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 54 SER OG : rot -27:sc= 0.134 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.695 K(o=-0.56,f=-4.4!) USER MOD Set 2.1: A 40 MET CE :methyl -116:sc= -4.19! (180deg=-9.31!) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= -0.283 USER MOD Single : A 35 CYS SG : rot 180:sc= 0.113 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 43 TYR OH : rot -120:sc= 0.106 USER MOD Single : A 52 SER OG : rot 43:sc= 0.249 USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0303) USER MOD Single : A 60 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.2!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -136:sc= -0.845 (180deg=-3.12!) USER MOD Single : A 71 GLN : amide:sc= -0.0454 K(o=-0.045,f=-1.5!) USER MOD Single : A 75 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 164:sc= 0.798 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.064) 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 -8.333 -3.135 3.527 1.00 0.00 N ATOM 468 CA VAL A 34 -9.009 -3.768 2.401 1.00 0.00 C ATOM 469 C VAL A 34 -8.349 -5.093 2.037 1.00 0.00 C ATOM 470 O VAL A 34 -9.018 -6.037 1.616 1.00 0.00 O ATOM 471 CB VAL A 34 -9.014 -2.852 1.162 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.703 -2.978 0.401 1.00 0.00 C ATOM 473 CG2 VAL A 34 -10.196 -3.179 0.263 1.00 0.00 C ATOM 0 HA VAL A 34 -10.037 -3.952 2.712 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.116 -1.819 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.724 -2.324 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.876 -2.690 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.568 -4.010 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.184 -2.523 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.128 -4.217 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.124 -3.033 0.815 1.00 0.00 H new ATOM 483 N CYS A 35 -7.032 -5.157 2.204 1.00 0.00 N ATOM 484 CA CYS A 35 -6.280 -6.367 1.893 1.00 0.00 C ATOM 485 C CYS A 35 -4.877 -6.302 2.486 1.00 0.00 C ATOM 486 O CYS A 35 -4.478 -5.284 3.051 1.00 0.00 O ATOM 487 CB CYS A 35 -6.198 -6.566 0.379 1.00 0.00 C ATOM 488 SG CYS A 35 -6.062 -8.296 -0.132 1.00 0.00 S ATOM 0 H CYS A 35 -6.464 -4.385 2.553 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.803 -7.215 2.336 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.084 -6.131 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.337 -6.017 -0.003 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.001 -8.362 -1.429 1.00 0.00 H new ATOM 494 N GLN A 36 -4.133 -7.396 2.356 1.00 0.00 N ATOM 495 CA GLN A 36 -2.775 -7.464 2.881 1.00 0.00 C ATOM 496 C GLN A 36 -1.776 -7.769 1.770 1.00 0.00 C ATOM 497 O GLN A 36 -1.916 -8.756 1.049 1.00 0.00 O ATOM 498 CB GLN A 36 -2.681 -8.530 3.975 1.00 0.00 C ATOM 499 CG GLN A 36 -1.448 -8.394 4.853 1.00 0.00 C ATOM 500 CD GLN A 36 -1.232 -9.599 5.747 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.954 -10.592 5.655 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.234 -9.518 6.619 1.00 0.00 N ATOM 0 H GLN A 36 -4.448 -8.247 1.891 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.529 -6.492 3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.571 -8.475 4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.679 -9.516 3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.571 -8.253 4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.543 -7.501 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.339 -8.675 6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.041 -10.298 7.247 1.00 0.00 H new ATOM 511 N VAL A 37 -0.766 -6.914 1.638 1.00 0.00 N ATOM 512 CA VAL A 37 0.258 -7.092 0.616 1.00 0.00 C ATOM 513 C VAL A 37 1.644 -7.208 1.240 1.00 0.00 C ATOM 514 O VAL A 37 1.827 -6.928 2.425 1.00 0.00 O ATOM 515 CB VAL A 37 0.255 -5.926 -0.391 1.00 0.00 C ATOM 516 CG1 VAL A 37 -1.046 -5.904 -1.179 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.476 -4.603 0.328 1.00 0.00 C ATOM 0 H VAL A 37 -0.636 -6.091 2.227 1.00 0.00 H new ATOM 0 HA VAL A 37 0.022 -8.017 0.090 1.00 0.00 H new ATOM 0 HB VAL A 37 1.074 -6.073 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.030 -5.074 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.157 -6.842 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.885 -5.781 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.471 -3.789 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.321 -4.446 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.437 -4.625 0.843 1.00 0.00 H new ATOM 527 N ILE A 38 2.617 -7.621 0.434 1.00 0.00 N ATOM 528 CA ILE A 38 3.987 -7.772 0.908 1.00 0.00 C ATOM 529 C ILE A 38 4.956 -6.963 0.051 1.00 0.00 C ATOM 530 O ILE A 38 4.853 -6.949 -1.175 1.00 0.00 O ATOM 531 CB ILE A 38 4.425 -9.248 0.904 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.472 -9.495 1.991 1.00 0.00 C ATOM 533 CG2 ILE A 38 4.971 -9.635 -0.463 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.436 -10.897 2.558 1.00 0.00 C ATOM 0 H ILE A 38 2.482 -7.857 -0.549 1.00 0.00 H new ATOM 0 HA ILE A 38 4.010 -7.398 1.932 1.00 0.00 H new ATOM 0 HB ILE A 38 3.555 -9.870 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.463 -9.304 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.319 -8.781 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.276 -10.681 -0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.197 -9.492 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.831 -9.009 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.205 -11.000 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.458 -11.086 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.619 -11.617 1.760 1.00 0.00 H new ATOM 546 N ALA A 39 5.899 -6.293 0.706 1.00 0.00 N ATOM 547 CA ALA A 39 6.889 -5.486 0.005 1.00 0.00 C ATOM 548 C ALA A 39 7.805 -6.358 -0.847 1.00 0.00 C ATOM 549 O ALA A 39 8.371 -7.338 -0.363 1.00 0.00 O ATOM 550 CB ALA A 39 7.706 -4.673 0.999 1.00 0.00 C ATOM 0 H ALA A 39 5.998 -6.294 1.721 1.00 0.00 H new ATOM 0 HA ALA A 39 6.360 -4.803 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.442 -4.075 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.044 -4.015 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.218 -5.347 1.686 1.00 0.00 H new ATOM 556 N MET A 40 7.945 -5.996 -2.118 1.00 0.00 N ATOM 557 CA MET A 40 8.793 -6.746 -3.037 1.00 0.00 C ATOM 558 C MET A 40 10.241 -6.275 -2.948 1.00 0.00 C ATOM 559 O MET A 40 11.172 -7.059 -3.133 1.00 0.00 O ATOM 560 CB MET A 40 8.284 -6.597 -4.471 1.00 0.00 C ATOM 561 CG MET A 40 6.871 -7.121 -4.672 1.00 0.00 C ATOM 562 SD MET A 40 6.478 -7.415 -6.407 1.00 0.00 S ATOM 563 CE MET A 40 6.768 -5.789 -7.100 1.00 0.00 C ATOM 0 H MET A 40 7.482 -5.188 -2.535 1.00 0.00 H new ATOM 0 HA MET A 40 8.753 -7.797 -2.752 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.316 -5.544 -4.751 1.00 0.00 H new ATOM 0 HB3 MET A 40 8.958 -7.127 -5.144 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.749 -8.049 -4.114 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.160 -6.405 -4.259 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.832 -5.386 -7.487 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.155 -5.127 -6.325 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.494 -5.863 -7.910 1.00 0.00 H new ATOM 573 N TYR A 41 10.424 -4.990 -2.663 1.00 0.00 N ATOM 574 CA TYR A 41 11.759 -4.415 -2.553 1.00 0.00 C ATOM 575 C TYR A 41 11.825 -3.406 -1.410 1.00 0.00 C ATOM 576 O TYR A 41 10.902 -2.616 -1.210 1.00 0.00 O ATOM 577 CB TYR A 41 12.157 -3.740 -3.867 1.00 0.00 C ATOM 578 CG TYR A 41 11.532 -4.376 -5.087 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.141 -5.449 -5.725 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.331 -3.903 -5.603 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.573 -6.033 -6.841 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.755 -4.482 -6.718 1.00 0.00 C ATOM 583 CZ TYR A 41 10.380 -5.546 -7.334 1.00 0.00 C ATOM 584 OH TYR A 41 9.811 -6.125 -8.444 1.00 0.00 O ATOM 0 H TYR A 41 9.665 -4.328 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 41 12.459 -5.224 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.870 -2.689 -3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.242 -3.770 -3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.075 -5.834 -5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.840 -3.069 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.060 -6.866 -7.325 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.820 -4.103 -7.105 1.00 0.00 H new ATOM 0 HH TYR A 41 10.052 -7.074 -8.478 1.00 0.00 H new ATOM 594 N ASP A 42 12.923 -3.439 -0.663 1.00 0.00 N ATOM 595 CA ASP A 42 13.112 -2.527 0.459 1.00 0.00 C ATOM 596 C ASP A 42 12.816 -1.089 0.047 1.00 0.00 C ATOM 597 O ASP A 42 13.350 -0.594 -0.946 1.00 0.00 O ATOM 598 CB ASP A 42 14.540 -2.634 0.996 1.00 0.00 C ATOM 599 CG ASP A 42 15.038 -1.327 1.581 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.313 -0.393 0.799 1.00 0.00 O ATOM 601 OD2 ASP A 42 15.153 -1.237 2.822 1.00 0.00 O ATOM 0 H ASP A 42 13.696 -4.087 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 42 12.414 -2.810 1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.580 -3.410 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.205 -2.945 0.191 1.00 0.00 H new ATOM 606 N TYR A 43 11.961 -0.422 0.815 1.00 0.00 N ATOM 607 CA TYR A 43 11.591 0.958 0.527 1.00 0.00 C ATOM 608 C TYR A 43 12.135 1.902 1.596 1.00 0.00 C ATOM 609 O TYR A 43 12.063 1.612 2.790 1.00 0.00 O ATOM 610 CB TYR A 43 10.070 1.093 0.438 1.00 0.00 C ATOM 611 CG TYR A 43 9.614 2.305 -0.342 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.847 3.590 0.134 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.950 2.167 -1.555 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.432 4.701 -0.575 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.533 3.272 -2.271 1.00 0.00 C ATOM 616 CZ TYR A 43 8.776 4.536 -1.777 1.00 0.00 C ATOM 617 OH TYR A 43 8.360 5.639 -2.487 1.00 0.00 O ATOM 0 H TYR A 43 11.511 -0.815 1.642 1.00 0.00 H new ATOM 0 HA TYR A 43 12.030 1.232 -0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.661 0.197 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.659 1.144 1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.361 3.722 1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.757 1.178 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.620 5.692 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.019 3.147 -3.213 1.00 0.00 H new ATOM 0 HH TYR A 43 7.387 5.609 -2.597 1.00 0.00 H new ATOM 627 N ALA A 44 12.677 3.033 1.157 1.00 0.00 N ATOM 628 CA ALA A 44 13.231 4.021 2.074 1.00 0.00 C ATOM 629 C ALA A 44 12.557 5.377 1.892 1.00 0.00 C ATOM 630 O ALA A 44 12.844 6.099 0.938 1.00 0.00 O ATOM 631 CB ALA A 44 14.734 4.145 1.873 1.00 0.00 C ATOM 0 H ALA A 44 12.744 3.288 0.172 1.00 0.00 H new ATOM 0 HA ALA A 44 13.039 3.683 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.134 4.887 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.207 3.181 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.940 4.456 0.849 1.00 0.00 H new ATOM 637 N ALA A 45 11.661 5.715 2.813 1.00 0.00 N ATOM 638 CA ALA A 45 10.947 6.985 2.754 1.00 0.00 C ATOM 639 C ALA A 45 11.892 8.157 3.000 1.00 0.00 C ATOM 640 O ALA A 45 12.488 8.271 4.070 1.00 0.00 O ATOM 641 CB ALA A 45 9.811 6.999 3.765 1.00 0.00 C ATOM 0 H ALA A 45 11.412 5.128 3.609 1.00 0.00 H new ATOM 0 HA ALA A 45 10.529 7.093 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.287 7.953 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.116 6.189 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.215 6.865 4.768 1.00 0.00 H new ATOM 702 N GLU A 50 6.406 9.786 3.113 1.00 0.00 N ATOM 703 CA GLU A 50 6.520 8.432 2.584 1.00 0.00 C ATOM 704 C GLU A 50 6.673 7.418 3.714 1.00 0.00 C ATOM 705 O GLU A 50 6.846 7.787 4.876 1.00 0.00 O ATOM 706 CB GLU A 50 7.711 8.332 1.629 1.00 0.00 C ATOM 707 CG GLU A 50 7.540 9.142 0.355 1.00 0.00 C ATOM 708 CD GLU A 50 8.799 9.177 -0.488 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.896 8.985 0.077 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.689 9.396 -1.712 1.00 0.00 O ATOM 0 HA GLU A 50 5.605 8.205 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.610 8.669 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.868 7.286 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.725 8.719 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.252 10.161 0.613 1.00 0.00 H new ATOM 717 N LEU A 51 6.608 6.138 3.365 1.00 0.00 N ATOM 718 CA LEU A 51 6.738 5.069 4.349 1.00 0.00 C ATOM 719 C LEU A 51 8.039 4.298 4.145 1.00 0.00 C ATOM 720 O LEU A 51 8.321 3.814 3.049 1.00 0.00 O ATOM 721 CB LEU A 51 5.547 4.114 4.255 1.00 0.00 C ATOM 722 CG LEU A 51 5.095 3.474 5.568 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.946 2.508 5.323 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.258 2.763 6.243 1.00 0.00 C ATOM 0 H LEU A 51 6.466 5.815 2.408 1.00 0.00 H new ATOM 0 HA LEU A 51 6.755 5.521 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.703 4.658 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.799 3.318 3.554 1.00 0.00 H new ATOM 0 HG LEU A 51 4.743 4.263 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.638 2.062 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.106 3.046 4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.270 1.723 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.918 2.314 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.641 1.984 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.050 3.481 6.454 1.00 0.00 H new ATOM 736 N SER A 52 8.827 4.186 5.210 1.00 0.00 N ATOM 737 CA SER A 52 10.099 3.476 5.148 1.00 0.00 C ATOM 738 C SER A 52 9.948 2.047 5.663 1.00 0.00 C ATOM 739 O SER A 52 9.658 1.826 6.839 1.00 0.00 O ATOM 740 CB SER A 52 11.161 4.215 5.965 1.00 0.00 C ATOM 741 OG SER A 52 10.697 4.487 7.276 1.00 0.00 O ATOM 0 H SER A 52 8.607 4.578 6.126 1.00 0.00 H new ATOM 0 HA SER A 52 10.415 3.438 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.069 3.615 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.423 5.149 5.467 1.00 0.00 H new ATOM 0 HG SER A 52 10.229 3.701 7.627 1.00 0.00 H new ATOM 747 N PHE A 53 10.148 1.081 4.773 1.00 0.00 N ATOM 748 CA PHE A 53 10.034 -0.327 5.135 1.00 0.00 C ATOM 749 C PHE A 53 11.071 -1.166 4.393 1.00 0.00 C ATOM 750 O PHE A 53 11.775 -0.667 3.516 1.00 0.00 O ATOM 751 CB PHE A 53 8.627 -0.843 4.824 1.00 0.00 C ATOM 752 CG PHE A 53 8.179 -0.552 3.420 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.571 0.654 3.109 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.365 -1.484 2.412 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.157 0.926 1.819 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.954 -1.217 1.119 1.00 0.00 C ATOM 757 CZ PHE A 53 7.348 -0.012 0.823 1.00 0.00 C ATOM 0 H PHE A 53 10.390 1.247 3.796 1.00 0.00 H new ATOM 0 HA PHE A 53 10.219 -0.417 6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.599 -1.920 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.921 -0.394 5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.419 1.390 3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.836 -2.429 2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.685 1.870 1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.107 -1.950 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.024 0.197 -0.186 1.00 0.00 H new ATOM 767 N SER A 54 11.159 -2.442 4.754 1.00 0.00 N ATOM 768 CA SER A 54 12.112 -3.349 4.126 1.00 0.00 C ATOM 769 C SER A 54 11.389 -4.438 3.340 1.00 0.00 C ATOM 770 O SER A 54 10.174 -4.601 3.454 1.00 0.00 O ATOM 771 CB SER A 54 13.017 -3.984 5.185 1.00 0.00 C ATOM 772 OG SER A 54 12.270 -4.800 6.070 1.00 0.00 O ATOM 0 H SER A 54 10.582 -2.871 5.478 1.00 0.00 H new ATOM 0 HA SER A 54 12.724 -2.771 3.433 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.788 -4.581 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.527 -3.202 5.748 1.00 0.00 H new ATOM 0 HG SER A 54 11.345 -4.478 6.110 1.00 0.00 H new ATOM 778 N LYS A 55 12.146 -5.183 2.540 1.00 0.00 N ATOM 779 CA LYS A 55 11.580 -6.258 1.734 1.00 0.00 C ATOM 780 C LYS A 55 10.904 -7.302 2.617 1.00 0.00 C ATOM 781 O LYS A 55 11.559 -7.977 3.409 1.00 0.00 O ATOM 782 CB LYS A 55 12.672 -6.919 0.890 1.00 0.00 C ATOM 783 CG LYS A 55 12.175 -8.092 0.062 1.00 0.00 C ATOM 784 CD LYS A 55 13.157 -8.452 -1.040 1.00 0.00 C ATOM 785 CE LYS A 55 12.617 -9.565 -1.926 1.00 0.00 C ATOM 786 NZ LYS A 55 12.511 -10.856 -1.191 1.00 0.00 N ATOM 0 H LYS A 55 13.153 -5.061 2.433 1.00 0.00 H new ATOM 0 HA LYS A 55 10.829 -5.826 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.106 -6.173 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.470 -7.262 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.020 -8.955 0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.208 -7.845 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.364 -7.570 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.103 -8.764 -0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.636 -9.282 -2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.270 -9.691 -2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.254 -11.614 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.425 -11.080 -0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.780 -10.778 -0.455 1.00 0.00 H new ATOM 800 N GLY A 56 9.588 -7.430 2.473 1.00 0.00 N ATOM 801 CA GLY A 56 8.846 -8.395 3.262 1.00 0.00 C ATOM 802 C GLY A 56 8.261 -7.786 4.522 1.00 0.00 C ATOM 803 O GLY A 56 8.020 -8.488 5.503 1.00 0.00 O ATOM 0 H GLY A 56 9.023 -6.882 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.042 -8.813 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.504 -9.221 3.533 1.00 0.00 H new ATOM 807 N GLN A 57 8.035 -6.477 4.494 1.00 0.00 N ATOM 808 CA GLN A 57 7.477 -5.774 5.644 1.00 0.00 C ATOM 809 C GLN A 57 5.970 -5.985 5.732 1.00 0.00 C ATOM 810 O GLN A 57 5.325 -6.357 4.750 1.00 0.00 O ATOM 811 CB GLN A 57 7.790 -4.279 5.556 1.00 0.00 C ATOM 812 CG GLN A 57 7.897 -3.599 6.911 1.00 0.00 C ATOM 813 CD GLN A 57 9.093 -4.076 7.711 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.724 -5.076 7.369 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.411 -3.361 8.784 1.00 0.00 N ATOM 0 H GLN A 57 8.229 -5.882 3.689 1.00 0.00 H new ATOM 0 HA GLN A 57 7.936 -6.182 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.727 -4.144 5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.012 -3.787 4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.967 -2.521 6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.986 -3.786 7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.860 -2.539 9.031 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.206 -3.634 9.361 1.00 0.00 H new ATOM 824 N LEU A 58 5.412 -5.747 6.915 1.00 0.00 N ATOM 825 CA LEU A 58 3.979 -5.912 7.132 1.00 0.00 C ATOM 826 C LEU A 58 3.214 -4.674 6.676 1.00 0.00 C ATOM 827 O LEU A 58 3.224 -3.643 7.350 1.00 0.00 O ATOM 828 CB LEU A 58 3.696 -6.186 8.610 1.00 0.00 C ATOM 829 CG LEU A 58 2.351 -5.686 9.139 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.212 -6.203 8.275 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.158 -6.109 10.588 1.00 0.00 C ATOM 0 H LEU A 58 5.930 -5.439 7.738 1.00 0.00 H new ATOM 0 HA LEU A 58 3.642 -6.763 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.752 -7.262 8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.489 -5.730 9.202 1.00 0.00 H new ATOM 0 HG LEU A 58 2.347 -4.597 9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.263 -5.837 8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.342 -5.850 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.213 -7.293 8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.196 -5.745 10.948 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.183 -7.197 10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.957 -5.689 11.199 1.00 0.00 H new ATOM 843 N ILE A 59 2.549 -4.784 5.531 1.00 0.00 N ATOM 844 CA ILE A 59 1.775 -3.675 4.988 1.00 0.00 C ATOM 845 C ILE A 59 0.335 -4.093 4.709 1.00 0.00 C ATOM 846 O ILE A 59 0.087 -5.150 4.130 1.00 0.00 O ATOM 847 CB ILE A 59 2.402 -3.134 3.689 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.807 -2.593 3.962 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.519 -2.052 3.086 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.684 -2.540 2.731 1.00 0.00 C ATOM 0 H ILE A 59 2.531 -5.630 4.961 1.00 0.00 H new ATOM 0 HA ILE A 59 1.782 -2.887 5.741 1.00 0.00 H new ATOM 0 HB ILE A 59 2.481 -3.952 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.726 -1.591 4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.288 -3.218 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.975 -1.679 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.537 -2.468 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.411 -1.232 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.664 -2.147 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.796 -3.543 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.225 -1.892 1.985 1.00 0.00 H new ATOM 862 N ASN A 60 -0.609 -3.255 5.123 1.00 0.00 N ATOM 863 CA ASN A 60 -2.025 -3.537 4.916 1.00 0.00 C ATOM 864 C ASN A 60 -2.692 -2.420 4.119 1.00 0.00 C ATOM 865 O ASN A 60 -3.000 -1.357 4.658 1.00 0.00 O ATOM 866 CB ASN A 60 -2.733 -3.712 6.261 1.00 0.00 C ATOM 867 CG ASN A 60 -2.114 -4.812 7.102 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.347 -5.634 6.601 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.446 -4.831 8.388 1.00 0.00 N ATOM 0 H ASN A 60 -0.420 -2.375 5.604 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.106 -4.463 4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.696 -2.773 6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.785 -3.939 6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.061 -5.547 9.004 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.086 -4.129 8.760 1.00 0.00 H new ATOM 876 N VAL A 61 -2.912 -2.669 2.832 1.00 0.00 N ATOM 877 CA VAL A 61 -3.544 -1.685 1.961 1.00 0.00 C ATOM 878 C VAL A 61 -4.909 -1.271 2.499 1.00 0.00 C ATOM 879 O VAL A 61 -5.805 -2.100 2.653 1.00 0.00 O ATOM 880 CB VAL A 61 -3.712 -2.230 0.530 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.333 -1.175 -0.373 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.374 -2.696 -0.023 1.00 0.00 C ATOM 0 H VAL A 61 -2.662 -3.543 2.370 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.888 -0.815 1.937 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.384 -3.088 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.444 -1.578 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.312 -0.894 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.689 -0.296 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.512 -3.078 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.677 -1.858 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.973 -3.486 0.612 1.00 0.00 H new ATOM 892 N MET A 62 -5.060 0.019 2.782 1.00 0.00 N ATOM 893 CA MET A 62 -6.318 0.545 3.301 1.00 0.00 C ATOM 894 C MET A 62 -7.101 1.261 2.205 1.00 0.00 C ATOM 895 O MET A 62 -8.329 1.197 2.166 1.00 0.00 O ATOM 896 CB MET A 62 -6.053 1.503 4.464 1.00 0.00 C ATOM 897 CG MET A 62 -5.163 0.913 5.546 1.00 0.00 C ATOM 898 SD MET A 62 -6.102 0.072 6.836 1.00 0.00 S ATOM 899 CE MET A 62 -5.768 1.130 8.242 1.00 0.00 C ATOM 0 H MET A 62 -4.328 0.719 2.661 1.00 0.00 H new ATOM 0 HA MET A 62 -6.914 -0.294 3.660 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.589 2.411 4.078 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.005 1.796 4.907 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.465 0.209 5.093 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.568 1.708 5.995 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.282 0.740 9.121 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.695 1.156 8.431 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.124 2.138 8.031 1.00 0.00 H new ATOM 909 N ASN A 63 -6.383 1.942 1.319 1.00 0.00 N ATOM 910 CA ASN A 63 -7.012 2.671 0.223 1.00 0.00 C ATOM 911 C ASN A 63 -6.183 2.558 -1.052 1.00 0.00 C ATOM 912 O ASN A 63 -5.139 3.197 -1.187 1.00 0.00 O ATOM 913 CB ASN A 63 -7.192 4.143 0.599 1.00 0.00 C ATOM 914 CG ASN A 63 -8.322 4.801 -0.168 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.043 5.204 -1.402 1.00 0.00 O flip ATOM 916 ND2 ASN A 63 -9.433 4.946 0.343 1.00 0.00 N flip ATOM 0 H ASN A 63 -5.365 2.005 1.338 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.991 2.228 0.039 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.389 4.221 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.264 4.681 0.406 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.603 4.621 1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.183 5.391 -0.186 1.00 0.00 H new ATOM 923 N LYS A 64 -6.654 1.740 -1.987 1.00 0.00 N ATOM 924 CA LYS A 64 -5.958 1.544 -3.254 1.00 0.00 C ATOM 925 C LYS A 64 -6.755 2.140 -4.410 1.00 0.00 C ATOM 926 O LYS A 64 -6.903 1.516 -5.461 1.00 0.00 O ATOM 927 CB LYS A 64 -5.718 0.053 -3.502 1.00 0.00 C ATOM 928 CG LYS A 64 -6.996 -0.766 -3.568 1.00 0.00 C ATOM 929 CD LYS A 64 -6.794 -2.052 -4.353 1.00 0.00 C ATOM 930 CE LYS A 64 -6.040 -3.090 -3.537 1.00 0.00 C ATOM 931 NZ LYS A 64 -6.897 -3.694 -2.479 1.00 0.00 N ATOM 0 H LYS A 64 -7.515 1.202 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.997 2.056 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.170 -0.068 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.084 -0.341 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.330 -1.004 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.785 -0.175 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.763 -2.454 -4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.244 -1.838 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.672 -3.875 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.168 -2.626 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.361 -3.754 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.740 -3.103 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.189 -4.648 -2.772 1.00 0.00 H new ATOM 945 N ASP A 65 -7.264 3.351 -4.210 1.00 0.00 N ATOM 946 CA ASP A 65 -8.043 4.032 -5.237 1.00 0.00 C ATOM 947 C ASP A 65 -7.264 4.112 -6.546 1.00 0.00 C ATOM 948 O ASP A 65 -7.791 3.798 -7.614 1.00 0.00 O ATOM 949 CB ASP A 65 -8.424 5.438 -4.769 1.00 0.00 C ATOM 950 CG ASP A 65 -9.294 6.166 -5.774 1.00 0.00 C ATOM 951 OD1 ASP A 65 -9.111 5.944 -6.990 1.00 0.00 O ATOM 952 OD2 ASP A 65 -10.159 6.958 -5.346 1.00 0.00 O ATOM 0 H ASP A 65 -7.151 3.881 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.952 3.456 -5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.951 5.371 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.518 6.017 -4.591 1.00 0.00 H new ATOM 957 N ASP A 66 -6.007 4.534 -6.456 1.00 0.00 N ATOM 958 CA ASP A 66 -5.155 4.655 -7.634 1.00 0.00 C ATOM 959 C ASP A 66 -4.277 3.419 -7.798 1.00 0.00 C ATOM 960 O ASP A 66 -3.572 3.002 -6.879 1.00 0.00 O ATOM 961 CB ASP A 66 -4.283 5.907 -7.531 1.00 0.00 C ATOM 962 CG ASP A 66 -5.101 7.183 -7.503 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.382 7.733 -8.588 1.00 0.00 O ATOM 964 OD2 ASP A 66 -5.461 7.632 -6.394 1.00 0.00 O ATOM 0 H ASP A 66 -5.556 4.798 -5.580 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.797 4.740 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.675 5.849 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.596 5.938 -8.377 1.00 0.00 H new ATOM 969 N PRO A 67 -4.318 2.818 -8.996 1.00 0.00 N ATOM 970 CA PRO A 67 -3.532 1.621 -9.309 1.00 0.00 C ATOM 971 C PRO A 67 -2.039 1.916 -9.399 1.00 0.00 C ATOM 972 O PRO A 67 -1.233 1.017 -9.641 1.00 0.00 O ATOM 973 CB PRO A 67 -4.075 1.187 -10.673 1.00 0.00 C ATOM 974 CG PRO A 67 -4.613 2.436 -11.281 1.00 0.00 C ATOM 975 CD PRO A 67 -5.135 3.262 -10.138 1.00 0.00 C ATOM 0 HA PRO A 67 -3.625 0.858 -8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.290 0.752 -11.291 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.853 0.431 -10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.835 2.971 -11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.406 2.212 -11.995 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.017 4.329 -10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.197 3.085 -9.966 1.00 0.00 H new ATOM 983 N ASP A 68 -1.676 3.179 -9.204 1.00 0.00 N ATOM 984 CA ASP A 68 -0.279 3.591 -9.261 1.00 0.00 C ATOM 985 C ASP A 68 0.338 3.618 -7.866 1.00 0.00 C ATOM 986 O ASP A 68 1.459 3.153 -7.663 1.00 0.00 O ATOM 987 CB ASP A 68 -0.158 4.970 -9.913 1.00 0.00 C ATOM 988 CG ASP A 68 -1.207 5.198 -10.983 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.623 4.211 -11.626 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.612 6.363 -11.179 1.00 0.00 O ATOM 0 H ASP A 68 -2.331 3.935 -9.005 1.00 0.00 H new ATOM 0 HA ASP A 68 0.264 2.863 -9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.251 5.740 -9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.834 5.075 -10.352 1.00 0.00 H new ATOM 995 N TRP A 69 -0.402 4.168 -6.909 1.00 0.00 N ATOM 996 CA TRP A 69 0.073 4.257 -5.533 1.00 0.00 C ATOM 997 C TRP A 69 -0.988 3.760 -4.558 1.00 0.00 C ATOM 998 O TRP A 69 -2.182 3.984 -4.758 1.00 0.00 O ATOM 999 CB TRP A 69 0.458 5.699 -5.197 1.00 0.00 C ATOM 1000 CG TRP A 69 1.855 6.052 -5.608 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.324 6.190 -6.883 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.964 6.312 -4.740 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.658 6.518 -6.860 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.074 6.600 -5.557 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.126 6.330 -3.352 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.327 6.902 -5.031 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.371 6.629 -2.831 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.458 6.912 -3.669 1.00 0.00 C ATOM 0 H TRP A 69 -1.332 4.558 -7.061 1.00 0.00 H new ATOM 0 HA TRP A 69 0.954 3.622 -5.437 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.240 6.377 -5.688 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.352 5.855 -4.123 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.733 6.060 -7.778 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.244 6.675 -7.680 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.294 6.114 -2.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.166 7.121 -5.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.508 6.645 -1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.418 7.143 -3.231 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.546 3.085 -3.503 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.459 2.557 -2.496 1.00 0.00 C ATOM 1021 C TRP A 70 -1.055 3.016 -1.099 1.00 0.00 C ATOM 1022 O TRP A 70 0.071 3.463 -0.886 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.488 1.029 -2.555 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.118 0.495 -3.806 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.996 1.147 -4.624 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.920 -0.803 -4.378 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.356 0.333 -5.671 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.709 -0.868 -5.544 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.152 -1.914 -4.022 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.751 -2.002 -6.351 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.195 -3.039 -4.824 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -1.989 -3.075 -5.978 1.00 0.00 C ATOM 0 H TRP A 70 0.439 2.890 -3.323 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.456 2.941 -2.710 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.469 0.650 -2.480 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.034 0.649 -1.691 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.355 2.154 -4.471 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.000 0.583 -6.421 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.535 -1.894 -3.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.364 -2.033 -7.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.607 -3.905 -4.557 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.000 -3.968 -6.585 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.981 2.903 -0.153 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.719 3.307 1.224 1.00 0.00 C ATOM 1045 C GLN A 71 -1.742 2.103 2.159 1.00 0.00 C ATOM 1046 O GLN A 71 -2.719 1.357 2.203 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.751 4.341 1.679 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.471 4.913 3.059 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.227 6.201 3.321 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.922 6.715 2.445 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -3.094 6.729 4.532 1.00 0.00 N ATOM 0 H GLN A 71 -2.919 2.535 -0.314 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.726 3.754 1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.780 5.156 0.956 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.739 3.880 1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.742 4.177 3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.401 5.096 3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.507 6.268 5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.579 7.595 4.767 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.658 1.919 2.907 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.574 0.804 3.831 1.00 0.00 C ATOM 1062 C GLY A 72 -0.117 1.228 5.212 1.00 0.00 C ATOM 1063 O GLY A 72 0.019 2.419 5.489 1.00 0.00 O ATOM 0 H GLY A 72 0.164 2.523 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.550 0.324 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.117 0.060 3.436 1.00 0.00 H new ATOM 1067 N GLU A 73 0.119 0.251 6.082 1.00 0.00 N ATOM 1068 CA GLU A 73 0.561 0.531 7.443 1.00 0.00 C ATOM 1069 C GLU A 73 1.598 -0.491 7.899 1.00 0.00 C ATOM 1070 O GLU A 73 1.537 -1.663 7.525 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.631 0.526 8.401 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.375 -0.798 8.442 1.00 0.00 C ATOM 1073 CD GLU A 73 -0.837 -1.737 9.504 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -1.145 -1.525 10.695 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -0.107 -2.684 9.144 1.00 0.00 O ATOM 0 H GLU A 73 0.012 -0.741 5.869 1.00 0.00 H new ATOM 0 HA GLU A 73 1.021 1.519 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.280 0.767 9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.325 1.314 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.432 -0.611 8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.305 -1.280 7.467 1.00 0.00 H new ATOM 1082 N ILE A 74 2.550 -0.039 8.710 1.00 0.00 N ATOM 1083 CA ILE A 74 3.599 -0.914 9.218 1.00 0.00 C ATOM 1084 C ILE A 74 3.932 -0.587 10.669 1.00 0.00 C ATOM 1085 O ILE A 74 4.511 0.457 10.964 1.00 0.00 O ATOM 1086 CB ILE A 74 4.882 -0.804 8.372 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.557 -0.988 6.888 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.906 -1.832 8.827 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.552 -0.320 5.964 1.00 0.00 C ATOM 0 H ILE A 74 2.616 0.928 9.029 1.00 0.00 H new ATOM 0 HA ILE A 74 3.218 -1.933 9.156 1.00 0.00 H new ATOM 0 HB ILE A 74 5.308 0.190 8.511 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.522 -2.054 6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.563 -0.587 6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.807 -1.742 8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.155 -1.659 9.874 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.491 -2.834 8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.259 -0.492 4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.571 0.752 6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.544 -0.738 6.134 1.00 0.00 H new ATOM 1101 N ASN A 75 3.562 -1.490 11.573 1.00 0.00 N ATOM 1102 CA ASN A 75 3.823 -1.299 12.995 1.00 0.00 C ATOM 1103 C ASN A 75 3.053 -0.095 13.532 1.00 0.00 C ATOM 1104 O ASN A 75 3.591 0.711 14.290 1.00 0.00 O ATOM 1105 CB ASN A 75 5.321 -1.111 13.239 1.00 0.00 C ATOM 1106 CG ASN A 75 6.032 -2.423 13.507 1.00 0.00 C ATOM 1107 OD1 ASN A 75 6.421 -2.712 14.639 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.206 -3.225 12.463 1.00 0.00 N ATOM 0 H ASN A 75 3.081 -2.360 11.346 1.00 0.00 H new ATOM 0 HA ASN A 75 3.485 -2.190 13.524 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.770 -0.628 12.371 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.467 -0.442 14.087 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.678 -4.121 12.581 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.867 -2.945 11.543 1.00 0.00 H new ATOM 1115 N GLY A 76 1.790 0.019 13.133 1.00 0.00 N ATOM 1116 CA GLY A 76 0.967 1.125 13.584 1.00 0.00 C ATOM 1117 C GLY A 76 1.306 2.425 12.881 1.00 0.00 C ATOM 1118 O GLY A 76 0.758 3.477 13.207 1.00 0.00 O ATOM 0 H GLY A 76 1.322 -0.635 12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.083 0.886 13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.094 1.253 14.659 1.00 0.00 H new ATOM 1122 N VAL A 77 2.215 2.352 11.913 1.00 0.00 N ATOM 1123 CA VAL A 77 2.627 3.532 11.162 1.00 0.00 C ATOM 1124 C VAL A 77 1.951 3.578 9.797 1.00 0.00 C ATOM 1125 O VAL A 77 1.646 2.542 9.206 1.00 0.00 O ATOM 1126 CB VAL A 77 4.155 3.567 10.968 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.540 2.918 9.647 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.668 4.997 11.038 1.00 0.00 C ATOM 0 H VAL A 77 2.679 1.489 11.631 1.00 0.00 H new ATOM 0 HA VAL A 77 2.322 4.401 11.744 1.00 0.00 H new ATOM 0 HB VAL A 77 4.620 2.999 11.774 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.623 2.952 9.527 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.206 1.880 9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.067 3.456 8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.749 5.003 10.899 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.198 5.591 10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.425 5.423 12.011 1.00 0.00 H new ATOM 1138 N THR A 78 1.718 4.789 9.299 1.00 0.00 N ATOM 1139 CA THR A 78 1.077 4.972 8.003 1.00 0.00 C ATOM 1140 C THR A 78 1.883 5.917 7.119 1.00 0.00 C ATOM 1141 O THR A 78 2.557 6.820 7.612 1.00 0.00 O ATOM 1142 CB THR A 78 -0.352 5.525 8.156 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.347 6.663 9.025 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.287 4.461 8.712 1.00 0.00 C ATOM 0 H THR A 78 1.964 5.657 9.774 1.00 0.00 H new ATOM 0 HA THR A 78 1.030 3.990 7.533 1.00 0.00 H new ATOM 0 HB THR A 78 -0.710 5.823 7.170 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.259 7.010 9.115 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.291 4.875 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.312 3.608 8.034 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.930 4.137 9.690 1.00 0.00 H new ATOM 1152 N GLY A 79 1.808 5.703 5.809 1.00 0.00 N ATOM 1153 CA GLY A 79 2.536 6.545 4.877 1.00 0.00 C ATOM 1154 C GLY A 79 2.025 6.413 3.456 1.00 0.00 C ATOM 1155 O GLY A 79 0.832 6.202 3.234 1.00 0.00 O ATOM 0 H GLY A 79 1.256 4.962 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.457 7.585 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.594 6.283 4.905 1.00 0.00 H new ATOM 1159 N LEU A 80 2.928 6.540 2.490 1.00 0.00 N ATOM 1160 CA LEU A 80 2.562 6.435 1.082 1.00 0.00 C ATOM 1161 C LEU A 80 3.612 5.649 0.303 1.00 0.00 C ATOM 1162 O LEU A 80 4.812 5.888 0.444 1.00 0.00 O ATOM 1163 CB LEU A 80 2.396 7.828 0.473 1.00 0.00 C ATOM 1164 CG LEU A 80 1.112 8.573 0.841 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.141 9.991 0.292 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.107 7.823 0.324 1.00 0.00 C ATOM 0 H LEU A 80 3.919 6.716 2.656 1.00 0.00 H new ATOM 0 HA LEU A 80 1.614 5.901 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.246 8.439 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.441 7.736 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 80 1.046 8.628 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.219 10.505 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.993 10.526 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.232 9.959 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.011 8.368 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.047 7.736 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.137 6.827 0.767 1.00 0.00 H new ATOM 1178 N PHE A 81 3.153 4.713 -0.520 1.00 0.00 N ATOM 1179 CA PHE A 81 4.053 3.893 -1.323 1.00 0.00 C ATOM 1180 C PHE A 81 3.374 3.443 -2.613 1.00 0.00 C ATOM 1181 O PHE A 81 2.149 3.346 -2.699 1.00 0.00 O ATOM 1182 CB PHE A 81 4.514 2.672 -0.524 1.00 0.00 C ATOM 1183 CG PHE A 81 3.381 1.863 0.041 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.467 1.246 -0.798 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.230 1.720 1.411 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.424 0.501 -0.281 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.190 0.975 1.933 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.284 0.366 1.086 1.00 0.00 C ATOM 0 H PHE A 81 2.163 4.503 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 81 4.921 4.499 -1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.120 2.034 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.156 3.003 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.571 1.348 -1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.933 2.196 2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.719 0.025 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.085 0.869 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.469 -0.214 1.492 1.00 0.00 H new ATOM 1198 N PRO A 82 4.187 3.163 -3.642 1.00 0.00 N ATOM 1199 CA PRO A 82 3.688 2.719 -4.947 1.00 0.00 C ATOM 1200 C PRO A 82 3.105 1.311 -4.897 1.00 0.00 C ATOM 1201 O PRO A 82 3.592 0.453 -4.161 1.00 0.00 O ATOM 1202 CB PRO A 82 4.935 2.750 -5.834 1.00 0.00 C ATOM 1203 CG PRO A 82 6.075 2.584 -4.889 1.00 0.00 C ATOM 1204 CD PRO A 82 5.656 3.257 -3.611 1.00 0.00 C ATOM 0 HA PRO A 82 2.876 3.350 -5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.914 1.950 -6.574 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.008 3.690 -6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.292 1.529 -4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.982 3.037 -5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.072 2.755 -2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.992 4.293 -3.574 1.00 0.00 H new ATOM 1212 N SER A 83 2.060 1.080 -5.685 1.00 0.00 N ATOM 1213 CA SER A 83 1.408 -0.224 -5.727 1.00 0.00 C ATOM 1214 C SER A 83 2.255 -1.230 -6.502 1.00 0.00 C ATOM 1215 O SER A 83 1.836 -2.363 -6.733 1.00 0.00 O ATOM 1216 CB SER A 83 0.024 -0.106 -6.367 1.00 0.00 C ATOM 1217 OG SER A 83 0.117 0.360 -7.703 1.00 0.00 O ATOM 0 H SER A 83 1.647 1.778 -6.303 1.00 0.00 H new ATOM 0 HA SER A 83 1.297 -0.580 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.471 -1.077 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.593 0.576 -5.783 1.00 0.00 H new ATOM 0 HG SER A 83 -0.729 0.191 -8.168 1.00 0.00 H new ATOM 1223 N ASN A 84 3.450 -0.805 -6.900 1.00 0.00 N ATOM 1224 CA ASN A 84 4.357 -1.667 -7.649 1.00 0.00 C ATOM 1225 C ASN A 84 5.430 -2.251 -6.736 1.00 0.00 C ATOM 1226 O ASN A 84 6.139 -3.185 -7.113 1.00 0.00 O ATOM 1227 CB ASN A 84 5.012 -0.884 -8.789 1.00 0.00 C ATOM 1228 CG ASN A 84 4.001 -0.389 -9.806 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.175 -1.155 -10.301 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.063 0.900 -10.121 1.00 0.00 N ATOM 0 H ASN A 84 3.812 0.131 -6.716 1.00 0.00 H new ATOM 0 HA ASN A 84 3.776 -2.488 -8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.555 -0.033 -8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.745 -1.518 -9.288 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.409 1.291 -10.799 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.765 1.498 -9.685 1.00 0.00 H new ATOM 1237 N TYR A 85 5.544 -1.696 -5.535 1.00 0.00 N ATOM 1238 CA TYR A 85 6.532 -2.161 -4.569 1.00 0.00 C ATOM 1239 C TYR A 85 5.910 -3.148 -3.586 1.00 0.00 C ATOM 1240 O TYR A 85 6.501 -3.472 -2.555 1.00 0.00 O ATOM 1241 CB TYR A 85 7.130 -0.975 -3.809 1.00 0.00 C ATOM 1242 CG TYR A 85 8.366 -0.400 -4.461 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.317 0.129 -5.745 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.584 -0.383 -3.793 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.444 0.655 -6.345 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.717 0.143 -4.385 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.642 0.660 -5.661 1.00 0.00 C ATOM 1248 OH TYR A 85 11.767 1.185 -6.255 1.00 0.00 O ATOM 0 H TYR A 85 4.964 -0.923 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 85 7.325 -2.671 -5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.377 -0.192 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.378 -1.291 -2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.381 0.129 -6.283 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.647 -0.788 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.388 1.060 -7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.656 0.149 -3.851 1.00 0.00 H new ATOM 0 HH TYR A 85 12.526 1.113 -5.639 1.00 0.00 H new ATOM 1258 N VAL A 86 4.712 -3.623 -3.912 1.00 0.00 N ATOM 1259 CA VAL A 86 4.009 -4.575 -3.061 1.00 0.00 C ATOM 1260 C VAL A 86 3.225 -5.583 -3.893 1.00 0.00 C ATOM 1261 O VAL A 86 2.712 -5.256 -4.964 1.00 0.00 O ATOM 1262 CB VAL A 86 3.043 -3.859 -2.098 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.776 -2.790 -1.303 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.875 -3.259 -2.865 1.00 0.00 C ATOM 0 H VAL A 86 4.208 -3.364 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 86 4.767 -5.100 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 86 2.648 -4.592 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.077 -2.295 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.575 -3.252 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.202 -2.056 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.202 -2.757 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.249 -2.538 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.335 -4.051 -3.384 1.00 0.00 H new ATOM 1274 N LYS A 87 3.137 -6.812 -3.395 1.00 0.00 N ATOM 1275 CA LYS A 87 2.414 -7.870 -4.091 1.00 0.00 C ATOM 1276 C LYS A 87 1.395 -8.531 -3.168 1.00 0.00 C ATOM 1277 O LYS A 87 1.698 -8.844 -2.018 1.00 0.00 O ATOM 1278 CB LYS A 87 3.392 -8.919 -4.623 1.00 0.00 C ATOM 1279 CG LYS A 87 2.712 -10.159 -5.179 1.00 0.00 C ATOM 1280 CD LYS A 87 3.603 -10.886 -6.172 1.00 0.00 C ATOM 1281 CE LYS A 87 4.573 -11.822 -5.468 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.238 -12.752 -6.423 1.00 0.00 N ATOM 0 H LYS A 87 3.558 -7.100 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 87 1.881 -7.421 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.004 -8.469 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.067 -9.214 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.454 -10.831 -4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.779 -9.876 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.986 -11.455 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.161 -10.159 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.329 -11.236 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.038 -12.398 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.891 -13.373 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.519 -13.329 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.769 -12.203 -7.129 1.00 0.00 H new