6.322 1.408 1.00 0.00 O ATOM 471 CB VAL A 34 -8.494 -3.222 0.416 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.551 -3.552 -0.627 1.00 0.00 C ATOM 473 CG2 VAL A 34 -8.403 -1.720 0.637 1.00 0.00 C ATOM 0 HA VAL A 34 -9.878 -4.047 1.852 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.531 -3.571 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.319 -3.033 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.563 -4.627 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.529 -3.233 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.188 -1.225 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.350 -1.352 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.606 -1.505 1.348 1.00 0.00 H new ATOM 483 N CYS A 35 -6.871 -5.386 2.030 1.00 0.00 N ATOM 484 CA CYS A 35 -6.142 -6.649 2.040 1.00 0.00 C ATOM 485 C CYS A 35 -4.737 -6.461 2.604 1.00 0.00 C ATOM 486 O CYS A 35 -4.379 -5.373 3.054 1.00 0.00 O ATOM 487 CB CYS A 35 -6.064 -7.228 0.627 1.00 0.00 C ATOM 488 SG CYS A 35 -5.215 -6.162 -0.562 1.00 0.00 S ATOM 0 H CYS A 35 -6.310 -4.573 2.284 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.681 -7.346 2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.552 -8.189 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.075 -7.421 0.269 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.198 -6.739 -1.727 1.00 0.00 H new ATOM 494 N GLN A 36 -3.946 -7.529 2.577 1.00 0.00 N ATOM 495 CA GLN A 36 -2.582 -7.482 3.088 1.00 0.00 C ATOM 496 C GLN A 36 -1.577 -7.804 1.987 1.00 0.00 C ATOM 497 O GLN A 36 -1.669 -8.843 1.332 1.00 0.00 O ATOM 498 CB GLN A 36 -2.415 -8.463 4.250 1.00 0.00 C ATOM 499 CG GLN A 36 -1.139 -8.250 5.048 1.00 0.00 C ATOM 500 CD GLN A 36 -0.611 -9.533 5.658 1.00 0.00 C ATOM 501 OE1 GLN A 36 -0.243 -10.468 4.945 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.571 -9.586 6.984 1.00 0.00 N ATOM 0 H GLN A 36 -4.227 -8.437 2.207 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.390 -6.470 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.271 -8.371 4.918 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.424 -9.481 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.376 -7.820 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.327 -7.526 5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.886 -8.788 7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.225 -10.425 7.451 1.00 0.00 H new ATOM 511 N VAL A 37 -0.617 -6.907 1.788 1.00 0.00 N ATOM 512 CA VAL A 37 0.406 -7.096 0.766 1.00 0.00 C ATOM 513 C VAL A 37 1.799 -7.147 1.385 1.00 0.00 C ATOM 514 O VAL A 37 1.982 -6.806 2.554 1.00 0.00 O ATOM 515 CB VAL A 37 0.365 -5.970 -0.285 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.984 -5.942 -0.985 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.668 -4.627 0.362 1.00 0.00 C ATOM 0 H VAL A 37 -0.526 -6.042 2.321 1.00 0.00 H new ATOM 0 HA VAL A 37 0.193 -8.047 0.278 1.00 0.00 H new ATOM 0 HB VAL A 37 1.131 -6.168 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.994 -5.140 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.155 -6.896 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.771 -5.769 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.635 -3.843 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.074 -4.419 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.660 -4.655 0.812 1.00 0.00 H new ATOM 527 N ILE A 38 2.776 -7.576 0.595 1.00 0.00 N ATOM 528 CA ILE A 38 4.153 -7.671 1.065 1.00 0.00 C ATOM 529 C ILE A 38 5.090 -6.842 0.193 1.00 0.00 C ATOM 530 O ILE A 38 4.949 -6.807 -1.029 1.00 0.00 O ATOM 531 CB ILE A 38 4.643 -9.131 1.082 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.740 -9.311 2.133 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.149 -9.536 -0.294 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.212 -9.699 3.497 1.00 0.00 C ATOM 0 H ILE A 38 2.640 -7.864 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 38 4.167 -7.280 2.082 1.00 0.00 H new ATOM 0 HB ILE A 38 3.805 -9.777 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.437 -10.076 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.304 -8.382 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.492 -10.570 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.342 -9.441 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.976 -8.887 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.045 -9.809 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.537 -8.924 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.673 -10.644 3.423 1.00 0.00 H new ATOM 546 N ALA A 39 6.049 -6.177 0.830 1.00 0.00 N ATOM 547 CA ALA A 39 7.012 -5.352 0.113 1.00 0.00 C ATOM 548 C ALA A 39 7.946 -6.209 -0.735 1.00 0.00 C ATOM 549 O ALA A 39 8.641 -7.083 -0.218 1.00 0.00 O ATOM 550 CB ALA A 39 7.812 -4.504 1.090 1.00 0.00 C ATOM 0 H ALA A 39 6.179 -6.194 1.842 1.00 0.00 H new ATOM 0 HA ALA A 39 6.460 -4.692 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.528 -3.893 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.136 -3.857 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.347 -5.154 1.783 1.00 0.00 H new ATOM 556 N MET A 40 7.956 -5.953 -2.039 1.00 0.00 N ATOM 557 CA MET A 40 8.805 -6.702 -2.958 1.00 0.00 C ATOM 558 C MET A 40 10.263 -6.275 -2.821 1.00 0.00 C ATOM 559 O MET A 40 11.175 -7.091 -2.960 1.00 0.00 O ATOM 560 CB MET A 40 8.336 -6.499 -4.400 1.00 0.00 C ATOM 561 CG MET A 40 6.968 -7.098 -4.684 1.00 0.00 C ATOM 562 SD MET A 40 6.666 -7.337 -6.445 1.00 0.00 S ATOM 563 CE MET A 40 6.760 -5.649 -7.037 1.00 0.00 C ATOM 0 H MET A 40 7.386 -5.233 -2.483 1.00 0.00 H new ATOM 0 HA MET A 40 8.728 -7.759 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.308 -5.431 -4.618 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.066 -6.943 -5.077 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.882 -8.056 -4.171 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.198 -6.446 -4.273 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.854 -5.407 -7.592 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.858 -4.971 -6.189 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.625 -5.540 -7.691 1.00 0.00 H new ATOM 573 N TYR A 41 10.476 -4.993 -2.546 1.00 0.00 N ATOM 574 CA TYR A 41 11.824 -4.458 -2.393 1.00 0.00 C ATOM 575 C TYR A 41 11.902 -3.511 -1.199 1.00 0.00 C ATOM 576 O TYR A 41 10.899 -2.923 -0.792 1.00 0.00 O ATOM 577 CB TYR A 41 12.253 -3.727 -3.666 1.00 0.00 C ATOM 578 CG TYR A 41 11.637 -4.293 -4.926 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.211 -5.377 -5.577 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.480 -3.743 -5.464 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.652 -5.897 -6.729 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.913 -4.256 -6.614 1.00 0.00 C ATOM 583 CZ TYR A 41 10.503 -5.333 -7.243 1.00 0.00 C ATOM 584 OH TYR A 41 9.942 -5.848 -8.389 1.00 0.00 O ATOM 0 H TYR A 41 9.733 -4.305 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 41 12.501 -5.294 -2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.982 -2.675 -3.580 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.339 -3.770 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.110 -5.821 -5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.016 -2.900 -4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.112 -6.740 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.013 -3.817 -7.019 1.00 0.00 H new ATOM 0 HH TYR A 41 10.135 -6.807 -8.445 1.00 0.00 H new ATOM 594 N ASP A 42 13.099 -3.369 -0.642 1.00 0.00 N ATOM 595 CA ASP A 42 13.310 -2.493 0.504 1.00 0.00 C ATOM 596 C ASP A 42 13.006 -1.042 0.143 1.00 0.00 C ATOM 597 O ASP A 42 13.840 -0.348 -0.438 1.00 0.00 O ATOM 598 CB ASP A 42 14.749 -2.614 1.008 1.00 0.00 C ATOM 599 CG ASP A 42 15.751 -2.730 -0.124 1.00 0.00 C ATOM 600 OD1 ASP A 42 16.072 -1.692 -0.741 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.215 -3.858 -0.392 1.00 0.00 O ATOM 0 H ASP A 42 13.939 -3.849 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 42 12.628 -2.803 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.992 -1.743 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.832 -3.488 1.654 1.00 0.00 H new ATOM 606 N TYR A 43 11.805 -0.591 0.490 1.00 0.00 N ATOM 607 CA TYR A 43 11.389 0.775 0.199 1.00 0.00 C ATOM 608 C TYR A 43 11.855 1.731 1.292 1.00 0.00 C ATOM 609 O TYR A 43 11.593 1.514 2.475 1.00 0.00 O ATOM 610 CB TYR A 43 9.868 0.848 0.056 1.00 0.00 C ATOM 611 CG TYR A 43 9.385 2.087 -0.663 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.474 3.339 -0.067 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.841 2.006 -1.939 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.034 4.474 -0.720 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.400 3.136 -2.600 1.00 0.00 C ATOM 616 CZ TYR A 43 8.498 4.367 -1.987 1.00 0.00 C ATOM 617 OH TYR A 43 8.058 5.495 -2.642 1.00 0.00 O ATOM 0 H TYR A 43 11.103 -1.152 0.973 1.00 0.00 H new ATOM 0 HA TYR A 43 11.850 1.075 -0.742 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.520 -0.033 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.416 0.815 1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.894 3.426 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.762 1.043 -2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.109 5.439 -0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.981 3.056 -3.592 1.00 0.00 H new ATOM 0 HH TYR A 43 7.935 5.294 -3.593 1.00 0.00 H new ATOM 627 N ALA A 44 12.547 2.791 0.888 1.00 0.00 N ATOM 628 CA ALA A 44 13.048 3.783 1.831 1.00 0.00 C ATOM 629 C ALA A 44 12.419 5.149 1.578 1.00 0.00 C ATOM 630 O ALA A 44 12.847 5.884 0.688 1.00 0.00 O ATOM 631 CB ALA A 44 14.564 3.874 1.747 1.00 0.00 C ATOM 0 H ALA A 44 12.774 2.985 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 44 12.770 3.465 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.924 4.619 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.001 2.904 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.856 4.164 0.738 1.00 0.00 H new ATOM 637 N ALA A 45 11.402 5.482 2.365 1.00 0.00 N ATOM 638 CA ALA A 45 10.715 6.760 2.226 1.00 0.00 C ATOM 639 C ALA A 45 11.711 7.911 2.133 1.00 0.00 C ATOM 640 O ALA A 45 12.576 8.066 2.994 1.00 0.00 O ATOM 641 CB ALA A 45 9.762 6.977 3.392 1.00 0.00 C ATOM 0 H ALA A 45 11.035 4.884 3.106 1.00 0.00 H new ATOM 0 HA ALA A 45 10.139 6.736 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.256 7.935 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.023 6.176 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.324 6.975 4.326 1.00 0.00 H new ATOM 702 N GLU A 50 6.477 9.904 3.249 1.00 0.00 N ATOM 703 CA GLU A 50 6.388 8.567 2.673 1.00 0.00 C ATOM 704 C GLU A 50 6.576 7.499 3.747 1.00 0.00 C ATOM 705 O GLU A 50 6.883 7.808 4.899 1.00 0.00 O ATOM 706 CB GLU A 50 7.436 8.390 1.573 1.00 0.00 C ATOM 707 CG GLU A 50 7.106 9.137 0.292 1.00 0.00 C ATOM 708 CD GLU A 50 8.253 9.130 -0.700 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.001 8.130 -0.733 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.404 10.123 -1.442 1.00 0.00 O ATOM 0 HA GLU A 50 5.395 8.451 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.402 8.732 1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.539 7.328 1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.228 8.687 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.846 10.168 0.534 1.00 0.00 H new ATOM 717 N LEU A 51 6.388 6.242 3.361 1.00 0.00 N ATOM 718 CA LEU A 51 6.536 5.126 4.290 1.00 0.00 C ATOM 719 C LEU A 51 7.817 4.348 4.006 1.00 0.00 C ATOM 720 O LEU A 51 8.064 3.931 2.875 1.00 0.00 O ATOM 721 CB LEU A 51 5.327 4.194 4.195 1.00 0.00 C ATOM 722 CG LEU A 51 4.878 3.541 5.503 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.776 2.527 5.242 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.058 2.881 6.202 1.00 0.00 C ATOM 0 H LEU A 51 6.133 5.970 2.412 1.00 0.00 H new ATOM 0 HA LEU A 51 6.595 5.531 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.489 4.760 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.557 3.405 3.479 1.00 0.00 H new ATOM 0 HG LEU A 51 4.482 4.317 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.469 2.073 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.922 3.027 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.146 1.753 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.720 2.421 7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.484 2.116 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.816 3.632 6.424 1.00 0.00 H new ATOM 736 N SER A 52 8.627 4.154 5.042 1.00 0.00 N ATOM 737 CA SER A 52 9.883 3.427 4.904 1.00 0.00 C ATOM 738 C SER A 52 9.760 2.016 5.473 1.00 0.00 C ATOM 739 O SER A 52 9.432 1.833 6.645 1.00 0.00 O ATOM 740 CB SER A 52 11.012 4.177 5.613 1.00 0.00 C ATOM 741 OG SER A 52 11.984 3.278 6.117 1.00 0.00 O ATOM 0 H SER A 52 8.436 4.490 5.986 1.00 0.00 H new ATOM 0 HA SER A 52 10.116 3.353 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.482 4.874 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.602 4.770 6.431 1.00 0.00 H new ATOM 0 HG SER A 52 12.695 3.782 6.564 1.00 0.00 H new ATOM 747 N PHE A 53 10.025 1.021 4.632 1.00 0.00 N ATOM 748 CA PHE A 53 9.943 -0.374 5.049 1.00 0.00 C ATOM 749 C PHE A 53 11.018 -1.211 4.363 1.00 0.00 C ATOM 750 O PHE A 53 11.729 -0.727 3.482 1.00 0.00 O ATOM 751 CB PHE A 53 8.558 -0.942 4.732 1.00 0.00 C ATOM 752 CG PHE A 53 8.087 -0.631 3.340 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.397 -1.475 2.285 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.334 0.504 3.086 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.966 -1.191 1.003 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.900 0.793 1.806 1.00 0.00 C ATOM 757 CZ PHE A 53 7.215 -0.056 0.764 1.00 0.00 C ATOM 0 H PHE A 53 10.298 1.155 3.658 1.00 0.00 H new ATOM 0 HA PHE A 53 10.108 -0.416 6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.578 -2.023 4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.838 -0.544 5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.982 -2.364 2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.083 1.171 3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.216 -1.855 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.315 1.682 1.621 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.875 0.167 -0.237 1.00 0.00 H new ATOM 767 N SER A 54 11.132 -2.470 4.774 1.00 0.00 N ATOM 768 CA SER A 54 12.123 -3.374 4.203 1.00 0.00 C ATOM 769 C SER A 54 11.449 -4.573 3.544 1.00 0.00 C ATOM 770 O SER A 54 10.459 -5.101 4.052 1.00 0.00 O ATOM 771 CB SER A 54 13.094 -3.850 5.285 1.00 0.00 C ATOM 772 OG SER A 54 13.598 -2.758 6.035 1.00 0.00 O ATOM 0 H SER A 54 10.550 -2.887 5.501 1.00 0.00 H new ATOM 0 HA SER A 54 12.680 -2.829 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.587 -4.549 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.920 -4.391 4.824 1.00 0.00 H new ATOM 0 HG SER A 54 14.215 -3.089 6.721 1.00 0.00 H new ATOM 778 N LYS A 55 11.992 -5.000 2.409 1.00 0.00 N ATOM 779 CA LYS A 55 11.446 -6.138 1.680 1.00 0.00 C ATOM 780 C LYS A 55 10.871 -7.175 2.639 1.00 0.00 C ATOM 781 O LYS A 55 11.577 -7.697 3.501 1.00 0.00 O ATOM 782 CB LYS A 55 12.529 -6.779 0.809 1.00 0.00 C ATOM 783 CG LYS A 55 12.108 -8.101 0.189 1.00 0.00 C ATOM 784 CD LYS A 55 13.216 -8.693 -0.666 1.00 0.00 C ATOM 785 CE LYS A 55 12.963 -10.163 -0.965 1.00 0.00 C ATOM 786 NZ LYS A 55 11.835 -10.349 -1.920 1.00 0.00 N ATOM 0 H LYS A 55 12.811 -4.574 1.974 1.00 0.00 H new ATOM 0 HA LYS A 55 10.641 -5.775 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.802 -6.085 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.422 -6.939 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.840 -8.805 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.217 -7.951 -0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.292 -8.138 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.171 -8.584 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.867 -10.610 -1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.743 -10.690 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.694 -11.364 -2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.967 -9.945 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.055 -9.868 -2.815 1.00 0.00 H new ATOM 800 N GLY A 56 9.584 -7.469 2.483 1.00 0.00 N ATOM 801 CA GLY A 56 8.936 -8.443 3.342 1.00 0.00 C ATOM 802 C GLY A 56 8.382 -7.822 4.609 1.00 0.00 C ATOM 803 O GLY A 56 8.331 -8.470 5.654 1.00 0.00 O ATOM 0 H GLY A 56 8.978 -7.050 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.127 -8.925 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.651 -9.223 3.606 1.00 0.00 H new ATOM 807 N GLN A 57 7.969 -6.562 4.517 1.00 0.00 N ATOM 808 CA GLN A 57 7.419 -5.853 5.666 1.00 0.00 C ATOM 809 C GLN A 57 5.905 -6.021 5.736 1.00 0.00 C ATOM 810 O GLN A 57 5.255 -6.309 4.730 1.00 0.00 O ATOM 811 CB GLN A 57 7.776 -4.367 5.593 1.00 0.00 C ATOM 812 CG GLN A 57 7.756 -3.670 6.944 1.00 0.00 C ATOM 813 CD GLN A 57 8.963 -4.012 7.795 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.775 -4.863 7.429 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.089 -3.349 8.939 1.00 0.00 N ATOM 0 H GLN A 57 8.005 -6.012 3.659 1.00 0.00 H new ATOM 0 HA GLN A 57 7.856 -6.281 6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.768 -4.261 5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.076 -3.866 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.718 -2.591 6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.848 -3.949 7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.393 -2.652 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.882 -3.537 9.553 1.00 0.00 H new ATOM 824 N LEU A 58 5.349 -5.840 6.928 1.00 0.00 N ATOM 825 CA LEU A 58 3.910 -5.972 7.130 1.00 0.00 C ATOM 826 C LEU A 58 3.177 -4.719 6.663 1.00 0.00 C ATOM 827 O LEU A 58 3.199 -3.688 7.336 1.00 0.00 O ATOM 828 CB LEU A 58 3.604 -6.236 8.605 1.00 0.00 C ATOM 829 CG LEU A 58 2.255 -5.725 9.112 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.125 -6.245 8.237 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.040 -6.135 10.562 1.00 0.00 C ATOM 0 H LEU A 58 5.873 -5.601 7.770 1.00 0.00 H new ATOM 0 HA LEU A 58 3.561 -6.817 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.651 -7.311 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.391 -5.781 9.206 1.00 0.00 H new ATOM 0 HG LEU A 58 2.257 -4.636 9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.172 -5.871 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.271 -5.902 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.121 -7.335 8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.075 -5.763 10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.058 -7.222 10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.833 -5.714 11.180 1.00 0.00 H new ATOM 843 N ILE A 59 2.529 -4.815 5.507 1.00 0.00 N ATOM 844 CA ILE A 59 1.787 -3.690 4.952 1.00 0.00 C ATOM 845 C ILE A 59 0.363 -4.096 4.586 1.00 0.00 C ATOM 846 O ILE A 59 0.153 -5.037 3.822 1.00 0.00 O ATOM 847 CB ILE A 59 2.482 -3.118 3.703 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.807 -2.456 4.087 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.572 -2.123 2.999 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.757 -2.284 2.923 1.00 0.00 C ATOM 0 H ILE A 59 2.503 -5.660 4.937 1.00 0.00 H new ATOM 0 HA ILE A 59 1.756 -2.922 5.725 1.00 0.00 H new ATOM 0 HB ILE A 59 2.693 -3.938 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.602 -1.479 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.293 -3.055 4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.078 -1.728 2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.652 -2.623 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.333 -1.305 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.675 -1.809 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.992 -3.260 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.290 -1.659 2.161 1.00 0.00 H new ATOM 862 N ASN A 60 -0.611 -3.380 5.137 1.00 0.00 N ATOM 863 CA ASN A 60 -2.016 -3.666 4.868 1.00 0.00 C ATOM 864 C ASN A 60 -2.674 -2.507 4.125 1.00 0.00 C ATOM 865 O ASN A 60 -2.957 -1.461 4.710 1.00 0.00 O ATOM 866 CB ASN A 60 -2.762 -3.938 6.176 1.00 0.00 C ATOM 867 CG ASN A 60 -3.921 -4.899 5.991 1.00 0.00 C ATOM 868 OD1 ASN A 60 -3.621 -6.102 5.515 1.00 0.00 O flip ATOM 869 ND2 ASN A 60 -5.071 -4.563 6.273 1.00 0.00 N flip ATOM 0 H ASN A 60 -0.454 -2.598 5.772 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.067 -4.554 4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.067 -4.348 6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.135 -2.997 6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.255 -3.628 6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.840 -5.220 6.144 1.00 0.00 H new ATOM 876 N VAL A 61 -2.915 -2.700 2.832 1.00 0.00 N ATOM 877 CA VAL A 61 -3.541 -1.672 2.010 1.00 0.00 C ATOM 878 C VAL A 61 -4.948 -1.354 2.504 1.00 0.00 C ATOM 879 O VAL A 61 -5.763 -2.254 2.709 1.00 0.00 O ATOM 880 CB VAL A 61 -3.613 -2.103 0.532 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.197 -0.987 -0.321 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.236 -2.506 0.028 1.00 0.00 C ATOM 0 H VAL A 61 -2.686 -3.559 2.332 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.920 -0.780 2.092 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.271 -2.969 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.240 -1.309 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.202 -0.750 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.567 -0.101 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.305 -2.808 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.554 -1.660 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.861 -3.339 0.622 1.00 0.00 H new ATOM 892 N MET A 62 -5.227 -0.069 2.692 1.00 0.00 N ATOM 893 CA MET A 62 -6.537 0.369 3.161 1.00 0.00 C ATOM 894 C MET A 62 -7.181 1.323 2.161 1.00 0.00 C ATOM 895 O MET A 62 -8.398 1.322 1.983 1.00 0.00 O ATOM 896 CB MET A 62 -6.413 1.048 4.526 1.00 0.00 C ATOM 897 CG MET A 62 -5.403 0.383 5.446 1.00 0.00 C ATOM 898 SD MET A 62 -5.836 0.550 7.189 1.00 0.00 S ATOM 899 CE MET A 62 -6.365 2.260 7.244 1.00 0.00 C ATOM 0 H MET A 62 -4.564 0.688 2.527 1.00 0.00 H new ATOM 0 HA MET A 62 -7.173 -0.511 3.258 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.128 2.090 4.380 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.389 1.050 5.012 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.329 -0.675 5.194 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.419 0.821 5.276 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.257 2.642 8.259 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.751 2.853 6.566 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.410 2.328 6.940 1.00 0.00 H new ATOM 909 N ASN A 63 -6.356 2.138 1.511 1.00 0.00 N ATOM 910 CA ASN A 63 -6.846 3.099 0.529 1.00 0.00 C ATOM 911 C ASN A 63 -6.054 3.001 -0.771 1.00 0.00 C ATOM 912 O ASN A 63 -5.016 3.643 -0.928 1.00 0.00 O ATOM 913 CB ASN A 63 -6.757 4.521 1.088 1.00 0.00 C ATOM 914 CG ASN A 63 -7.790 5.447 0.478 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.492 6.208 -0.444 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.014 5.388 0.991 1.00 0.00 N ATOM 0 H ASN A 63 -5.345 2.152 1.647 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.889 2.864 0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.892 4.493 2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.760 4.920 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.751 5.988 0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.216 4.743 1.754 1.00 0.00 H new ATOM 923 N LYS A 64 -6.552 2.192 -1.701 1.00 0.00 N ATOM 924 CA LYS A 64 -5.893 2.010 -2.989 1.00 0.00 C ATOM 925 C LYS A 64 -6.726 2.612 -4.116 1.00 0.00 C ATOM 926 O LYS A 64 -6.805 2.052 -5.209 1.00 0.00 O ATOM 927 CB LYS A 64 -5.653 0.523 -3.256 1.00 0.00 C ATOM 928 CG LYS A 64 -6.928 -0.302 -3.292 1.00 0.00 C ATOM 929 CD LYS A 64 -6.645 -1.752 -3.647 1.00 0.00 C ATOM 930 CE LYS A 64 -6.210 -1.896 -5.098 1.00 0.00 C ATOM 931 NZ LYS A 64 -5.938 -3.315 -5.458 1.00 0.00 N ATOM 0 H LYS A 64 -7.410 1.652 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.934 2.526 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.132 0.413 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.995 0.125 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.421 -0.254 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.617 0.124 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.866 -2.143 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.539 -2.351 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.987 -1.498 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.314 -1.300 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.940 -3.418 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.137 -3.925 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.546 -3.594 -6.254 1.00 0.00 H new ATOM 945 N ASP A 65 -7.345 3.756 -3.842 1.00 0.00 N ATOM 946 CA ASP A 65 -8.170 4.435 -4.834 1.00 0.00 C ATOM 947 C ASP A 65 -7.423 4.578 -6.157 1.00 0.00 C ATOM 948 O ASP A 65 -8.035 4.651 -7.222 1.00 0.00 O ATOM 949 CB ASP A 65 -8.592 5.813 -4.321 1.00 0.00 C ATOM 950 CG ASP A 65 -9.927 6.257 -4.885 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.097 6.200 -6.121 1.00 0.00 O ATOM 952 OD2 ASP A 65 -10.801 6.661 -4.091 1.00 0.00 O ATOM 0 H ASP A 65 -7.291 4.232 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.061 3.831 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.650 5.790 -3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.828 6.545 -4.584 1.00 0.00 H new ATOM 957 N ASP A 66 -6.097 4.618 -6.080 1.00 0.00 N ATOM 958 CA ASP A 66 -5.266 4.753 -7.270 1.00 0.00 C ATOM 959 C ASP A 66 -4.405 3.510 -7.475 1.00 0.00 C ATOM 960 O ASP A 66 -3.678 3.074 -6.582 1.00 0.00 O ATOM 961 CB ASP A 66 -4.376 5.992 -7.160 1.00 0.00 C ATOM 962 CG ASP A 66 -5.176 7.261 -6.936 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.266 7.176 -6.334 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.711 8.338 -7.364 1.00 0.00 O ATOM 0 H ASP A 66 -5.575 4.559 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.924 4.864 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.673 5.859 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.786 6.094 -8.071 1.00 0.00 H new ATOM 969 N PRO A 67 -4.488 2.924 -8.679 1.00 0.00 N ATOM 970 CA PRO A 67 -3.724 1.723 -9.029 1.00 0.00 C ATOM 971 C PRO A 67 -2.231 2.004 -9.160 1.00 0.00 C ATOM 972 O PRO A 67 -1.450 1.113 -9.496 1.00 0.00 O ATOM 973 CB PRO A 67 -4.311 1.311 -10.381 1.00 0.00 C ATOM 974 CG PRO A 67 -4.855 2.572 -10.959 1.00 0.00 C ATOM 975 CD PRO A 67 -5.334 3.389 -9.791 1.00 0.00 C ATOM 0 HA PRO A 67 -3.802 0.952 -8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.549 0.876 -11.027 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.093 0.561 -10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.089 3.106 -11.521 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.671 2.364 -11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.211 4.457 -9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.392 3.220 -9.589 1.00 0.00 H new ATOM 983 N ASP A 68 -1.841 3.245 -8.893 1.00 0.00 N ATOM 984 CA ASP A 68 -0.441 3.642 -8.980 1.00 0.00 C ATOM 985 C ASP A 68 0.207 3.656 -7.598 1.00 0.00 C ATOM 986 O ASP A 68 1.328 3.180 -7.424 1.00 0.00 O ATOM 987 CB ASP A 68 -0.319 5.023 -9.627 1.00 0.00 C ATOM 988 CG ASP A 68 -1.385 5.266 -10.677 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.845 4.282 -11.294 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.760 6.440 -10.883 1.00 0.00 O ATOM 0 H ASP A 68 -2.475 3.994 -8.614 1.00 0.00 H new ATOM 0 HA ASP A 68 0.080 2.912 -9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.391 5.790 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.666 5.122 -10.084 1.00 0.00 H new ATOM 995 N TRP A 69 -0.507 4.205 -6.622 1.00 0.00 N ATOM 996 CA TRP A 69 -0.001 4.281 -5.256 1.00 0.00 C ATOM 997 C TRP A 69 -1.043 3.782 -4.261 1.00 0.00 C ATOM 998 O TRP A 69 -2.230 4.080 -4.390 1.00 0.00 O ATOM 999 CB TRP A 69 0.398 5.718 -4.918 1.00 0.00 C ATOM 1000 CG TRP A 69 1.784 6.072 -5.368 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.209 6.242 -6.654 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.925 6.296 -4.532 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.546 6.559 -6.669 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.008 6.598 -5.380 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.136 6.272 -3.151 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.282 6.873 -4.890 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.401 6.545 -2.666 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.461 6.843 -3.534 1.00 0.00 C ATOM 0 H TRP A 69 -1.437 4.604 -6.751 1.00 0.00 H new ATOM 0 HA TRP A 69 0.878 3.641 -5.184 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.312 6.403 -5.381 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.325 5.864 -3.840 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.586 6.142 -7.531 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.104 6.736 -7.504 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.325 6.044 -2.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.100 7.102 -5.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.576 6.529 -1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.438 7.053 -3.124 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.591 3.022 -3.270 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.486 2.482 -2.252 1.00 0.00 C ATOM 1021 C TRP A 70 -1.076 2.953 -0.862 1.00 0.00 C ATOM 1022 O TRP A 70 0.045 3.420 -0.661 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.489 0.954 -2.306 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.111 0.405 -3.555 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.912 1.076 -4.435 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.985 -0.929 -4.060 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.291 0.239 -5.457 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.735 -0.996 -5.251 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.310 -2.072 -3.624 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.827 -2.161 -6.007 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.403 -3.228 -4.376 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.157 -3.265 -5.557 1.00 0.00 C ATOM 0 H TRP A 70 0.389 2.766 -3.149 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.492 2.848 -2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.463 0.593 -2.230 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.027 0.568 -1.440 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.204 2.111 -4.341 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.890 0.496 -6.242 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.726 -2.053 -2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.407 -2.192 -6.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.886 -4.118 -4.048 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.210 -4.183 -6.123 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.990 2.827 0.095 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.722 3.241 1.467 1.00 0.00 C ATOM 1045 C GLN A 71 -1.859 2.064 2.427 1.00 0.00 C ATOM 1046 O GLN A 71 -2.887 1.388 2.454 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.674 4.364 1.879 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.478 4.835 3.311 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.272 6.086 3.629 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.207 6.441 2.911 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.902 6.764 4.709 1.00 0.00 N ATOM 0 H GLN A 71 -2.922 2.442 -0.055 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.697 3.608 1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.537 5.210 1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.701 4.021 1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.773 4.039 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.419 5.028 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.121 6.434 5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.399 7.615 4.972 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.815 1.824 3.215 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.840 0.728 4.166 1.00 0.00 C ATOM 1062 C GLY A 72 -0.281 1.122 5.519 1.00 0.00 C ATOM 1063 O GLY A 72 0.195 2.242 5.699 1.00 0.00 O ATOM 0 H GLY A 72 0.047 2.369 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.866 0.380 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.265 -0.108 3.768 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.340 0.198 6.473 1.00 0.00 N ATOM 1068 CA GLU A 73 0.163 0.456 7.818 1.00 0.00 C ATOM 1069 C GLU A 73 1.247 -0.548 8.195 1.00 0.00 C ATOM 1070 O GLU A 73 1.172 -1.724 7.836 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.980 0.396 8.834 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.680 -0.952 8.883 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.920 -0.933 9.756 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -3.734 0.002 9.611 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -3.075 -1.856 10.584 1.00 0.00 O ATOM 0 H GLU A 73 -0.731 -0.735 6.340 1.00 0.00 H new ATOM 0 HA GLU A 73 0.598 1.455 7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.588 0.628 9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.711 1.167 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.956 -1.251 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.987 -1.704 9.259 1.00 0.00 H new ATOM 1082 N ILE A 74 2.255 -0.077 8.922 1.00 0.00 N ATOM 1083 CA ILE A 74 3.355 -0.933 9.349 1.00 0.00 C ATOM 1084 C ILE A 74 3.696 -0.699 10.816 1.00 0.00 C ATOM 1085 O ILE A 74 4.388 0.260 11.157 1.00 0.00 O ATOM 1086 CB ILE A 74 4.615 -0.698 8.496 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.263 -0.725 7.007 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.673 -1.744 8.814 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.407 -0.312 6.108 1.00 0.00 C ATOM 0 H ILE A 74 2.332 0.893 9.228 1.00 0.00 H new ATOM 0 HA ILE A 74 3.024 -1.963 9.216 1.00 0.00 H new ATOM 0 HB ILE A 74 5.020 0.285 8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.943 -1.731 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.415 -0.063 6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.558 -1.564 8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.942 -1.681 9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.279 -2.737 8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.086 -0.355 5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.712 0.705 6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.249 -0.989 6.256 1.00 0.00 H new ATOM 1101 N ASN A 75 3.208 -1.582 11.680 1.00 0.00 N ATOM 1102 CA ASN A 75 3.463 -1.472 13.112 1.00 0.00 C ATOM 1103 C ASN A 75 2.830 -0.206 13.682 1.00 0.00 C ATOM 1104 O ASN A 75 3.480 0.560 14.392 1.00 0.00 O ATOM 1105 CB ASN A 75 4.969 -1.471 13.385 1.00 0.00 C ATOM 1106 CG ASN A 75 5.516 -2.866 13.614 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.994 -3.187 14.702 1.00 0.00 O ATOM 1108 ND2 ASN A 75 5.449 -3.704 12.585 1.00 0.00 N ATOM 0 H ASN A 75 2.634 -2.382 11.414 1.00 0.00 H new ATOM 0 HA ASN A 75 3.012 -2.335 13.603 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.488 -1.014 12.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.177 -0.854 14.259 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.802 -4.656 12.679 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.044 -3.395 11.701 1.00 0.00 H new ATOM 1115 N GLY A 76 1.557 0.006 13.365 1.00 0.00 N ATOM 1116 CA GLY A 76 0.857 1.180 13.853 1.00 0.00 C ATOM 1117 C GLY A 76 1.269 2.445 13.126 1.00 0.00 C ATOM 1118 O GLY A 76 0.808 3.538 13.457 1.00 0.00 O ATOM 0 H GLY A 76 0.998 -0.614 12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.217 1.032 13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.051 1.298 14.919 1.00 0.00 H new ATOM 1122 N VAL A 77 2.140 2.298 12.134 1.00 0.00 N ATOM 1123 CA VAL A 77 2.615 3.438 11.358 1.00 0.00 C ATOM 1124 C VAL A 77 1.921 3.509 10.003 1.00 0.00 C ATOM 1125 O VAL A 77 1.550 2.484 9.428 1.00 0.00 O ATOM 1126 CB VAL A 77 4.138 3.373 11.140 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.461 2.649 9.841 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.737 4.771 11.143 1.00 0.00 C ATOM 0 H VAL A 77 2.532 1.401 11.848 1.00 0.00 H new ATOM 0 HA VAL A 77 2.375 4.333 11.932 1.00 0.00 H new ATOM 0 HB VAL A 77 4.581 2.811 11.962 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.542 2.613 9.704 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.066 1.634 9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.007 3.181 9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.814 4.706 10.988 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.290 5.360 10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.537 5.250 12.101 1.00 0.00 H new ATOM 1138 N THR A 78 1.747 4.725 9.495 1.00 0.00 N ATOM 1139 CA THR A 78 1.096 4.930 8.208 1.00 0.00 C ATOM 1140 C THR A 78 1.942 5.815 7.299 1.00 0.00 C ATOM 1141 O THR A 78 2.673 6.685 7.769 1.00 0.00 O ATOM 1142 CB THR A 78 -0.295 5.569 8.376 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.198 6.748 9.184 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.267 4.589 9.016 1.00 0.00 C ATOM 0 H THR A 78 2.048 5.583 9.956 1.00 0.00 H new ATOM 0 HA THR A 78 0.983 3.947 7.752 1.00 0.00 H new ATOM 0 HB THR A 78 -0.670 5.835 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.086 7.150 9.285 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.243 5.063 9.125 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.361 3.705 8.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.895 4.296 9.998 1.00 0.00 H new ATOM 1152 N GLY A 79 1.837 5.586 5.993 1.00 0.00 N ATOM 1153 CA GLY A 79 2.598 6.371 5.039 1.00 0.00 C ATOM 1154 C GLY A 79 2.077 6.228 3.623 1.00 0.00 C ATOM 1155 O GLY A 79 0.909 5.896 3.414 1.00 0.00 O ATOM 0 H GLY A 79 1.239 4.871 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.566 7.421 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.643 6.063 5.071 1.00 0.00 H new ATOM 1159 N LEU A 80 2.942 6.481 2.647 1.00 0.00 N ATOM 1160 CA LEU A 80 2.561 6.380 1.243 1.00 0.00 C ATOM 1161 C LEU A 80 3.604 5.597 0.451 1.00 0.00 C ATOM 1162 O LEU A 80 4.807 5.767 0.651 1.00 0.00 O ATOM 1163 CB LEU A 80 2.388 7.775 0.639 1.00 0.00 C ATOM 1164 CG LEU A 80 1.116 8.524 1.037 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.154 9.953 0.518 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.116 7.798 0.516 1.00 0.00 C ATOM 0 H LEU A 80 3.911 6.757 2.802 1.00 0.00 H new ATOM 0 HA LEU A 80 1.612 5.846 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.247 8.382 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.408 7.684 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 80 1.061 8.555 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.241 10.471 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.016 10.470 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.233 9.943 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.012 8.345 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.068 7.735 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.151 6.793 0.937 1.00 0.00 H new ATOM 1178 N PHE A 81 3.135 4.741 -0.451 1.00 0.00 N ATOM 1179 CA PHE A 81 4.027 3.933 -1.274 1.00 0.00 C ATOM 1180 C PHE A 81 3.330 3.488 -2.556 1.00 0.00 C ATOM 1181 O PHE A 81 2.104 3.386 -2.623 1.00 0.00 O ATOM 1182 CB PHE A 81 4.510 2.710 -0.491 1.00 0.00 C ATOM 1183 CG PHE A 81 3.396 1.923 0.137 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.463 1.268 -0.650 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.282 1.838 1.516 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.437 0.542 -0.074 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.259 1.114 2.097 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.335 0.466 1.301 1.00 0.00 C ATOM 0 H PHE A 81 2.142 4.589 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 81 4.887 4.546 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.072 2.059 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.198 3.036 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.538 1.325 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.001 2.344 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.716 0.035 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.182 1.055 3.173 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.534 -0.099 1.753 1.00 0.00 H new ATOM 1198 N PRO A 82 4.127 3.216 -3.599 1.00 0.00 N ATOM 1199 CA PRO A 82 3.609 2.777 -4.899 1.00 0.00 C ATOM 1200 C PRO A 82 3.033 1.366 -4.846 1.00 0.00 C ATOM 1201 O PRO A 82 3.539 0.505 -4.127 1.00 0.00 O ATOM 1202 CB PRO A 82 4.843 2.818 -5.804 1.00 0.00 C ATOM 1203 CG PRO A 82 5.998 2.651 -4.879 1.00 0.00 C ATOM 1204 CD PRO A 82 5.596 3.316 -3.591 1.00 0.00 C ATOM 0 HA PRO A 82 2.789 3.406 -5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.814 2.023 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.904 3.761 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.222 1.596 -4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.897 3.109 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.028 2.812 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.928 4.354 -3.554 1.00 0.00 H new ATOM 1212 N SER A 83 1.972 1.136 -5.614 1.00 0.00 N ATOM 1213 CA SER A 83 1.325 -0.170 -5.652 1.00 0.00 C ATOM 1214 C SER A 83 2.132 -1.151 -6.496 1.00 0.00 C ATOM 1215 O SER A 83 1.684 -2.263 -6.774 1.00 0.00 O ATOM 1216 CB SER A 83 -0.093 -0.044 -6.212 1.00 0.00 C ATOM 1217 OG SER A 83 -0.084 0.574 -7.487 1.00 0.00 O ATOM 0 H SER A 83 1.543 1.837 -6.218 1.00 0.00 H new ATOM 0 HA SER A 83 1.273 -0.552 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.547 -1.032 -6.286 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.708 0.539 -5.526 1.00 0.00 H new ATOM 0 HG SER A 83 -0.839 0.243 -8.016 1.00 0.00 H new ATOM 1223 N ASN A 84 3.326 -0.731 -6.902 1.00 0.00 N ATOM 1224 CA ASN A 84 4.197 -1.572 -7.715 1.00 0.00 C ATOM 1225 C ASN A 84 5.328 -2.157 -6.875 1.00 0.00 C ATOM 1226 O ASN A 84 6.060 -3.037 -7.328 1.00 0.00 O ATOM 1227 CB ASN A 84 4.776 -0.766 -8.880 1.00 0.00 C ATOM 1228 CG ASN A 84 4.972 0.696 -8.530 1.00 0.00 C ATOM 1229 OD1 ASN A 84 4.023 1.481 -8.540 1.00 0.00 O ATOM 1230 ND2 ASN A 84 6.208 1.070 -8.219 1.00 0.00 N ATOM 0 H ASN A 84 3.712 0.187 -6.681 1.00 0.00 H new ATOM 0 HA ASN A 84 3.600 -2.394 -8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.732 -1.197 -9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.110 -0.845 -9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.401 2.042 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.964 0.386 -8.224 1.00 0.00 H new ATOM 1237 N TYR A 85 5.465 -1.662 -5.650 1.00 0.00 N ATOM 1238 CA TYR A 85 6.507 -2.133 -4.747 1.00 0.00 C ATOM 1239 C TYR A 85 5.953 -3.160 -3.764 1.00 0.00 C ATOM 1240 O TYR A 85 6.650 -3.602 -2.851 1.00 0.00 O ATOM 1241 CB TYR A 85 7.120 -0.958 -3.983 1.00 0.00 C ATOM 1242 CG TYR A 85 8.310 -0.338 -4.679 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.150 0.413 -5.836 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.596 -0.503 -4.178 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.235 0.981 -6.476 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.687 0.062 -4.810 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.501 0.803 -5.958 1.00 0.00 C ATOM 1248 OH TYR A 85 11.584 1.367 -6.592 1.00 0.00 O ATOM 0 H TYR A 85 4.867 -0.934 -5.260 1.00 0.00 H new ATOM 0 HA TYR A 85 7.282 -2.611 -5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.357 -0.194 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.425 -1.298 -2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.160 0.556 -6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.745 -1.083 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.093 1.561 -7.376 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.680 -0.076 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 85 12.402 1.148 -6.099 1.00 0.00 H new ATOM 1258 N VAL A 86 4.693 -3.536 -3.958 1.00 0.00 N ATOM 1259 CA VAL A 86 4.043 -4.511 -3.091 1.00 0.00 C ATOM 1260 C VAL A 86 3.392 -5.623 -3.906 1.00 0.00 C ATOM 1261 O VAL A 86 2.795 -5.372 -4.953 1.00 0.00 O ATOM 1262 CB VAL A 86 2.975 -3.848 -2.201 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.590 -2.732 -1.370 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.827 -3.322 -3.049 1.00 0.00 C ATOM 0 H VAL A 86 4.102 -3.180 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 86 4.820 -4.937 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 86 2.578 -4.600 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.820 -2.275 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.375 -3.142 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.016 -1.978 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.082 -2.857 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.206 -2.584 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.370 -4.147 -3.595 1.00 0.00 H new ATOM 1274 N LYS A 87 3.509 -6.853 -3.418 1.00 0.00 N ATOM 1275 CA LYS A 87 2.930 -8.005 -4.099 1.00 0.00 C ATOM 1276 C LYS A 87 1.916 -8.712 -3.206 1.00 0.00 C ATOM 1277 O LYS A 87 2.224 -9.080 -2.072 1.00 0.00 O ATOM 1278 CB LYS A 87 4.031 -8.985 -4.514 1.00 0.00 C ATOM 1279 CG LYS A 87 3.502 -10.265 -5.137 1.00 0.00 C ATOM 1280 CD LYS A 87 4.566 -10.959 -5.972 1.00 0.00 C ATOM 1281 CE LYS A 87 5.394 -11.919 -5.132 1.00 0.00 C ATOM 1282 NZ LYS A 87 6.485 -12.550 -5.925 1.00 0.00 N ATOM 0 H LYS A 87 4.000 -7.078 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 87 2.415 -7.647 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.695 -8.493 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.630 -9.237 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.158 -10.938 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.639 -10.037 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.092 -11.504 -6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.219 -10.213 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.823 -11.383 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.747 -12.695 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.026 -13.197 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.074 -13.082 -6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.117 -11.812 -6.294 1.00 0.00 H new