USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 MET CE :methyl -132:sc= -1.97 (180deg=-3.19) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= 0 USER MOD Single : A 35 CYS SG : rot 33:sc= 0.442 USER MOD Single : A 36 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.5!) USER MOD Single : A 43 TYR OH : rot -100:sc= 0.367 USER MOD Single : A 52 SER OG : rot 31:sc= 0.602 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= -0.0212 (180deg=-0.185) USER MOD Single : A 57 GLN : amide:sc= -0.0939 K(o=-0.094,f=-1.9) USER MOD Single : A 60 ASN : amide:sc= -3.48! C(o=-3.5!,f=-10!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0338 F(o=-1.1,f=-0.034) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0763 K(o=-0.076,f=-1.6!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -171:sc= 0.451 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 467 N VAL A 34 -8.292 -2.896 3.567 1.00 0.00 N ATOM 468 CA VAL A 34 -9.043 -3.571 2.515 1.00 0.00 C ATOM 469 C VAL A 34 -8.384 -4.891 2.130 1.00 0.00 C ATOM 470 O VAL A 34 -9.062 -5.851 1.762 1.00 0.00 O ATOM 471 CB VAL A 34 -9.169 -2.688 1.259 1.00 0.00 C ATOM 472 CG1 VAL A 34 -10.165 -1.563 1.496 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.810 -2.132 0.861 1.00 0.00 C ATOM 0 HA VAL A 34 -10.038 -3.767 2.913 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.539 -3.303 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.241 -0.949 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.142 -1.985 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.826 -0.947 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.917 -1.511 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.409 -1.531 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.128 -2.955 0.648 1.00 0.00 H new ATOM 483 N CYS A 35 -7.059 -4.932 2.217 1.00 0.00 N ATOM 484 CA CYS A 35 -6.307 -6.135 1.878 1.00 0.00 C ATOM 485 C CYS A 35 -4.936 -6.126 2.547 1.00 0.00 C ATOM 486 O CYS A 35 -4.585 -5.179 3.250 1.00 0.00 O ATOM 487 CB CYS A 35 -6.146 -6.249 0.361 1.00 0.00 C ATOM 488 SG CYS A 35 -7.485 -7.148 -0.457 1.00 0.00 S ATOM 0 H CYS A 35 -6.483 -4.146 2.519 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.864 -6.997 2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.083 -5.247 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.202 -6.748 0.143 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.602 -6.930 0.172 1.00 0.00 H new ATOM 494 N GLN A 36 -4.168 -7.188 2.325 1.00 0.00 N ATOM 495 CA GLN A 36 -2.837 -7.303 2.909 1.00 0.00 C ATOM 496 C GLN A 36 -1.803 -7.649 1.844 1.00 0.00 C ATOM 497 O GLN A 36 -1.908 -8.675 1.172 1.00 0.00 O ATOM 498 CB GLN A 36 -2.830 -8.367 4.008 1.00 0.00 C ATOM 499 CG GLN A 36 -1.692 -8.206 5.003 1.00 0.00 C ATOM 500 CD GLN A 36 -1.330 -9.508 5.690 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.980 -10.533 5.486 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.286 -9.474 6.511 1.00 0.00 N ATOM 0 H GLN A 36 -4.445 -7.980 1.745 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.574 -6.339 3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.778 -8.330 4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.762 -9.353 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.815 -7.816 4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.973 -7.469 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.225 -8.602 6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.005 -10.320 7.001 1.00 0.00 H new ATOM 511 N VAL A 37 -0.804 -6.786 1.693 1.00 0.00 N ATOM 512 CA VAL A 37 0.251 -7.000 0.709 1.00 0.00 C ATOM 513 C VAL A 37 1.621 -7.059 1.376 1.00 0.00 C ATOM 514 O VAL A 37 1.754 -6.785 2.569 1.00 0.00 O ATOM 515 CB VAL A 37 0.258 -5.889 -0.357 1.00 0.00 C ATOM 516 CG1 VAL A 37 -1.057 -5.874 -1.122 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.526 -4.536 0.285 1.00 0.00 C ATOM 0 H VAL A 37 -0.703 -5.931 2.240 1.00 0.00 H new ATOM 0 HA VAL A 37 0.044 -7.955 0.226 1.00 0.00 H new ATOM 0 HB VAL A 37 1.060 -6.095 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.033 -5.082 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.202 -6.835 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.879 -5.694 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.527 -3.763 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.253 -4.320 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.496 -4.555 0.782 1.00 0.00 H new ATOM 527 N ILE A 38 2.636 -7.416 0.597 1.00 0.00 N ATOM 528 CA ILE A 38 3.997 -7.509 1.112 1.00 0.00 C ATOM 529 C ILE A 38 4.967 -6.709 0.249 1.00 0.00 C ATOM 530 O ILE A 38 4.822 -6.648 -0.971 1.00 0.00 O ATOM 531 CB ILE A 38 4.475 -8.972 1.180 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.581 -9.121 2.227 1.00 0.00 C ATOM 533 CG2 ILE A 38 4.963 -9.433 -0.184 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.616 -10.487 2.877 1.00 0.00 C ATOM 0 H ILE A 38 2.542 -7.646 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 38 3.982 -7.093 2.119 1.00 0.00 H new ATOM 0 HB ILE A 38 3.635 -9.601 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.545 -8.926 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.444 -8.363 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.297 -10.468 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.150 -9.358 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.792 -8.803 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.424 -10.522 3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.666 -10.677 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.783 -11.248 2.115 1.00 0.00 H new ATOM 546 N ALA A 39 5.957 -6.098 0.892 1.00 0.00 N ATOM 547 CA ALA A 39 6.953 -5.305 0.183 1.00 0.00 C ATOM 548 C ALA A 39 7.764 -6.171 -0.775 1.00 0.00 C ATOM 549 O ALA A 39 8.212 -7.259 -0.416 1.00 0.00 O ATOM 550 CB ALA A 39 7.874 -4.607 1.174 1.00 0.00 C ATOM 0 H ALA A 39 6.090 -6.137 1.902 1.00 0.00 H new ATOM 0 HA ALA A 39 6.430 -4.551 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.613 -4.018 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.287 -3.950 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.382 -5.352 1.786 1.00 0.00 H new ATOM 556 N MET A 40 7.947 -5.681 -1.997 1.00 0.00 N ATOM 557 CA MET A 40 8.704 -6.410 -3.007 1.00 0.00 C ATOM 558 C MET A 40 10.172 -5.997 -2.990 1.00 0.00 C ATOM 559 O MET A 40 11.049 -6.770 -3.378 1.00 0.00 O ATOM 560 CB MET A 40 8.109 -6.167 -4.396 1.00 0.00 C ATOM 561 CG MET A 40 6.856 -6.980 -4.672 1.00 0.00 C ATOM 562 SD MET A 40 6.556 -7.218 -6.434 1.00 0.00 S ATOM 563 CE MET A 40 6.454 -5.520 -6.992 1.00 0.00 C ATOM 0 H MET A 40 7.581 -4.782 -2.311 1.00 0.00 H new ATOM 0 HA MET A 40 8.642 -7.473 -2.774 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.875 -5.108 -4.502 1.00 0.00 H new ATOM 0 HB3 MET A 40 8.859 -6.404 -5.150 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.945 -7.953 -4.188 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.997 -6.479 -4.226 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.572 -5.396 -7.620 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.382 -4.857 -6.130 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.346 -5.272 -7.567 1.00 0.00 H new ATOM 573 N TYR A 41 10.433 -4.776 -2.539 1.00 0.00 N ATOM 574 CA TYR A 41 11.795 -4.259 -2.474 1.00 0.00 C ATOM 575 C TYR A 41 11.952 -3.280 -1.315 1.00 0.00 C ATOM 576 O TYR A 41 11.069 -2.462 -1.055 1.00 0.00 O ATOM 577 CB TYR A 41 12.166 -3.573 -3.789 1.00 0.00 C ATOM 578 CG TYR A 41 11.519 -4.202 -5.003 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.025 -5.371 -5.557 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.402 -3.626 -5.596 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.438 -5.948 -6.667 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.807 -4.197 -6.704 1.00 0.00 C ATOM 583 CZ TYR A 41 10.329 -5.357 -7.236 1.00 0.00 C ATOM 584 OH TYR A 41 9.740 -5.929 -8.341 1.00 0.00 O ATOM 0 H TYR A 41 9.719 -4.125 -2.213 1.00 0.00 H new ATOM 0 HA TYR A 41 12.468 -5.101 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.877 -2.523 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.249 -3.599 -3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 41 12.892 -5.837 -5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.992 -2.716 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.845 -6.856 -7.086 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.938 -3.738 -7.151 1.00 0.00 H new ATOM 0 HH TYR A 41 9.872 -6.900 -8.316 1.00 0.00 H new ATOM 594 N ASP A 42 13.082 -3.369 -0.622 1.00 0.00 N ATOM 595 CA ASP A 42 13.357 -2.491 0.509 1.00 0.00 C ATOM 596 C ASP A 42 13.067 -1.037 0.150 1.00 0.00 C ATOM 597 O ASP A 42 13.869 -0.378 -0.513 1.00 0.00 O ATOM 598 CB ASP A 42 14.813 -2.639 0.954 1.00 0.00 C ATOM 599 CG ASP A 42 15.762 -2.811 -0.216 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.568 -2.127 -1.243 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.699 -3.629 -0.104 1.00 0.00 O ATOM 0 H ASP A 42 13.823 -4.041 -0.824 1.00 0.00 H new ATOM 0 HA ASP A 42 12.703 -2.781 1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.105 -1.760 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.901 -3.498 1.619 1.00 0.00 H new ATOM 606 N TYR A 43 11.916 -0.542 0.592 1.00 0.00 N ATOM 607 CA TYR A 43 11.518 0.833 0.315 1.00 0.00 C ATOM 608 C TYR A 43 12.034 1.778 1.396 1.00 0.00 C ATOM 609 O TYR A 43 11.911 1.500 2.589 1.00 0.00 O ATOM 610 CB TYR A 43 9.995 0.935 0.217 1.00 0.00 C ATOM 611 CG TYR A 43 9.518 2.147 -0.552 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.696 3.429 -0.046 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.889 2.010 -1.783 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.261 4.539 -0.745 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.453 3.114 -2.489 1.00 0.00 C ATOM 616 CZ TYR A 43 8.641 4.376 -1.966 1.00 0.00 C ATOM 617 OH TYR A 43 8.206 5.478 -2.665 1.00 0.00 O ATOM 0 H TYR A 43 11.242 -1.073 1.144 1.00 0.00 H new ATOM 0 HA TYR A 43 11.957 1.127 -0.638 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.609 0.036 -0.263 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.576 0.965 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.182 3.560 0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.738 1.023 -2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.406 5.529 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.967 2.990 -3.446 1.00 0.00 H new ATOM 0 HH TYR A 43 7.243 5.594 -2.526 1.00 0.00 H new ATOM 627 N ALA A 44 12.612 2.896 0.969 1.00 0.00 N ATOM 628 CA ALA A 44 13.145 3.884 1.899 1.00 0.00 C ATOM 629 C ALA A 44 12.469 5.237 1.708 1.00 0.00 C ATOM 630 O ALA A 44 12.692 5.918 0.708 1.00 0.00 O ATOM 631 CB ALA A 44 14.651 4.014 1.725 1.00 0.00 C ATOM 0 H ALA A 44 12.723 3.140 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 44 12.936 3.543 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.036 4.755 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.124 3.051 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.874 4.329 0.705 1.00 0.00 H new ATOM 637 N ALA A 45 11.641 5.621 2.675 1.00 0.00 N ATOM 638 CA ALA A 45 10.934 6.894 2.613 1.00 0.00 C ATOM 639 C ALA A 45 11.900 8.066 2.748 1.00 0.00 C ATOM 640 O ALA A 45 12.509 8.263 3.799 1.00 0.00 O ATOM 641 CB ALA A 45 9.868 6.959 3.698 1.00 0.00 C ATOM 0 H ALA A 45 11.444 5.069 3.510 1.00 0.00 H new ATOM 0 HA ALA A 45 10.451 6.966 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.348 7.915 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.154 6.148 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.338 6.860 4.676 1.00 0.00 H new ATOM 702 N GLU A 50 6.286 9.714 3.094 1.00 0.00 N ATOM 703 CA GLU A 50 6.336 8.355 2.568 1.00 0.00 C ATOM 704 C GLU A 50 6.539 7.343 3.692 1.00 0.00 C ATOM 705 O GLU A 50 6.794 7.715 4.839 1.00 0.00 O ATOM 706 CB GLU A 50 7.461 8.223 1.539 1.00 0.00 C ATOM 707 CG GLU A 50 7.112 8.804 0.179 1.00 0.00 C ATOM 708 CD GLU A 50 8.257 8.701 -0.810 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.070 7.762 -0.680 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.341 9.559 -1.714 1.00 0.00 O ATOM 0 HA GLU A 50 5.383 8.146 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.352 8.722 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.712 7.169 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.242 8.284 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.831 9.851 0.296 1.00 0.00 H new ATOM 717 N LEU A 51 6.425 6.063 3.356 1.00 0.00 N ATOM 718 CA LEU A 51 6.596 4.996 4.336 1.00 0.00 C ATOM 719 C LEU A 51 7.884 4.220 4.078 1.00 0.00 C ATOM 720 O LEU A 51 8.105 3.714 2.978 1.00 0.00 O ATOM 721 CB LEU A 51 5.398 4.046 4.299 1.00 0.00 C ATOM 722 CG LEU A 51 5.009 3.405 5.631 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.935 2.348 5.421 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.229 2.800 6.310 1.00 0.00 C ATOM 0 H LEU A 51 6.215 5.739 2.412 1.00 0.00 H new ATOM 0 HA LEU A 51 6.660 5.451 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.537 4.594 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.612 3.251 3.585 1.00 0.00 H new ATOM 0 HG LEU A 51 4.605 4.181 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.671 1.902 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.052 2.809 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.312 1.574 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.932 2.349 7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.664 2.037 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.966 3.581 6.496 1.00 0.00 H new ATOM 736 N SER A 52 8.729 4.129 5.100 1.00 0.00 N ATOM 737 CA SER A 52 9.995 3.416 4.983 1.00 0.00 C ATOM 738 C SER A 52 9.875 2.000 5.540 1.00 0.00 C ATOM 739 O SER A 52 9.638 1.808 6.732 1.00 0.00 O ATOM 740 CB SER A 52 11.102 4.173 5.719 1.00 0.00 C ATOM 741 OG SER A 52 10.871 4.182 7.117 1.00 0.00 O ATOM 0 H SER A 52 8.560 4.540 6.018 1.00 0.00 H new ATOM 0 HA SER A 52 10.250 3.352 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.066 3.709 5.509 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.154 5.197 5.349 1.00 0.00 H new ATOM 0 HG SER A 52 10.397 3.364 7.375 1.00 0.00 H new ATOM 747 N PHE A 53 10.041 1.012 4.667 1.00 0.00 N ATOM 748 CA PHE A 53 9.950 -0.387 5.070 1.00 0.00 C ATOM 749 C PHE A 53 10.995 -1.230 4.346 1.00 0.00 C ATOM 750 O PHE A 53 11.587 -0.792 3.359 1.00 0.00 O ATOM 751 CB PHE A 53 8.550 -0.932 4.782 1.00 0.00 C ATOM 752 CG PHE A 53 8.071 -0.650 3.387 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.412 -1.491 2.340 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.280 0.456 3.122 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.974 -1.233 1.055 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.838 0.719 1.839 1.00 0.00 C ATOM 757 CZ PHE A 53 7.184 -0.128 0.804 1.00 0.00 C ATOM 0 H PHE A 53 10.239 1.154 3.677 1.00 0.00 H new ATOM 0 HA PHE A 53 10.141 -0.444 6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.547 -2.009 4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.847 -0.499 5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.027 -2.358 2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.005 1.121 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.249 -1.895 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.223 1.586 1.646 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.838 0.073 -0.199 1.00 0.00 H new ATOM 767 N SER A 54 11.217 -2.443 4.843 1.00 0.00 N ATOM 768 CA SER A 54 12.194 -3.347 4.247 1.00 0.00 C ATOM 769 C SER A 54 11.503 -4.546 3.606 1.00 0.00 C ATOM 770 O SER A 54 10.525 -5.072 4.137 1.00 0.00 O ATOM 771 CB SER A 54 13.191 -3.824 5.305 1.00 0.00 C ATOM 772 OG SER A 54 13.715 -2.732 6.041 1.00 0.00 O ATOM 0 H SER A 54 10.733 -2.822 5.657 1.00 0.00 H new ATOM 0 HA SER A 54 12.732 -2.802 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.700 -4.522 5.983 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.005 -4.366 4.824 1.00 0.00 H new ATOM 0 HG SER A 54 14.348 -3.063 6.712 1.00 0.00 H new ATOM 778 N LYS A 55 12.019 -4.974 2.458 1.00 0.00 N ATOM 779 CA LYS A 55 11.454 -6.112 1.742 1.00 0.00 C ATOM 780 C LYS A 55 10.904 -7.149 2.716 1.00 0.00 C ATOM 781 O LYS A 55 11.608 -7.607 3.614 1.00 0.00 O ATOM 782 CB LYS A 55 12.515 -6.753 0.844 1.00 0.00 C ATOM 783 CG LYS A 55 11.940 -7.441 -0.381 1.00 0.00 C ATOM 784 CD LYS A 55 13.035 -7.893 -1.333 1.00 0.00 C ATOM 785 CE LYS A 55 13.480 -9.317 -1.034 1.00 0.00 C ATOM 786 NZ LYS A 55 12.443 -10.314 -1.419 1.00 0.00 N ATOM 0 H LYS A 55 12.828 -4.550 2.004 1.00 0.00 H new ATOM 0 HA LYS A 55 10.633 -5.749 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.219 -5.985 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.081 -7.480 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.348 -8.302 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.265 -6.760 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.674 -7.831 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.888 -7.220 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.405 -9.529 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.699 -9.413 0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.881 -11.253 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.703 -10.344 -0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.020 -10.041 -2.329 1.00 0.00 H new ATOM 800 N GLY A 56 9.639 -7.515 2.531 1.00 0.00 N ATOM 801 CA GLY A 56 9.016 -8.496 3.400 1.00 0.00 C ATOM 802 C GLY A 56 8.372 -7.866 4.618 1.00 0.00 C ATOM 803 O GLY A 56 8.098 -8.548 5.605 1.00 0.00 O ATOM 0 H GLY A 56 9.035 -7.150 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.262 -9.047 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.765 -9.219 3.722 1.00 0.00 H new ATOM 807 N GLN A 57 8.131 -6.560 4.550 1.00 0.00 N ATOM 808 CA GLN A 57 7.517 -5.838 5.657 1.00 0.00 C ATOM 809 C GLN A 57 6.015 -6.095 5.709 1.00 0.00 C ATOM 810 O GLN A 57 5.408 -6.492 4.714 1.00 0.00 O ATOM 811 CB GLN A 57 7.786 -4.338 5.527 1.00 0.00 C ATOM 812 CG GLN A 57 7.758 -3.597 6.854 1.00 0.00 C ATOM 813 CD GLN A 57 8.989 -3.865 7.697 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.812 -4.718 7.363 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.122 -3.135 8.799 1.00 0.00 N ATOM 0 H GLN A 57 8.352 -5.981 3.740 1.00 0.00 H new ATOM 0 HA GLN A 57 7.961 -6.200 6.584 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.759 -4.191 5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.043 -3.901 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.677 -2.526 6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.869 -3.891 7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.416 -2.439 9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.930 -3.271 9.406 1.00 0.00 H new ATOM 824 N LEU A 58 5.421 -5.867 6.875 1.00 0.00 N ATOM 825 CA LEU A 58 3.988 -6.074 7.057 1.00 0.00 C ATOM 826 C LEU A 58 3.200 -4.843 6.621 1.00 0.00 C ATOM 827 O LEU A 58 3.166 -3.834 7.326 1.00 0.00 O ATOM 828 CB LEU A 58 3.682 -6.398 8.521 1.00 0.00 C ATOM 829 CG LEU A 58 2.311 -5.953 9.034 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.207 -6.482 8.132 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.101 -6.420 10.467 1.00 0.00 C ATOM 0 H LEU A 58 5.909 -5.539 7.708 1.00 0.00 H new ATOM 0 HA LEU A 58 3.685 -6.915 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.767 -7.476 8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.448 -5.935 9.143 1.00 0.00 H new ATOM 0 HG LEU A 58 2.274 -4.864 9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.239 -6.156 8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.348 -6.099 7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.242 -7.571 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.121 -6.095 10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.158 -7.508 10.507 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.874 -5.992 11.106 1.00 0.00 H new ATOM 843 N ILE A 59 2.567 -4.935 5.456 1.00 0.00 N ATOM 844 CA ILE A 59 1.776 -3.830 4.928 1.00 0.00 C ATOM 845 C ILE A 59 0.343 -4.266 4.646 1.00 0.00 C ATOM 846 O ILE A 59 0.108 -5.315 4.048 1.00 0.00 O ATOM 847 CB ILE A 59 2.393 -3.264 3.635 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.773 -2.669 3.921 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.474 -2.216 3.025 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.662 -2.590 2.699 1.00 0.00 C ATOM 0 H ILE A 59 2.586 -5.763 4.860 1.00 0.00 H new ATOM 0 HA ILE A 59 1.773 -3.051 5.690 1.00 0.00 H new ATOM 0 HB ILE A 59 2.510 -4.077 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.650 -1.669 4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.269 -3.271 4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.923 -1.825 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.511 -2.669 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.329 -1.402 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.624 -2.158 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.816 -3.591 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.187 -1.964 1.944 1.00 0.00 H new ATOM 862 N ASN A 60 -0.614 -3.451 5.080 1.00 0.00 N ATOM 863 CA ASN A 60 -2.026 -3.751 4.873 1.00 0.00 C ATOM 864 C ASN A 60 -2.705 -2.647 4.069 1.00 0.00 C ATOM 865 O ASN A 60 -3.037 -1.589 4.604 1.00 0.00 O ATOM 866 CB ASN A 60 -2.734 -3.927 6.218 1.00 0.00 C ATOM 867 CG ASN A 60 -2.294 -5.184 6.943 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.100 -5.461 7.060 1.00 0.00 O ATOM 869 ND2 ASN A 60 -3.260 -5.952 7.434 1.00 0.00 N ATOM 0 H ASN A 60 -0.437 -2.578 5.577 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.095 -4.681 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.534 -3.059 6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.811 -3.962 6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.025 -6.811 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.236 -5.683 7.313 1.00 0.00 H new ATOM 876 N VAL A 61 -2.908 -2.900 2.780 1.00 0.00 N ATOM 877 CA VAL A 61 -3.548 -1.929 1.901 1.00 0.00 C ATOM 878 C VAL A 61 -4.923 -1.533 2.429 1.00 0.00 C ATOM 879 O VAL A 61 -5.796 -2.380 2.614 1.00 0.00 O ATOM 880 CB VAL A 61 -3.699 -2.480 0.471 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.264 -1.414 -0.456 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.364 -2.994 -0.046 1.00 0.00 C ATOM 0 H VAL A 61 -2.638 -3.770 2.321 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.903 -1.050 1.877 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.399 -3.315 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.363 -1.822 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.243 -1.099 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.591 -0.557 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.490 -3.380 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.640 -2.180 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.005 -3.792 0.604 1.00 0.00 H new ATOM 892 N MET A 62 -5.108 -0.239 2.670 1.00 0.00 N ATOM 893 CA MET A 62 -6.377 0.270 3.175 1.00 0.00 C ATOM 894 C MET A 62 -7.107 1.073 2.103 1.00 0.00 C ATOM 895 O MET A 62 -8.336 1.087 2.054 1.00 0.00 O ATOM 896 CB MET A 62 -6.146 1.141 4.412 1.00 0.00 C ATOM 897 CG MET A 62 -5.103 0.579 5.364 1.00 0.00 C ATOM 898 SD MET A 62 -4.639 1.750 6.654 1.00 0.00 S ATOM 899 CE MET A 62 -5.478 1.044 8.070 1.00 0.00 C ATOM 0 H MET A 62 -4.395 0.476 2.524 1.00 0.00 H new ATOM 0 HA MET A 62 -6.997 -0.583 3.450 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.836 2.136 4.093 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.089 1.257 4.946 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.490 -0.330 5.825 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.215 0.296 4.799 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.286 1.658 8.950 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.550 1.010 7.878 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.108 0.034 8.245 1.00 0.00 H new ATOM 909 N ASN A 63 -6.341 1.740 1.246 1.00 0.00 N ATOM 910 CA ASN A 63 -6.915 2.546 0.175 1.00 0.00 C ATOM 911 C ASN A 63 -6.050 2.479 -1.080 1.00 0.00 C ATOM 912 O ASN A 63 -4.986 3.095 -1.148 1.00 0.00 O ATOM 913 CB ASN A 63 -7.066 4.000 0.627 1.00 0.00 C ATOM 914 CG ASN A 63 -7.977 4.798 -0.286 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.482 5.129 -1.473 1.00 0.00 O flip ATOM 916 ND2 ASN A 63 -9.112 5.112 0.072 1.00 0.00 N flip ATOM 0 H ASN A 63 -5.321 1.738 1.272 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.899 2.142 -0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.463 4.023 1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.084 4.472 0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.451 4.836 0.994 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.714 5.648 -0.553 1.00 0.00 H new ATOM 923 N LYS A 64 -6.514 1.729 -2.073 1.00 0.00 N ATOM 924 CA LYS A 64 -5.786 1.582 -3.327 1.00 0.00 C ATOM 925 C LYS A 64 -6.609 2.105 -4.500 1.00 0.00 C ATOM 926 O LYS A 64 -6.581 1.539 -5.593 1.00 0.00 O ATOM 927 CB LYS A 64 -5.422 0.114 -3.561 1.00 0.00 C ATOM 928 CG LYS A 64 -6.606 -0.751 -3.956 1.00 0.00 C ATOM 929 CD LYS A 64 -6.315 -2.227 -3.744 1.00 0.00 C ATOM 930 CE LYS A 64 -7.060 -3.092 -4.749 1.00 0.00 C ATOM 931 NZ LYS A 64 -7.396 -4.430 -4.187 1.00 0.00 N ATOM 0 H LYS A 64 -7.393 1.213 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.871 2.171 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.664 0.056 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.975 -0.290 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.479 -0.464 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.853 -0.575 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.243 -2.404 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.602 -2.514 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.976 -2.586 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.450 -3.217 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.903 -4.990 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.521 -4.923 -3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.999 -4.313 -3.348 1.00 0.00 H new ATOM 945 N ASP A 65 -7.341 3.189 -4.266 1.00 0.00 N ATOM 946 CA ASP A 65 -8.171 3.790 -5.303 1.00 0.00 C ATOM 947 C ASP A 65 -7.356 4.053 -6.566 1.00 0.00 C ATOM 948 O ASP A 65 -7.871 3.956 -7.680 1.00 0.00 O ATOM 949 CB ASP A 65 -8.790 5.095 -4.799 1.00 0.00 C ATOM 950 CG ASP A 65 -10.029 5.487 -5.579 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.770 4.579 -6.010 1.00 0.00 O ATOM 952 OD2 ASP A 65 -10.258 6.701 -5.759 1.00 0.00 O ATOM 0 H ASP A 65 -7.376 3.669 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.970 3.089 -5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.046 4.989 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.052 5.894 -4.869 1.00 0.00 H new ATOM 957 N ASP A 66 -6.084 4.387 -6.384 1.00 0.00 N ATOM 958 CA ASP A 66 -5.197 4.665 -7.508 1.00 0.00 C ATOM 959 C ASP A 66 -4.236 3.504 -7.741 1.00 0.00 C ATOM 960 O ASP A 66 -3.501 3.085 -6.847 1.00 0.00 O ATOM 961 CB ASP A 66 -4.411 5.953 -7.259 1.00 0.00 C ATOM 962 CG ASP A 66 -5.265 7.194 -7.424 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.511 7.596 -8.581 1.00 0.00 O ATOM 964 OD2 ASP A 66 -5.688 7.764 -6.396 1.00 0.00 O ATOM 0 H ASP A 66 -5.643 4.472 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.810 4.790 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.996 5.933 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.569 6.001 -7.950 1.00 0.00 H new ATOM 969 N PRO A 67 -4.240 2.970 -8.972 1.00 0.00 N ATOM 970 CA PRO A 67 -3.374 1.850 -9.351 1.00 0.00 C ATOM 971 C PRO A 67 -1.905 2.251 -9.424 1.00 0.00 C ATOM 972 O PRO A 67 -1.050 1.448 -9.799 1.00 0.00 O ATOM 973 CB PRO A 67 -3.890 1.457 -10.738 1.00 0.00 C ATOM 974 CG PRO A 67 -4.515 2.698 -11.275 1.00 0.00 C ATOM 975 CD PRO A 67 -5.089 3.420 -10.087 1.00 0.00 C ATOM 0 HA PRO A 67 -3.411 1.041 -8.621 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.079 1.113 -11.379 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.614 0.644 -10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.778 3.316 -11.788 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.293 2.461 -12.001 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.045 4.502 -10.214 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.135 3.160 -9.926 1.00 0.00 H new ATOM 983 N ASP A 68 -1.618 3.497 -9.063 1.00 0.00 N ATOM 984 CA ASP A 68 -0.251 4.005 -9.086 1.00 0.00 C ATOM 985 C ASP A 68 0.373 3.948 -7.695 1.00 0.00 C ATOM 986 O ASP A 68 1.500 3.481 -7.528 1.00 0.00 O ATOM 987 CB ASP A 68 -0.226 5.441 -9.611 1.00 0.00 C ATOM 988 CG ASP A 68 -1.345 5.716 -10.596 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.440 6.122 -10.153 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.126 5.526 -11.811 1.00 0.00 O ATOM 0 H ASP A 68 -2.314 4.174 -8.751 1.00 0.00 H new ATOM 0 HA ASP A 68 0.334 3.373 -9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.306 6.133 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.733 5.632 -10.092 1.00 0.00 H new ATOM 995 N TRP A 69 -0.367 4.426 -6.701 1.00 0.00 N ATOM 996 CA TRP A 69 0.115 4.431 -5.324 1.00 0.00 C ATOM 997 C TRP A 69 -0.967 3.942 -4.367 1.00 0.00 C ATOM 998 O TRP A 69 -2.125 4.349 -4.465 1.00 0.00 O ATOM 999 CB TRP A 69 0.568 5.837 -4.925 1.00 0.00 C ATOM 1000 CG TRP A 69 1.968 6.154 -5.356 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.415 6.313 -6.637 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.103 6.348 -4.506 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.760 6.594 -6.634 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.206 6.622 -5.339 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.296 6.320 -3.122 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.480 6.864 -4.832 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.560 6.560 -2.620 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.639 6.830 -3.473 1.00 0.00 C ATOM 0 H TRP A 69 -1.302 4.815 -6.822 1.00 0.00 H new ATOM 0 HA TRP A 69 0.965 3.751 -5.261 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.113 6.568 -5.361 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.496 5.941 -3.842 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.801 6.230 -7.522 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.333 6.756 -7.462 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.471 6.114 -2.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.313 7.071 -5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.720 6.539 -1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.615 7.015 -3.049 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.583 3.068 -3.444 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.522 2.524 -2.469 1.00 0.00 C ATOM 1021 C TRP A 70 -1.162 2.973 -1.057 1.00 0.00 C ATOM 1022 O TRP A 70 -0.076 3.504 -0.824 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.538 0.997 -2.544 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.104 0.471 -3.828 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.640 1.203 -4.848 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -2.191 -0.902 -4.227 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.055 0.369 -5.858 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.791 -0.927 -5.502 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.820 -2.111 -3.633 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -3.027 -2.115 -6.189 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -2.056 -3.288 -4.317 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.654 -3.284 -5.584 1.00 0.00 C ATOM 0 H TRP A 70 0.371 2.721 -3.350 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.516 2.903 -2.708 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.521 0.624 -2.424 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.122 0.606 -1.711 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.725 2.280 -4.859 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.489 0.667 -6.732 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.357 -2.125 -2.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.488 -2.114 -7.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.774 -4.228 -3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.824 -4.221 -6.093 1.00 0.00 H new ATOM 1043 N GLN A 71 -2.078 2.756 -0.120 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.856 3.140 1.269 1.00 0.00 C ATOM 1045 C GLN A 71 -1.842 1.914 2.177 1.00 0.00 C ATOM 1046 O GLN A 71 -2.780 1.118 2.176 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.938 4.118 1.730 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.724 4.640 3.142 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.469 5.934 3.404 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.129 6.475 2.517 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -3.367 6.438 4.628 1.00 0.00 N ATOM 0 H GLN A 71 -2.981 2.316 -0.297 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.884 3.629 1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.971 4.962 1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.909 3.625 1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.051 3.886 3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.659 4.798 3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.809 5.956 5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.847 7.307 4.863 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.770 1.768 2.951 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.655 0.637 3.852 1.00 0.00 C ATOM 1062 C GLY A 72 -0.223 1.048 5.246 1.00 0.00 C ATOM 1063 O GLY A 72 -0.074 2.235 5.531 1.00 0.00 O ATOM 0 H GLY A 72 0.020 2.413 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.614 0.123 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.064 -0.075 3.447 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.026 0.063 6.117 1.00 0.00 N ATOM 1068 CA GLU A 73 0.388 0.330 7.489 1.00 0.00 C ATOM 1069 C GLU A 73 1.470 -0.651 7.932 1.00 0.00 C ATOM 1070 O GLU A 73 1.576 -1.756 7.400 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.813 0.242 8.434 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.493 -1.117 8.429 1.00 0.00 C ATOM 1073 CD GLU A 73 -0.945 -2.047 9.494 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -1.275 -1.849 10.682 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -0.187 -2.974 9.138 1.00 0.00 O ATOM 0 H GLU A 73 -0.146 -0.926 5.897 1.00 0.00 H new ATOM 0 HA GLU A 73 0.799 1.339 7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.484 0.471 9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.541 1.004 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.564 -0.984 8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.368 -1.578 7.449 1.00 0.00 H new ATOM 1082 N ILE A 74 2.272 -0.237 8.908 1.00 0.00 N ATOM 1083 CA ILE A 74 3.345 -1.079 9.422 1.00 0.00 C ATOM 1084 C ILE A 74 3.676 -0.725 10.868 1.00 0.00 C ATOM 1085 O ILE A 74 4.187 0.358 11.151 1.00 0.00 O ATOM 1086 CB ILE A 74 4.620 -0.949 8.569 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.261 -0.879 7.083 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.559 -2.116 8.837 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.444 -0.580 6.189 1.00 0.00 C ATOM 0 H ILE A 74 2.199 0.675 9.358 1.00 0.00 H new ATOM 0 HA ILE A 74 2.989 -2.108 9.374 1.00 0.00 H new ATOM 0 HB ILE A 74 5.130 -0.026 8.845 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.817 -1.827 6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.502 -0.111 6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.456 -2.009 8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.837 -2.125 9.891 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.058 -3.051 8.586 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.115 -0.545 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.875 0.382 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.195 -1.361 6.306 1.00 0.00 H new ATOM 1101 N ASN A 75 3.384 -1.647 11.779 1.00 0.00 N ATOM 1102 CA ASN A 75 3.652 -1.433 13.197 1.00 0.00 C ATOM 1103 C ASN A 75 2.927 -0.190 13.706 1.00 0.00 C ATOM 1104 O ASN A 75 3.520 0.659 14.368 1.00 0.00 O ATOM 1105 CB ASN A 75 5.156 -1.294 13.437 1.00 0.00 C ATOM 1106 CG ASN A 75 5.831 -2.633 13.665 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.551 -3.322 14.646 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.726 -3.006 12.758 1.00 0.00 N ATOM 0 H ASN A 75 2.962 -2.550 11.561 1.00 0.00 H new ATOM 0 HA ASN A 75 3.282 -2.298 13.746 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.614 -0.801 12.580 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.325 -0.653 14.302 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.213 -3.896 12.859 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.926 -2.402 11.961 1.00 0.00 H new ATOM 1115 N GLY A 76 1.639 -0.092 13.391 1.00 0.00 N ATOM 1116 CA GLY A 76 0.854 1.049 13.824 1.00 0.00 C ATOM 1117 C GLY A 76 1.235 2.324 13.098 1.00 0.00 C ATOM 1118 O GLY A 76 0.814 3.415 13.482 1.00 0.00 O ATOM 0 H GLY A 76 1.125 -0.783 12.844 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.203 0.842 13.659 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.987 1.192 14.896 1.00 0.00 H new ATOM 1122 N VAL A 77 2.036 2.188 12.046 1.00 0.00 N ATOM 1123 CA VAL A 77 2.474 3.338 11.265 1.00 0.00 C ATOM 1124 C VAL A 77 1.784 3.374 9.905 1.00 0.00 C ATOM 1125 O VAL A 77 1.442 2.334 9.342 1.00 0.00 O ATOM 1126 CB VAL A 77 4.000 3.325 11.054 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.357 2.567 9.784 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.543 4.745 11.008 1.00 0.00 C ATOM 0 H VAL A 77 2.395 1.292 11.715 1.00 0.00 H new ATOM 0 HA VAL A 77 2.201 4.228 11.832 1.00 0.00 H new ATOM 0 HB VAL A 77 4.462 2.811 11.897 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.439 2.568 9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.002 1.539 9.862 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.886 3.050 8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.622 4.717 10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.076 5.286 10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.320 5.250 11.948 1.00 0.00 H new ATOM 1138 N THR A 78 1.583 4.579 9.382 1.00 0.00 N ATOM 1139 CA THR A 78 0.934 4.752 8.088 1.00 0.00 C ATOM 1140 C THR A 78 1.708 5.729 7.211 1.00 0.00 C ATOM 1141 O THR A 78 2.355 6.649 7.710 1.00 0.00 O ATOM 1142 CB THR A 78 -0.512 5.257 8.249 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.527 6.460 9.026 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.383 4.204 8.917 1.00 0.00 C ATOM 0 H THR A 78 1.860 5.450 9.835 1.00 0.00 H new ATOM 0 HA THR A 78 0.918 3.773 7.608 1.00 0.00 H new ATOM 0 HB THR A 78 -0.915 5.461 7.257 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.450 6.776 9.122 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.399 4.584 9.020 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.393 3.300 8.308 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.981 3.972 9.903 1.00 0.00 H new ATOM 1152 N GLY A 79 1.636 5.524 5.899 1.00 0.00 N ATOM 1153 CA GLY A 79 2.335 6.396 4.973 1.00 0.00 C ATOM 1154 C GLY A 79 1.825 6.260 3.552 1.00 0.00 C ATOM 1155 O GLY A 79 0.631 6.051 3.330 1.00 0.00 O ATOM 0 H GLY A 79 1.106 4.770 5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.224 7.430 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.400 6.167 4.997 1.00 0.00 H new ATOM 1159 N LEU A 80 2.730 6.379 2.586 1.00 0.00 N ATOM 1160 CA LEU A 80 2.365 6.270 1.178 1.00 0.00 C ATOM 1161 C LEU A 80 3.441 5.527 0.393 1.00 0.00 C ATOM 1162 O LEU A 80 4.635 5.757 0.585 1.00 0.00 O ATOM 1163 CB LEU A 80 2.148 7.660 0.578 1.00 0.00 C ATOM 1164 CG LEU A 80 0.816 8.333 0.909 1.00 0.00 C ATOM 1165 CD1 LEU A 80 0.801 9.767 0.400 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.343 7.544 0.317 1.00 0.00 C ATOM 0 H LEU A 80 3.722 6.551 2.752 1.00 0.00 H new ATOM 0 HA LEU A 80 1.436 5.703 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.955 8.310 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.234 7.583 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 80 0.701 8.352 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.155 10.230 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.607 10.329 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.940 9.771 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.283 8.038 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.233 7.493 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.345 6.535 0.730 1.00 0.00 H new ATOM 1178 N PHE A 81 3.010 4.635 -0.493 1.00 0.00 N ATOM 1179 CA PHE A 81 3.937 3.859 -1.309 1.00 0.00 C ATOM 1180 C PHE A 81 3.288 3.448 -2.628 1.00 0.00 C ATOM 1181 O PHE A 81 2.066 3.355 -2.745 1.00 0.00 O ATOM 1182 CB PHE A 81 4.402 2.616 -0.548 1.00 0.00 C ATOM 1183 CG PHE A 81 3.273 1.806 0.024 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.353 1.191 -0.809 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.132 1.661 1.395 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.313 0.445 -0.287 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.095 0.915 1.923 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.184 0.308 1.081 1.00 0.00 C ATOM 0 H PHE A 81 2.025 4.432 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 81 4.801 4.486 -1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.987 1.987 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.065 2.922 0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.449 1.296 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.840 2.136 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.603 -0.030 -0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.997 0.807 2.993 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.372 -0.273 1.492 1.00 0.00 H new ATOM 1198 N PRO A 82 4.124 3.197 -3.646 1.00 0.00 N ATOM 1199 CA PRO A 82 3.656 2.793 -4.974 1.00 0.00 C ATOM 1200 C PRO A 82 3.072 1.384 -4.979 1.00 0.00 C ATOM 1201 O PRO A 82 3.543 0.504 -4.259 1.00 0.00 O ATOM 1202 CB PRO A 82 4.924 2.849 -5.830 1.00 0.00 C ATOM 1203 CG PRO A 82 6.041 2.653 -4.864 1.00 0.00 C ATOM 1204 CD PRO A 82 5.593 3.289 -3.577 1.00 0.00 C ATOM 0 HA PRO A 82 2.853 3.435 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.920 2.072 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.011 3.805 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.253 1.593 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.958 3.115 -5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.989 2.762 -2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.928 4.323 -3.502 1.00 0.00 H new ATOM 1212 N SER A 83 2.044 1.178 -5.795 1.00 0.00 N ATOM 1213 CA SER A 83 1.393 -0.124 -5.891 1.00 0.00 C ATOM 1214 C SER A 83 2.247 -1.100 -6.694 1.00 0.00 C ATOM 1215 O SER A 83 1.816 -2.211 -7.001 1.00 0.00 O ATOM 1216 CB SER A 83 0.014 0.018 -6.539 1.00 0.00 C ATOM 1217 OG SER A 83 0.127 0.243 -7.934 1.00 0.00 O ATOM 0 H SER A 83 1.643 1.895 -6.399 1.00 0.00 H new ATOM 0 HA SER A 83 1.273 -0.518 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.571 -0.884 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.525 0.845 -6.077 1.00 0.00 H new ATOM 0 HG SER A 83 -0.752 0.476 -8.300 1.00 0.00 H new ATOM 1223 N ASN A 84 3.461 -0.677 -7.030 1.00 0.00 N ATOM 1224 CA ASN A 84 4.377 -1.513 -7.798 1.00 0.00 C ATOM 1225 C ASN A 84 5.482 -2.071 -6.906 1.00 0.00 C ATOM 1226 O ASN A 84 6.337 -2.831 -7.361 1.00 0.00 O ATOM 1227 CB ASN A 84 4.990 -0.711 -8.948 1.00 0.00 C ATOM 1228 CG ASN A 84 3.995 -0.441 -10.060 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.769 -1.287 -10.925 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.394 0.744 -10.041 1.00 0.00 N ATOM 0 H ASN A 84 3.834 0.240 -6.783 1.00 0.00 H new ATOM 0 HA ASN A 84 3.810 -2.348 -8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.369 0.237 -8.565 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.844 -1.255 -9.352 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.714 0.983 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.612 1.415 -9.304 1.00 0.00 H new ATOM 1237 N TYR A 85 5.457 -1.689 -5.634 1.00 0.00 N ATOM 1238 CA TYR A 85 6.457 -2.149 -4.678 1.00 0.00 C ATOM 1239 C TYR A 85 5.851 -3.143 -3.692 1.00 0.00 C ATOM 1240 O TYR A 85 6.454 -3.465 -2.668 1.00 0.00 O ATOM 1241 CB TYR A 85 7.053 -0.961 -3.921 1.00 0.00 C ATOM 1242 CG TYR A 85 8.277 -0.372 -4.586 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.171 0.344 -5.771 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.539 -0.531 -4.027 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.287 0.883 -6.382 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.660 0.006 -4.630 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.529 0.712 -5.807 1.00 0.00 C ATOM 1248 OH TYR A 85 11.643 1.248 -6.412 1.00 0.00 O ATOM 0 H TYR A 85 4.755 -1.062 -5.241 1.00 0.00 H new ATOM 0 HA TYR A 85 7.249 -2.652 -5.232 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.294 -0.185 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.315 -1.279 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.200 0.482 -6.223 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.645 -1.084 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.187 1.435 -7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.634 -0.127 -4.182 1.00 0.00 H new ATOM 0 HH TYR A 85 12.438 1.038 -5.879 1.00 0.00 H new ATOM 1258 N VAL A 86 4.655 -3.627 -4.010 1.00 0.00 N ATOM 1259 CA VAL A 86 3.966 -4.586 -3.154 1.00 0.00 C ATOM 1260 C VAL A 86 3.286 -5.671 -3.981 1.00 0.00 C ATOM 1261 O VAL A 86 2.793 -5.413 -5.080 1.00 0.00 O ATOM 1262 CB VAL A 86 2.913 -3.894 -2.270 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.544 -2.762 -1.473 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.759 -3.380 -3.118 1.00 0.00 C ATOM 0 H VAL A 86 4.143 -3.371 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 86 4.723 -5.041 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 86 2.519 -4.627 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.784 -2.285 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.333 -3.161 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.968 -2.027 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.024 -2.894 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.135 -2.663 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.290 -4.215 -3.639 1.00 0.00 H new ATOM 1274 N LYS A 87 3.262 -6.887 -3.447 1.00 0.00 N ATOM 1275 CA LYS A 87 2.641 -8.013 -4.133 1.00 0.00 C ATOM 1276 C LYS A 87 1.623 -8.706 -3.232 1.00 0.00 C ATOM 1277 O LYS A 87 1.954 -9.149 -2.133 1.00 0.00 O ATOM 1278 CB LYS A 87 3.707 -9.016 -4.581 1.00 0.00 C ATOM 1279 CG LYS A 87 3.200 -10.034 -5.587 1.00 0.00 C ATOM 1280 CD LYS A 87 4.279 -11.039 -5.955 1.00 0.00 C ATOM 1281 CE LYS A 87 3.854 -11.909 -7.128 1.00 0.00 C ATOM 1282 NZ LYS A 87 2.980 -13.034 -6.697 1.00 0.00 N ATOM 0 H LYS A 87 3.666 -7.118 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 87 2.121 -7.628 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.545 -8.472 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.090 -9.542 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.339 -10.558 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.858 -9.520 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.199 -10.511 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.499 -11.670 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.325 -11.298 -7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.739 -12.307 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.712 -13.603 -7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.493 -13.632 -6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.123 -12.655 -6.246 1.00 0.00 H new