USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=10 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 -115:sc= -3.65! (180deg=-7.63!) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= -0.0183 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.56) USER MOD Single : A 43 TYR OH : rot -87:sc= 0.395 USER MOD Single : A 52 SER OG : rot 40:sc= 0.343 USER MOD Single : A 54 SER OG : rot -75:sc= 0.733 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0327 K(o=-0.033,f=-3.7!) USER MOD Single : A 60 ASN : amide:sc= -3.1 K(o=-3.1,f=-4.2!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0696 (180deg=-0.451) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 75 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.22) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -62:sc= 0.471 USER MOD Single : A 84 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.3!) 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 -8.103 -3.179 3.319 1.00 0.00 N ATOM 468 CA VAL A 34 -8.558 -3.799 2.080 1.00 0.00 C ATOM 469 C VAL A 34 -7.928 -5.175 1.890 1.00 0.00 C ATOM 470 O VAL A 34 -8.603 -6.130 1.504 1.00 0.00 O ATOM 471 CB VAL A 34 -8.227 -2.922 0.858 1.00 0.00 C ATOM 472 CG1 VAL A 34 -8.541 -3.662 -0.432 1.00 0.00 C ATOM 473 CG2 VAL A 34 -8.987 -1.606 0.926 1.00 0.00 C ATOM 0 HA VAL A 34 -9.640 -3.905 2.159 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.160 -2.700 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.301 -3.026 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.947 -4.575 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.601 -3.916 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.741 -0.999 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.059 -1.805 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.706 -1.070 1.833 1.00 0.00 H new ATOM 483 N CYS A 35 -6.632 -5.268 2.163 1.00 0.00 N ATOM 484 CA CYS A 35 -5.909 -6.527 2.022 1.00 0.00 C ATOM 485 C CYS A 35 -4.471 -6.387 2.509 1.00 0.00 C ATOM 486 O CYS A 35 -3.948 -5.278 2.617 1.00 0.00 O ATOM 487 CB CYS A 35 -5.924 -6.987 0.563 1.00 0.00 C ATOM 488 SG CYS A 35 -4.663 -6.204 -0.470 1.00 0.00 S ATOM 0 H CYS A 35 -6.060 -4.487 2.483 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.409 -7.275 2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.784 -8.068 0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.906 -6.781 0.138 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.754 -6.658 -1.685 1.00 0.00 H new ATOM 494 N GLN A 36 -3.838 -7.518 2.803 1.00 0.00 N ATOM 495 CA GLN A 36 -2.461 -7.520 3.281 1.00 0.00 C ATOM 496 C GLN A 36 -1.498 -7.913 2.166 1.00 0.00 C ATOM 497 O GLN A 36 -1.590 -9.007 1.608 1.00 0.00 O ATOM 498 CB GLN A 36 -2.310 -8.479 4.463 1.00 0.00 C ATOM 499 CG GLN A 36 -1.101 -8.185 5.336 1.00 0.00 C ATOM 500 CD GLN A 36 -0.891 -9.230 6.414 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.824 -9.934 6.802 1.00 0.00 O ATOM 502 NE2 GLN A 36 0.338 -9.337 6.904 1.00 0.00 N ATOM 0 H GLN A 36 -4.257 -8.444 2.719 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.216 -6.510 3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.210 -8.431 5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.235 -9.499 4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.210 -8.130 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.223 -7.207 5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.081 -8.733 6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.539 -10.023 7.631 1.00 0.00 H new ATOM 511 N VAL A 37 -0.573 -7.014 1.845 1.00 0.00 N ATOM 512 CA VAL A 37 0.408 -7.267 0.796 1.00 0.00 C ATOM 513 C VAL A 37 1.809 -7.413 1.379 1.00 0.00 C ATOM 514 O VAL A 37 2.023 -7.194 2.572 1.00 0.00 O ATOM 515 CB VAL A 37 0.415 -6.137 -0.250 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.920 -6.074 -0.977 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.736 -4.803 0.408 1.00 0.00 C ATOM 0 H VAL A 37 -0.482 -6.104 2.296 1.00 0.00 H new ATOM 0 HA VAL A 37 0.120 -8.199 0.311 1.00 0.00 H new ATOM 0 HB VAL A 37 1.192 -6.350 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.896 -5.270 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.104 -7.022 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.717 -5.885 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.737 -4.016 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.016 -4.580 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.718 -4.856 0.878 1.00 0.00 H new ATOM 527 N ILE A 38 2.761 -7.785 0.529 1.00 0.00 N ATOM 528 CA ILE A 38 4.143 -7.959 0.960 1.00 0.00 C ATOM 529 C ILE A 38 5.093 -7.118 0.113 1.00 0.00 C ATOM 530 O ILE A 38 5.006 -7.113 -1.115 1.00 0.00 O ATOM 531 CB ILE A 38 4.575 -9.435 0.882 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.615 -9.742 1.961 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.126 -9.754 -0.499 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.562 -11.168 2.464 1.00 0.00 C ATOM 0 H ILE A 38 2.601 -7.971 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 38 4.194 -7.628 1.997 1.00 0.00 H new ATOM 0 HB ILE A 38 3.702 -10.063 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.610 -9.543 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.466 -9.063 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.427 -10.801 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.357 -9.569 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.990 -9.121 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.327 -11.313 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.580 -11.366 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.741 -11.853 1.635 1.00 0.00 H new ATOM 546 N ALA A 39 5.999 -6.410 0.778 1.00 0.00 N ATOM 547 CA ALA A 39 6.968 -5.569 0.086 1.00 0.00 C ATOM 548 C ALA A 39 7.899 -6.405 -0.785 1.00 0.00 C ATOM 549 O ALA A 39 8.552 -7.330 -0.302 1.00 0.00 O ATOM 550 CB ALA A 39 7.772 -4.755 1.090 1.00 0.00 C ATOM 0 H ALA A 39 6.083 -6.402 1.795 1.00 0.00 H new ATOM 0 HA ALA A 39 6.420 -4.887 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.492 -4.132 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.099 -4.121 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.302 -5.429 1.763 1.00 0.00 H new ATOM 556 N MET A 40 7.954 -6.075 -2.071 1.00 0.00 N ATOM 557 CA MET A 40 8.805 -6.797 -3.010 1.00 0.00 C ATOM 558 C MET A 40 10.258 -6.348 -2.881 1.00 0.00 C ATOM 559 O MET A 40 11.180 -7.149 -3.032 1.00 0.00 O ATOM 560 CB MET A 40 8.318 -6.581 -4.443 1.00 0.00 C ATOM 561 CG MET A 40 6.955 -7.194 -4.720 1.00 0.00 C ATOM 562 SD MET A 40 6.629 -7.396 -6.482 1.00 0.00 S ATOM 563 CE MET A 40 6.764 -5.702 -7.048 1.00 0.00 C ATOM 0 H MET A 40 7.419 -5.312 -2.487 1.00 0.00 H new ATOM 0 HA MET A 40 8.748 -7.859 -2.771 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.274 -5.511 -4.646 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.046 -7.007 -5.134 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.891 -8.165 -4.229 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.182 -6.564 -4.281 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.795 -5.363 -7.414 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.082 -5.067 -6.222 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.497 -5.645 -7.853 1.00 0.00 H new ATOM 573 N TYR A 41 10.453 -5.064 -2.602 1.00 0.00 N ATOM 574 CA TYR A 41 11.793 -4.509 -2.456 1.00 0.00 C ATOM 575 C TYR A 41 11.850 -3.521 -1.295 1.00 0.00 C ATOM 576 O TYR A 41 10.864 -2.853 -0.984 1.00 0.00 O ATOM 577 CB TYR A 41 12.226 -3.818 -3.750 1.00 0.00 C ATOM 578 CG TYR A 41 11.612 -4.423 -4.993 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.203 -5.509 -5.625 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.441 -3.907 -5.534 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.647 -6.064 -6.762 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.877 -4.456 -6.669 1.00 0.00 C ATOM 583 CZ TYR A 41 10.483 -5.534 -7.280 1.00 0.00 C ATOM 584 OH TYR A 41 9.925 -6.084 -8.410 1.00 0.00 O ATOM 0 H TYR A 41 9.700 -4.388 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 41 12.477 -5.330 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.955 -2.763 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.312 -3.865 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.113 -5.927 -5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.964 -3.063 -5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.121 -6.907 -7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.966 -4.043 -7.076 1.00 0.00 H new ATOM 0 HH TYR A 41 10.137 -7.040 -8.447 1.00 0.00 H new ATOM 594 N ASP A 42 13.013 -3.433 -0.658 1.00 0.00 N ATOM 595 CA ASP A 42 13.201 -2.526 0.468 1.00 0.00 C ATOM 596 C ASP A 42 12.856 -1.093 0.074 1.00 0.00 C ATOM 597 O ASP A 42 13.348 -0.579 -0.930 1.00 0.00 O ATOM 598 CB ASP A 42 14.644 -2.596 0.971 1.00 0.00 C ATOM 599 CG ASP A 42 14.753 -2.315 2.457 1.00 0.00 C ATOM 600 OD1 ASP A 42 14.209 -1.285 2.907 1.00 0.00 O ATOM 601 OD2 ASP A 42 15.383 -3.125 3.170 1.00 0.00 O ATOM 0 H ASP A 42 13.839 -3.979 -0.902 1.00 0.00 H new ATOM 0 HA ASP A 42 12.530 -2.836 1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.052 -3.585 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.252 -1.877 0.423 1.00 0.00 H new ATOM 606 N TYR A 43 12.007 -0.454 0.872 1.00 0.00 N ATOM 607 CA TYR A 43 11.593 0.918 0.605 1.00 0.00 C ATOM 608 C TYR A 43 12.114 1.864 1.683 1.00 0.00 C ATOM 609 O TYR A 43 12.079 1.547 2.872 1.00 0.00 O ATOM 610 CB TYR A 43 10.068 1.007 0.527 1.00 0.00 C ATOM 611 CG TYR A 43 9.571 2.152 -0.326 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.699 3.468 0.100 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.973 1.918 -1.558 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.246 4.518 -0.676 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.518 2.961 -2.341 1.00 0.00 C ATOM 616 CZ TYR A 43 8.657 4.259 -1.895 1.00 0.00 C ATOM 617 OH TYR A 43 8.204 5.301 -2.672 1.00 0.00 O ATOM 0 H TYR A 43 11.592 -0.864 1.709 1.00 0.00 H new ATOM 0 HA TYR A 43 12.017 1.218 -0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.678 0.071 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.667 1.115 1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.161 3.674 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.862 0.903 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.353 5.535 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.056 2.761 -3.297 1.00 0.00 H new ATOM 0 HH TYR A 43 7.288 5.530 -2.410 1.00 0.00 H new ATOM 627 N ALA A 44 12.597 3.027 1.258 1.00 0.00 N ATOM 628 CA ALA A 44 13.123 4.021 2.186 1.00 0.00 C ATOM 629 C ALA A 44 12.536 5.399 1.904 1.00 0.00 C ATOM 630 O ALA A 44 12.910 6.058 0.935 1.00 0.00 O ATOM 631 CB ALA A 44 14.642 4.066 2.105 1.00 0.00 C ATOM 0 H ALA A 44 12.635 3.304 0.277 1.00 0.00 H new ATOM 0 HA ALA A 44 12.832 3.730 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.022 4.812 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.049 3.088 2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.945 4.330 1.092 1.00 0.00 H new ATOM 637 N ALA A 45 11.613 5.829 2.759 1.00 0.00 N ATOM 638 CA ALA A 45 10.975 7.131 2.602 1.00 0.00 C ATOM 639 C ALA A 45 12.006 8.254 2.619 1.00 0.00 C ATOM 640 O ALA A 45 12.763 8.399 3.577 1.00 0.00 O ATOM 641 CB ALA A 45 9.940 7.346 3.697 1.00 0.00 C ATOM 0 H ALA A 45 11.291 5.295 3.566 1.00 0.00 H new ATOM 0 HA ALA A 45 10.474 7.148 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.471 8.322 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.180 6.567 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.427 7.303 4.671 1.00 0.00 H new ATOM 702 N GLU A 50 6.344 9.655 3.132 1.00 0.00 N ATOM 703 CA GLU A 50 6.417 8.289 2.627 1.00 0.00 C ATOM 704 C GLU A 50 6.624 7.297 3.767 1.00 0.00 C ATOM 705 O GLU A 50 6.908 7.687 4.901 1.00 0.00 O ATOM 706 CB GLU A 50 7.553 8.159 1.610 1.00 0.00 C ATOM 707 CG GLU A 50 7.168 8.597 0.207 1.00 0.00 C ATOM 708 CD GLU A 50 8.371 8.773 -0.700 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.410 8.133 -0.436 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.273 9.551 -1.672 1.00 0.00 O ATOM 0 HA GLU A 50 5.471 8.059 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.401 8.755 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.885 7.121 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.495 7.859 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.618 9.537 0.262 1.00 0.00 H new ATOM 717 N LEU A 51 6.479 6.013 3.460 1.00 0.00 N ATOM 718 CA LEU A 51 6.650 4.963 4.458 1.00 0.00 C ATOM 719 C LEU A 51 7.952 4.202 4.232 1.00 0.00 C ATOM 720 O LEU A 51 8.204 3.695 3.139 1.00 0.00 O ATOM 721 CB LEU A 51 5.466 3.995 4.416 1.00 0.00 C ATOM 722 CG LEU A 51 5.067 3.363 5.750 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.990 2.310 5.542 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.282 2.757 6.438 1.00 0.00 C ATOM 0 H LEU A 51 6.243 5.674 2.527 1.00 0.00 H new ATOM 0 HA LEU A 51 6.693 5.434 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.602 4.526 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.701 3.195 3.714 1.00 0.00 H new ATOM 0 HG LEU A 51 4.662 4.145 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.719 1.872 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.111 2.772 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.367 1.530 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.979 2.312 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.717 1.989 5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.022 3.536 6.623 1.00 0.00 H new ATOM 736 N SER A 52 8.775 4.125 5.273 1.00 0.00 N ATOM 737 CA SER A 52 10.052 3.427 5.187 1.00 0.00 C ATOM 738 C SER A 52 9.929 2.002 5.718 1.00 0.00 C ATOM 739 O SER A 52 9.679 1.788 6.905 1.00 0.00 O ATOM 740 CB SER A 52 11.125 4.184 5.972 1.00 0.00 C ATOM 741 OG SER A 52 10.713 4.414 7.308 1.00 0.00 O ATOM 0 H SER A 52 8.580 4.537 6.185 1.00 0.00 H new ATOM 0 HA SER A 52 10.343 3.382 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.054 3.613 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.334 5.136 5.484 1.00 0.00 H new ATOM 0 HG SER A 52 10.255 3.618 7.651 1.00 0.00 H new ATOM 747 N PHE A 53 10.107 1.029 4.831 1.00 0.00 N ATOM 748 CA PHE A 53 10.016 -0.377 5.208 1.00 0.00 C ATOM 749 C PHE A 53 11.036 -1.214 4.442 1.00 0.00 C ATOM 750 O PHE A 53 11.671 -0.731 3.504 1.00 0.00 O ATOM 751 CB PHE A 53 8.604 -0.906 4.946 1.00 0.00 C ATOM 752 CG PHE A 53 8.122 -0.659 3.545 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.411 -1.556 2.530 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.379 0.471 3.243 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.969 -1.330 1.240 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.934 0.703 1.955 1.00 0.00 C ATOM 757 CZ PHE A 53 7.229 -0.200 0.953 1.00 0.00 C ATOM 0 H PHE A 53 10.315 1.188 3.845 1.00 0.00 H new ATOM 0 HA PHE A 53 10.235 -0.457 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.583 -1.977 5.145 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.913 -0.438 5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.988 -2.442 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.145 1.179 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.202 -2.037 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.357 1.588 1.733 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.881 -0.023 -0.054 1.00 0.00 H new ATOM 767 N SER A 54 11.187 -2.470 4.848 1.00 0.00 N ATOM 768 CA SER A 54 12.133 -3.373 4.204 1.00 0.00 C ATOM 769 C SER A 54 11.401 -4.497 3.477 1.00 0.00 C ATOM 770 O SER A 54 10.215 -4.734 3.708 1.00 0.00 O ATOM 771 CB SER A 54 13.095 -3.961 5.238 1.00 0.00 C ATOM 772 OG SER A 54 14.045 -2.997 5.657 1.00 0.00 O ATOM 0 H SER A 54 10.666 -2.886 5.620 1.00 0.00 H new ATOM 0 HA SER A 54 12.703 -2.801 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.532 -4.320 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.610 -4.822 4.812 1.00 0.00 H new ATOM 0 HG SER A 54 14.714 -2.869 4.952 1.00 0.00 H new ATOM 778 N LYS A 55 12.116 -5.188 2.595 1.00 0.00 N ATOM 779 CA LYS A 55 11.538 -6.288 1.833 1.00 0.00 C ATOM 780 C LYS A 55 10.872 -7.300 2.760 1.00 0.00 C ATOM 781 O LYS A 55 11.503 -7.827 3.675 1.00 0.00 O ATOM 782 CB LYS A 55 12.617 -6.979 0.997 1.00 0.00 C ATOM 783 CG LYS A 55 12.126 -8.225 0.280 1.00 0.00 C ATOM 784 CD LYS A 55 13.238 -8.883 -0.520 1.00 0.00 C ATOM 785 CE LYS A 55 12.693 -9.938 -1.469 1.00 0.00 C ATOM 786 NZ LYS A 55 13.771 -10.561 -2.286 1.00 0.00 N ATOM 0 H LYS A 55 13.098 -5.005 2.390 1.00 0.00 H new ATOM 0 HA LYS A 55 10.779 -5.877 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.001 -6.274 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.451 -7.248 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.732 -8.934 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.304 -7.963 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.777 -8.125 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.956 -9.341 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.179 -10.710 -0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.953 -9.485 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.358 -11.275 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.245 -9.828 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.464 -11.016 -1.658 1.00 0.00 H new ATOM 800 N GLY A 56 9.593 -7.569 2.515 1.00 0.00 N ATOM 801 CA GLY A 56 8.864 -8.518 3.335 1.00 0.00 C ATOM 802 C GLY A 56 8.308 -7.888 4.597 1.00 0.00 C ATOM 803 O GLY A 56 8.188 -8.550 5.627 1.00 0.00 O ATOM 0 H GLY A 56 9.049 -7.146 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.045 -8.942 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.524 -9.342 3.605 1.00 0.00 H new ATOM 807 N GLN A 57 7.970 -6.605 4.516 1.00 0.00 N ATOM 808 CA GLN A 57 7.427 -5.885 5.662 1.00 0.00 C ATOM 809 C GLN A 57 5.913 -6.052 5.742 1.00 0.00 C ATOM 810 O GLN A 57 5.249 -6.278 4.729 1.00 0.00 O ATOM 811 CB GLN A 57 7.785 -4.400 5.574 1.00 0.00 C ATOM 812 CG GLN A 57 7.482 -3.625 6.847 1.00 0.00 C ATOM 813 CD GLN A 57 8.610 -3.699 7.857 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.786 -3.673 7.494 1.00 0.00 O ATOM 815 NE2 GLN A 57 8.256 -3.792 9.134 1.00 0.00 N ATOM 0 H GLN A 57 8.062 -6.043 3.670 1.00 0.00 H new ATOM 0 HA GLN A 57 7.868 -6.305 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.846 -4.304 5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.237 -3.951 4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.292 -2.581 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.570 -4.016 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.269 -3.810 9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.972 -3.845 9.859 1.00 0.00 H new ATOM 824 N LEU A 58 5.374 -5.940 6.950 1.00 0.00 N ATOM 825 CA LEU A 58 3.937 -6.078 7.163 1.00 0.00 C ATOM 826 C LEU A 58 3.197 -4.821 6.717 1.00 0.00 C ATOM 827 O LEU A 58 3.239 -3.792 7.393 1.00 0.00 O ATOM 828 CB LEU A 58 3.645 -6.361 8.638 1.00 0.00 C ATOM 829 CG LEU A 58 2.327 -5.804 9.179 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.167 -6.217 8.287 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.097 -6.274 10.608 1.00 0.00 C ATOM 0 H LEU A 58 5.910 -5.754 7.798 1.00 0.00 H new ATOM 0 HA LEU A 58 3.584 -6.916 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.649 -7.441 8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.461 -5.953 9.234 1.00 0.00 H new ATOM 0 HG LEU A 58 2.387 -4.716 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.238 -5.812 8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.327 -5.831 7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.104 -7.305 8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.155 -5.868 10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.057 -7.363 10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.914 -5.928 11.241 1.00 0.00 H new ATOM 843 N ILE A 59 2.518 -4.913 5.579 1.00 0.00 N ATOM 844 CA ILE A 59 1.766 -3.784 5.046 1.00 0.00 C ATOM 845 C ILE A 59 0.348 -4.198 4.668 1.00 0.00 C ATOM 846 O ILE A 59 0.142 -5.221 4.017 1.00 0.00 O ATOM 847 CB ILE A 59 2.459 -3.179 3.810 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.809 -2.574 4.201 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.568 -2.127 3.166 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.809 -2.548 3.067 1.00 0.00 C ATOM 0 H ILE A 59 2.473 -5.757 5.008 1.00 0.00 H new ATOM 0 HA ILE A 59 1.725 -3.032 5.834 1.00 0.00 H new ATOM 0 HB ILE A 59 2.634 -3.973 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.652 -1.557 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.227 -3.144 5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.071 -1.709 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.628 -2.585 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.366 -1.332 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.743 -2.106 3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.995 -3.565 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.411 -1.953 2.245 1.00 0.00 H new ATOM 862 N ASN A 60 -0.627 -3.393 5.079 1.00 0.00 N ATOM 863 CA ASN A 60 -2.027 -3.675 4.782 1.00 0.00 C ATOM 864 C ASN A 60 -2.662 -2.522 4.011 1.00 0.00 C ATOM 865 O ASN A 60 -2.874 -1.439 4.555 1.00 0.00 O ATOM 866 CB ASN A 60 -2.803 -3.927 6.076 1.00 0.00 C ATOM 867 CG ASN A 60 -2.605 -5.334 6.606 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.635 -5.613 7.311 1.00 0.00 O ATOM 869 ND2 ASN A 60 -3.525 -6.229 6.266 1.00 0.00 N ATOM 0 H ASN A 60 -0.473 -2.541 5.618 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.068 -4.570 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.485 -3.209 6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.865 -3.755 5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.444 -7.192 6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.313 -5.953 5.680 1.00 0.00 H new ATOM 876 N VAL A 61 -2.964 -2.764 2.739 1.00 0.00 N ATOM 877 CA VAL A 61 -3.577 -1.748 1.892 1.00 0.00 C ATOM 878 C VAL A 61 -4.943 -1.335 2.430 1.00 0.00 C ATOM 879 O VAL A 61 -5.852 -2.157 2.540 1.00 0.00 O ATOM 880 CB VAL A 61 -3.737 -2.246 0.443 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.284 -1.139 -0.445 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.410 -2.762 -0.092 1.00 0.00 C ATOM 0 H VAL A 61 -2.794 -3.655 2.273 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.911 -0.886 1.900 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.451 -3.070 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.390 -1.509 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.257 -0.820 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.597 -0.293 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.541 -3.110 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.673 -1.959 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.063 -3.587 0.530 1.00 0.00 H new ATOM 892 N MET A 62 -5.080 -0.055 2.762 1.00 0.00 N ATOM 893 CA MET A 62 -6.336 0.467 3.286 1.00 0.00 C ATOM 894 C MET A 62 -7.009 1.385 2.271 1.00 0.00 C ATOM 895 O MET A 62 -8.236 1.440 2.188 1.00 0.00 O ATOM 896 CB MET A 62 -6.092 1.225 4.593 1.00 0.00 C ATOM 897 CG MET A 62 -5.119 0.526 5.528 1.00 0.00 C ATOM 898 SD MET A 62 -4.581 1.582 6.887 1.00 0.00 S ATOM 899 CE MET A 62 -5.971 1.429 8.006 1.00 0.00 C ATOM 0 H MET A 62 -4.337 0.639 2.677 1.00 0.00 H new ATOM 0 HA MET A 62 -6.998 -0.377 3.481 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.710 2.219 4.361 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.043 1.361 5.107 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.590 -0.369 5.933 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.248 0.198 4.961 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.787 2.028 8.898 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.876 1.782 7.512 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.096 0.384 8.290 1.00 0.00 H new ATOM 909 N ASN A 63 -6.199 2.104 1.501 1.00 0.00 N ATOM 910 CA ASN A 63 -6.717 3.020 0.491 1.00 0.00 C ATOM 911 C ASN A 63 -5.913 2.917 -0.801 1.00 0.00 C ATOM 912 O ASN A 63 -4.781 3.395 -0.881 1.00 0.00 O ATOM 913 CB ASN A 63 -6.684 4.458 1.012 1.00 0.00 C ATOM 914 CG ASN A 63 -7.970 4.848 1.714 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.995 5.034 2.931 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.047 4.975 0.948 1.00 0.00 N ATOM 0 H ASN A 63 -5.181 2.070 1.557 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.749 2.741 0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.848 4.573 1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.507 5.139 0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.941 5.236 1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.981 4.811 -0.057 1.00 0.00 H new ATOM 923 N LYS A 64 -6.506 2.290 -1.812 1.00 0.00 N ATOM 924 CA LYS A 64 -5.847 2.125 -3.102 1.00 0.00 C ATOM 925 C LYS A 64 -6.638 2.815 -4.209 1.00 0.00 C ATOM 926 O LYS A 64 -6.744 2.300 -5.322 1.00 0.00 O ATOM 927 CB LYS A 64 -5.684 0.638 -3.428 1.00 0.00 C ATOM 928 CG LYS A 64 -6.997 -0.124 -3.465 1.00 0.00 C ATOM 929 CD LYS A 64 -6.861 -1.433 -4.224 1.00 0.00 C ATOM 930 CE LYS A 64 -6.870 -1.208 -5.729 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.185 -0.697 -6.205 1.00 0.00 N ATOM 0 H LYS A 64 -7.442 1.888 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.862 2.588 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.189 0.539 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.029 0.181 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.330 -0.326 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.763 0.492 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.934 -1.928 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.678 -2.100 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.087 -0.498 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.638 -2.144 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.284 -0.888 -7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.951 -1.174 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.240 0.328 -6.038 1.00 0.00 H new ATOM 945 N ASP A 65 -7.189 3.983 -3.896 1.00 0.00 N ATOM 946 CA ASP A 65 -7.967 4.745 -4.865 1.00 0.00 C ATOM 947 C ASP A 65 -7.226 4.853 -6.194 1.00 0.00 C ATOM 948 O ASP A 65 -7.822 4.720 -7.262 1.00 0.00 O ATOM 949 CB ASP A 65 -8.272 6.141 -4.321 1.00 0.00 C ATOM 950 CG ASP A 65 -7.032 6.845 -3.807 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.626 6.568 -2.659 1.00 0.00 O ATOM 952 OD2 ASP A 65 -6.468 7.673 -4.552 1.00 0.00 O ATOM 0 H ASP A 65 -7.111 4.422 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.905 4.217 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.728 6.743 -5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.002 6.062 -3.515 1.00 0.00 H new ATOM 957 N ASP A 66 -5.922 5.097 -6.119 1.00 0.00 N ATOM 958 CA ASP A 66 -5.098 5.223 -7.316 1.00 0.00 C ATOM 959 C ASP A 66 -4.342 3.928 -7.595 1.00 0.00 C ATOM 960 O ASP A 66 -3.655 3.383 -6.732 1.00 0.00 O ATOM 961 CB ASP A 66 -4.110 6.381 -7.160 1.00 0.00 C ATOM 962 CG ASP A 66 -4.781 7.735 -7.281 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.828 7.820 -7.957 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.260 8.708 -6.698 1.00 0.00 O ATOM 0 H ASP A 66 -5.413 5.211 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.756 5.427 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.619 6.308 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.332 6.295 -7.918 1.00 0.00 H new ATOM 969 N PRO A 67 -4.473 3.421 -8.830 1.00 0.00 N ATOM 970 CA PRO A 67 -3.811 2.183 -9.252 1.00 0.00 C ATOM 971 C PRO A 67 -2.300 2.346 -9.373 1.00 0.00 C ATOM 972 O PRO A 67 -1.594 1.413 -9.756 1.00 0.00 O ATOM 973 CB PRO A 67 -4.430 1.899 -10.623 1.00 0.00 C ATOM 974 CG PRO A 67 -4.867 3.232 -11.124 1.00 0.00 C ATOM 975 CD PRO A 67 -5.277 4.017 -9.910 1.00 0.00 C ATOM 0 HA PRO A 67 -3.953 1.379 -8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.706 1.440 -11.297 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.271 1.211 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.059 3.732 -11.657 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.697 3.133 -11.823 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.066 5.080 -10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.345 3.924 -9.714 1.00 0.00 H new ATOM 983 N ASP A 68 -1.810 3.536 -9.043 1.00 0.00 N ATOM 984 CA ASP A 68 -0.381 3.821 -9.113 1.00 0.00 C ATOM 985 C ASP A 68 0.268 3.687 -7.739 1.00 0.00 C ATOM 986 O ASP A 68 1.299 3.031 -7.590 1.00 0.00 O ATOM 987 CB ASP A 68 -0.147 5.227 -9.667 1.00 0.00 C ATOM 988 CG ASP A 68 -1.183 5.622 -10.701 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.200 5.008 -11.788 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.976 6.546 -10.423 1.00 0.00 O ATOM 0 H ASP A 68 -2.381 4.319 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 68 0.077 3.094 -9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.164 5.945 -8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.846 5.278 -10.114 1.00 0.00 H new ATOM 995 N TRP A 69 -0.342 4.313 -6.739 1.00 0.00 N ATOM 996 CA TRP A 69 0.178 4.265 -5.377 1.00 0.00 C ATOM 997 C TRP A 69 -0.874 3.729 -4.412 1.00 0.00 C ATOM 998 O TRP A 69 -2.068 3.971 -4.585 1.00 0.00 O ATOM 999 CB TRP A 69 0.633 5.656 -4.934 1.00 0.00 C ATOM 1000 CG TRP A 69 2.030 5.989 -5.363 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.477 6.152 -6.643 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.162 6.197 -4.512 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.818 6.449 -6.639 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.262 6.483 -5.344 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.353 6.171 -3.128 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.533 6.740 -4.835 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.615 6.426 -2.624 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.691 6.708 -3.476 1.00 0.00 C ATOM 0 H TRP A 69 -1.197 4.859 -6.845 1.00 0.00 H new ATOM 0 HA TRP A 69 1.034 3.590 -5.364 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.051 6.401 -5.340 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.568 5.723 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.866 6.061 -7.529 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.390 6.617 -7.466 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.529 5.955 -2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.364 6.957 -5.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.774 6.408 -1.556 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.665 6.904 -3.052 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.422 3.001 -3.397 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.326 2.431 -2.405 1.00 0.00 C ATOM 1021 C TRP A 70 -0.942 2.878 -0.999 1.00 0.00 C ATOM 1022 O TRP A 70 0.200 3.265 -0.752 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.311 0.904 -2.489 1.00 0.00 C ATOM 1024 CG TRP A 70 -1.979 0.370 -3.720 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.838 1.041 -4.542 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.845 -0.947 -4.266 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.246 0.221 -5.567 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.650 -1.003 -5.421 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.121 -2.082 -3.893 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.750 -2.151 -6.202 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.222 -3.221 -4.670 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.030 -3.248 -5.814 1.00 0.00 C ATOM 0 H TRP A 70 0.564 2.792 -3.240 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.333 2.790 -2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.278 0.556 -2.465 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.806 0.494 -1.609 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.151 2.066 -4.407 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.888 0.482 -6.315 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.494 -2.070 -3.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.374 -2.175 -7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.668 -4.105 -4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.086 -4.153 -6.401 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.903 2.823 -0.082 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.663 3.223 1.300 1.00 0.00 C ATOM 1045 C GLN A 71 -1.726 2.020 2.234 1.00 0.00 C ATOM 1046 O GLN A 71 -2.739 1.325 2.301 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.687 4.274 1.733 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.516 4.733 3.172 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.266 6.017 3.468 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.074 6.477 2.661 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -3.001 6.603 4.630 1.00 0.00 N ATOM 0 H GLN A 71 -2.854 2.506 -0.271 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.663 3.653 1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.610 5.138 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.690 3.866 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.866 3.949 3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.456 4.880 3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.324 6.186 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.475 7.470 4.884 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.635 1.779 2.956 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.587 0.658 3.876 1.00 0.00 C ATOM 1062 C GLY A 72 -0.168 1.073 5.273 1.00 0.00 C ATOM 1063 O GLY A 72 0.061 2.253 5.534 1.00 0.00 O ATOM 0 H GLY A 72 0.216 2.340 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.568 0.185 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.110 -0.089 3.498 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.068 0.099 6.173 1.00 0.00 N ATOM 1068 CA GLU A 73 0.325 0.371 7.551 1.00 0.00 C ATOM 1069 C GLU A 73 1.430 -0.581 7.999 1.00 0.00 C ATOM 1070 O GLU A 73 1.506 -1.721 7.539 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.882 0.244 8.482 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.486 -1.150 8.510 1.00 0.00 C ATOM 1073 CD GLU A 73 -0.896 -2.020 9.602 1.00 0.00 C ATOM 1074 OE1 GLU A 73 0.131 -2.682 9.343 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -1.459 -2.039 10.717 1.00 0.00 O ATOM 0 H GLU A 73 -0.253 -0.884 5.973 1.00 0.00 H new ATOM 0 HA GLU A 73 0.707 1.391 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.581 0.521 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.647 0.956 8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.563 -1.072 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.328 -1.630 7.544 1.00 0.00 H new ATOM 1082 N ILE A 74 2.284 -0.105 8.899 1.00 0.00 N ATOM 1083 CA ILE A 74 3.384 -0.913 9.410 1.00 0.00 C ATOM 1084 C ILE A 74 3.697 -0.560 10.860 1.00 0.00 C ATOM 1085 O ILE A 74 4.281 0.485 11.143 1.00 0.00 O ATOM 1086 CB ILE A 74 4.657 -0.731 8.563 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.324 -0.837 7.073 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.704 -1.764 8.952 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.440 -0.364 6.169 1.00 0.00 C ATOM 0 H ILE A 74 2.235 0.836 9.289 1.00 0.00 H new ATOM 0 HA ILE A 74 3.065 -1.954 9.352 1.00 0.00 H new ATOM 0 HB ILE A 74 5.065 0.261 8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.089 -1.874 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.428 -0.252 6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.598 -1.623 8.345 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.958 -1.645 10.005 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.307 -2.765 8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.134 -0.468 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.660 0.683 6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.332 -0.965 6.347 1.00 0.00 H new ATOM 1101 N ASN A 75 3.307 -1.441 11.775 1.00 0.00 N ATOM 1102 CA ASN A 75 3.547 -1.224 13.197 1.00 0.00 C ATOM 1103 C ASN A 75 2.791 0.004 13.695 1.00 0.00 C ATOM 1104 O ASN A 75 3.365 0.880 14.342 1.00 0.00 O ATOM 1105 CB ASN A 75 5.045 -1.057 13.463 1.00 0.00 C ATOM 1106 CG ASN A 75 5.732 -2.378 13.749 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.283 -3.155 14.592 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.828 -2.639 13.046 1.00 0.00 N ATOM 0 H ASN A 75 2.823 -2.312 11.557 1.00 0.00 H new ATOM 0 HA ASN A 75 3.183 -2.097 13.739 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.514 -0.586 12.599 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.188 -0.385 14.309 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.333 -3.512 13.195 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.164 -1.966 12.357 1.00 0.00 H new ATOM 1115 N GLY A 76 1.498 0.061 13.390 1.00 0.00 N ATOM 1116 CA GLY A 76 0.684 1.184 13.815 1.00 0.00 C ATOM 1117 C GLY A 76 1.045 2.467 13.093 1.00 0.00 C ATOM 1118 O GLY A 76 0.577 3.546 13.456 1.00 0.00 O ATOM 0 H GLY A 76 1.000 -0.651 12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.367 0.955 13.638 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.803 1.329 14.889 1.00 0.00 H new ATOM 1122 N VAL A 77 1.882 2.352 12.067 1.00 0.00 N ATOM 1123 CA VAL A 77 2.307 3.511 11.292 1.00 0.00 C ATOM 1124 C VAL A 77 1.661 3.516 9.911 1.00 0.00 C ATOM 1125 O VAL A 77 1.372 2.461 9.344 1.00 0.00 O ATOM 1126 CB VAL A 77 3.838 3.549 11.130 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.261 2.806 9.872 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.335 4.986 11.102 1.00 0.00 C ATOM 0 H VAL A 77 2.280 1.467 11.753 1.00 0.00 H new ATOM 0 HA VAL A 77 1.986 4.394 11.844 1.00 0.00 H new ATOM 0 HB VAL A 77 4.289 3.049 11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.346 2.844 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.938 1.767 9.937 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.802 3.274 9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.419 4.994 10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.877 5.513 10.265 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.065 5.482 12.034 1.00 0.00 H new ATOM 1138 N THR A 78 1.436 4.711 9.372 1.00 0.00 N ATOM 1139 CA THR A 78 0.823 4.853 8.058 1.00 0.00 C ATOM 1140 C THR A 78 1.599 5.842 7.194 1.00 0.00 C ATOM 1141 O THR A 78 2.067 6.871 7.680 1.00 0.00 O ATOM 1142 CB THR A 78 -0.640 5.322 8.167 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.701 6.584 8.842 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.481 4.300 8.916 1.00 0.00 C ATOM 0 H THR A 78 1.670 5.594 9.826 1.00 0.00 H new ATOM 0 HA THR A 78 0.846 3.869 7.590 1.00 0.00 H new ATOM 0 HB THR A 78 -1.040 5.430 7.159 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.634 6.876 8.906 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.510 4.653 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.456 3.349 8.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.080 4.165 9.921 1.00 0.00 H new ATOM 1152 N GLY A 79 1.730 5.524 5.910 1.00 0.00 N ATOM 1153 CA GLY A 79 2.449 6.395 4.999 1.00 0.00 C ATOM 1154 C GLY A 79 1.958 6.272 3.571 1.00 0.00 C ATOM 1155 O GLY A 79 0.765 6.086 3.330 1.00 0.00 O ATOM 0 H GLY A 79 1.351 4.678 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.342 7.428 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.512 6.157 5.036 1.00 0.00 H new ATOM 1159 N LEU A 80 2.880 6.378 2.619 1.00 0.00 N ATOM 1160 CA LEU A 80 2.534 6.279 1.205 1.00 0.00 C ATOM 1161 C LEU A 80 3.595 5.495 0.439 1.00 0.00 C ATOM 1162 O LEU A 80 4.793 5.706 0.625 1.00 0.00 O ATOM 1163 CB LEU A 80 2.379 7.675 0.599 1.00 0.00 C ATOM 1164 CG LEU A 80 1.134 8.456 1.022 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.196 9.883 0.502 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.126 7.760 0.525 1.00 0.00 C ATOM 0 H LEU A 80 3.872 6.532 2.801 1.00 0.00 H new ATOM 0 HA LEU A 80 1.586 5.747 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.259 8.263 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.372 7.579 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 80 1.102 8.489 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.302 10.423 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.078 10.379 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.253 9.871 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.002 8.329 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.101 7.696 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.178 6.756 0.947 1.00 0.00 H new ATOM 1178 N PHE A 81 3.145 4.590 -0.424 1.00 0.00 N ATOM 1179 CA PHE A 81 4.055 3.775 -1.220 1.00 0.00 C ATOM 1180 C PHE A 81 3.398 3.345 -2.528 1.00 0.00 C ATOM 1181 O PHE A 81 2.175 3.256 -2.638 1.00 0.00 O ATOM 1182 CB PHE A 81 4.494 2.542 -0.428 1.00 0.00 C ATOM 1183 CG PHE A 81 3.348 1.744 0.124 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.455 1.111 -0.726 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.162 1.628 1.492 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.399 0.375 -0.222 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.108 0.894 2.002 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.224 0.268 1.144 1.00 0.00 C ATOM 0 H PHE A 81 2.156 4.403 -0.590 1.00 0.00 H new ATOM 0 HA PHE A 81 4.931 4.379 -1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.095 1.901 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.136 2.858 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.586 1.194 -1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.848 2.117 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.712 -0.116 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.975 0.810 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.398 -0.304 1.541 1.00 0.00 H new ATOM 1198 N PRO A 82 4.228 3.073 -3.546 1.00 0.00 N ATOM 1199 CA PRO A 82 3.751 2.648 -4.865 1.00 0.00 C ATOM 1200 C PRO A 82 3.160 1.243 -4.843 1.00 0.00 C ATOM 1201 O PRO A 82 3.617 0.378 -4.095 1.00 0.00 O ATOM 1202 CB PRO A 82 5.015 2.683 -5.727 1.00 0.00 C ATOM 1203 CG PRO A 82 6.136 2.498 -4.764 1.00 0.00 C ATOM 1204 CD PRO A 82 5.697 3.158 -3.486 1.00 0.00 C ATOM 0 HA PRO A 82 2.949 3.287 -5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.004 1.893 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.104 3.629 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.344 1.440 -4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.053 2.950 -5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.094 2.643 -2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.038 4.192 -3.430 1.00 0.00 H new ATOM 1212 N SER A 83 2.141 1.022 -5.667 1.00 0.00 N ATOM 1213 CA SER A 83 1.484 -0.279 -5.739 1.00 0.00 C ATOM 1214 C SER A 83 2.335 -1.274 -6.522 1.00 0.00 C ATOM 1215 O SER A 83 1.913 -2.400 -6.780 1.00 0.00 O ATOM 1216 CB SER A 83 0.108 -0.143 -6.392 1.00 0.00 C ATOM 1217 OG SER A 83 0.222 0.280 -7.740 1.00 0.00 O ATOM 0 H SER A 83 1.752 1.726 -6.294 1.00 0.00 H new ATOM 0 HA SER A 83 1.361 -0.653 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.414 -1.099 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.494 0.573 -5.833 1.00 0.00 H new ATOM 0 HG SER A 83 0.635 1.168 -7.770 1.00 0.00 H new ATOM 1223 N ASN A 84 3.537 -0.848 -6.898 1.00 0.00 N ATOM 1224 CA ASN A 84 4.449 -1.701 -7.652 1.00 0.00 C ATOM 1225 C ASN A 84 5.534 -2.274 -6.746 1.00 0.00 C ATOM 1226 O ASN A 84 6.315 -3.131 -7.160 1.00 0.00 O ATOM 1227 CB ASN A 84 5.089 -0.912 -8.797 1.00 0.00 C ATOM 1228 CG ASN A 84 6.369 -0.218 -8.375 1.00 0.00 C ATOM 1229 OD1 ASN A 84 7.359 -0.868 -8.040 1.00 0.00 O ATOM 1230 ND2 ASN A 84 6.355 1.110 -8.390 1.00 0.00 N ATOM 0 H ASN A 84 3.902 0.082 -6.693 1.00 0.00 H new ATOM 0 HA ASN A 84 3.873 -2.528 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.301 -1.587 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.380 -0.170 -9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.188 1.632 -8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.512 1.608 -8.675 1.00 0.00 H new ATOM 1237 N TYR A 85 5.575 -1.796 -5.507 1.00 0.00 N ATOM 1238 CA TYR A 85 6.565 -2.258 -4.542 1.00 0.00 C ATOM 1239 C TYR A 85 5.959 -3.286 -3.590 1.00 0.00 C ATOM 1240 O TYR A 85 6.539 -3.606 -2.552 1.00 0.00 O ATOM 1241 CB TYR A 85 7.123 -1.077 -3.746 1.00 0.00 C ATOM 1242 CG TYR A 85 8.344 -0.445 -4.377 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.265 0.183 -5.613 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.576 -0.477 -3.735 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.378 0.761 -6.193 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.694 0.100 -4.307 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.590 0.717 -5.536 1.00 0.00 C ATOM 1248 OH TYR A 85 11.701 1.292 -6.110 1.00 0.00 O ATOM 0 H TYR A 85 4.934 -1.089 -5.148 1.00 0.00 H new ATOM 0 HA TYR A 85 7.377 -2.733 -5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.345 -0.320 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.377 -1.414 -2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.317 0.220 -6.130 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.661 -0.961 -2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.299 1.245 -7.155 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.644 0.068 -3.794 1.00 0.00 H new ATOM 0 HH TYR A 85 12.473 1.175 -5.518 1.00 0.00 H new ATOM 1258 N VAL A 86 4.788 -3.800 -3.953 1.00 0.00 N ATOM 1259 CA VAL A 86 4.103 -4.793 -3.134 1.00 0.00 C ATOM 1260 C VAL A 86 3.318 -5.772 -3.999 1.00 0.00 C ATOM 1261 O VAL A 86 2.908 -5.443 -5.113 1.00 0.00 O ATOM 1262 CB VAL A 86 3.143 -4.127 -2.131 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.878 -3.090 -1.295 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.964 -3.498 -2.860 1.00 0.00 C ATOM 0 H VAL A 86 4.294 -3.545 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 86 4.872 -5.335 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 86 2.759 -4.894 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.183 -2.630 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.685 -3.573 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.293 -2.323 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.295 -3.032 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.328 -2.743 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.423 -4.268 -3.410 1.00 0.00 H new ATOM 1274 N LYS A 87 3.112 -6.978 -3.480 1.00 0.00 N ATOM 1275 CA LYS A 87 2.374 -8.007 -4.204 1.00 0.00 C ATOM 1276 C LYS A 87 1.384 -8.714 -3.284 1.00 0.00 C ATOM 1277 O LYS A 87 1.756 -9.212 -2.222 1.00 0.00 O ATOM 1278 CB LYS A 87 3.342 -9.026 -4.810 1.00 0.00 C ATOM 1279 CG LYS A 87 2.670 -10.026 -5.735 1.00 0.00 C ATOM 1280 CD LYS A 87 3.524 -11.268 -5.927 1.00 0.00 C ATOM 1281 CE LYS A 87 4.591 -11.052 -6.989 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.795 -11.893 -6.745 1.00 0.00 N ATOM 0 H LYS A 87 3.446 -7.267 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 87 1.816 -7.524 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.116 -8.495 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.840 -9.566 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.701 -10.309 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.482 -9.559 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.998 -11.534 -4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.889 -12.107 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.178 -11.285 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.879 -10.001 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.499 -11.717 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.204 -11.654 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.525 -12.897 -6.755 1.00 0.00 H new