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 -110:sc= -3.59 (180deg=-5.49!) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= -0.823 USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0624 USER MOD Single : A 36 GLN : amide:sc= -0.0196 K(o=-0.02,f=-1.3) USER MOD Single : A 43 TYR OH : rot -111:sc= 0.335 USER MOD Single : A 52 SER OG : rot 46:sc= 0.197 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= 0.035 (180deg=-0.14) USER MOD Single : A 57 GLN : amide:sc= -0.249 K(o=-0.25,f=-4.5!) USER MOD Single : A 60 ASN : amide:sc= -1.25 K(o=-1.2,f=-3.5!) USER MOD Single : A 62 MET CE :methyl -167:sc= -0.0906 (180deg=-0.43) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0212 K(o=-0.021,f=-1.5!) USER MOD Single : A 75 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.36) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 172:sc= 0.481 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 -8.432 -3.112 3.271 1.00 0.00 N ATOM 468 CA VAL A 34 -9.056 -3.711 2.098 1.00 0.00 C ATOM 469 C VAL A 34 -8.369 -5.018 1.717 1.00 0.00 C ATOM 470 O VAL A 34 -9.015 -5.958 1.251 1.00 0.00 O ATOM 471 CB VAL A 34 -9.019 -2.754 0.891 1.00 0.00 C ATOM 472 CG1 VAL A 34 -10.032 -1.633 1.068 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.618 -2.193 0.700 1.00 0.00 C ATOM 0 HA VAL A 34 -10.095 -3.912 2.361 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.286 -3.315 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.992 -0.967 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.033 -2.057 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.798 -1.071 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.610 -1.519 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.320 -1.646 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.919 -3.011 0.525 1.00 0.00 H new ATOM 483 N CYS A 35 -7.057 -5.070 1.919 1.00 0.00 N ATOM 484 CA CYS A 35 -6.281 -6.263 1.596 1.00 0.00 C ATOM 485 C CYS A 35 -4.901 -6.204 2.242 1.00 0.00 C ATOM 486 O CYS A 35 -4.516 -5.184 2.814 1.00 0.00 O ATOM 487 CB CYS A 35 -6.142 -6.412 0.081 1.00 0.00 C ATOM 488 SG CYS A 35 -6.002 -8.124 -0.483 1.00 0.00 S ATOM 0 H CYS A 35 -6.509 -4.301 2.304 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.811 -7.129 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.006 -5.952 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.262 -5.859 -0.248 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.891 -8.147 -1.778 1.00 0.00 H new ATOM 494 N GLN A 36 -4.162 -7.305 2.149 1.00 0.00 N ATOM 495 CA GLN A 36 -2.825 -7.379 2.726 1.00 0.00 C ATOM 496 C GLN A 36 -1.785 -7.683 1.654 1.00 0.00 C ATOM 497 O GLN A 36 -1.927 -8.638 0.889 1.00 0.00 O ATOM 498 CB GLN A 36 -2.777 -8.449 3.819 1.00 0.00 C ATOM 499 CG GLN A 36 -1.494 -8.429 4.633 1.00 0.00 C ATOM 500 CD GLN A 36 -1.355 -9.642 5.533 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.074 -10.629 5.378 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.428 -9.573 6.480 1.00 0.00 N ATOM 0 H GLN A 36 -4.467 -8.158 1.680 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.593 -6.409 3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.625 -8.310 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.891 -9.431 3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.640 -8.383 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.468 -7.525 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.146 -8.735 6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.289 -10.358 7.116 1.00 0.00 H new ATOM 511 N VAL A 37 -0.738 -6.865 1.602 1.00 0.00 N ATOM 512 CA VAL A 37 0.327 -7.048 0.624 1.00 0.00 C ATOM 513 C VAL A 37 1.683 -7.183 1.307 1.00 0.00 C ATOM 514 O VAL A 37 1.810 -6.949 2.509 1.00 0.00 O ATOM 515 CB VAL A 37 0.381 -5.874 -0.372 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.893 -5.818 -1.201 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.607 -4.562 0.364 1.00 0.00 C ATOM 0 H VAL A 37 -0.605 -6.069 2.226 1.00 0.00 H new ATOM 0 HA VAL A 37 0.104 -7.966 0.081 1.00 0.00 H new ATOM 0 HB VAL A 37 1.220 -6.033 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.837 -4.983 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.006 -6.748 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.750 -5.683 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.643 -3.743 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.209 -4.393 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.550 -4.608 0.909 1.00 0.00 H new ATOM 527 N ILE A 38 2.694 -7.562 0.532 1.00 0.00 N ATOM 528 CA ILE A 38 4.042 -7.727 1.063 1.00 0.00 C ATOM 529 C ILE A 38 5.057 -6.942 0.239 1.00 0.00 C ATOM 530 O ILE A 38 5.016 -6.954 -0.991 1.00 0.00 O ATOM 531 CB ILE A 38 4.458 -9.210 1.091 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.473 -9.456 2.209 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.034 -9.624 -0.255 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.427 -10.861 2.768 1.00 0.00 C ATOM 0 H ILE A 38 2.605 -7.760 -0.465 1.00 0.00 H new ATOM 0 HA ILE A 38 4.029 -7.342 2.083 1.00 0.00 H new ATOM 0 HB ILE A 38 3.574 -9.817 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.475 -9.257 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.292 -8.746 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.323 -10.674 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.283 -9.481 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.909 -9.014 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.173 -10.964 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.436 -11.057 3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.638 -11.576 1.973 1.00 0.00 H new ATOM 546 N ALA A 39 5.968 -6.260 0.926 1.00 0.00 N ATOM 547 CA ALA A 39 6.996 -5.472 0.259 1.00 0.00 C ATOM 548 C ALA A 39 7.899 -6.357 -0.593 1.00 0.00 C ATOM 549 O ALA A 39 8.402 -7.378 -0.127 1.00 0.00 O ATOM 550 CB ALA A 39 7.819 -4.703 1.282 1.00 0.00 C ATOM 0 H ALA A 39 6.014 -6.238 1.945 1.00 0.00 H new ATOM 0 HA ALA A 39 6.502 -4.760 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.583 -4.119 0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.168 -4.034 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.297 -5.404 1.966 1.00 0.00 H new ATOM 556 N MET A 40 8.101 -5.958 -1.845 1.00 0.00 N ATOM 557 CA MET A 40 8.945 -6.715 -2.762 1.00 0.00 C ATOM 558 C MET A 40 10.403 -6.284 -2.641 1.00 0.00 C ATOM 559 O MET A 40 11.314 -7.107 -2.738 1.00 0.00 O ATOM 560 CB MET A 40 8.464 -6.530 -4.202 1.00 0.00 C ATOM 561 CG MET A 40 7.113 -7.169 -4.478 1.00 0.00 C ATOM 562 SD MET A 40 6.842 -7.492 -6.232 1.00 0.00 S ATOM 563 CE MET A 40 7.100 -5.858 -6.920 1.00 0.00 C ATOM 0 H MET A 40 7.692 -5.115 -2.247 1.00 0.00 H new ATOM 0 HA MET A 40 8.873 -7.769 -2.495 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.404 -5.464 -4.422 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.203 -6.955 -4.881 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.038 -8.105 -3.924 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.324 -6.515 -4.107 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.150 -5.457 -7.272 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.509 -5.201 -6.153 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.799 -5.921 -7.754 1.00 0.00 H new ATOM 573 N TYR A 41 10.617 -4.990 -2.428 1.00 0.00 N ATOM 574 CA TYR A 41 11.965 -4.450 -2.297 1.00 0.00 C ATOM 575 C TYR A 41 12.062 -3.516 -1.094 1.00 0.00 C ATOM 576 O TYR A 41 11.054 -3.002 -0.610 1.00 0.00 O ATOM 577 CB TYR A 41 12.364 -3.703 -3.570 1.00 0.00 C ATOM 578 CG TYR A 41 11.734 -4.266 -4.825 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.273 -5.379 -5.457 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.599 -3.684 -5.377 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.702 -5.896 -6.604 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.020 -4.195 -6.522 1.00 0.00 C ATOM 583 CZ TYR A 41 10.575 -5.301 -7.132 1.00 0.00 C ATOM 584 OH TYR A 41 10.002 -5.813 -8.273 1.00 0.00 O ATOM 0 H TYR A 41 9.874 -4.296 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 41 12.650 -5.284 -2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.081 -2.655 -3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.449 -3.732 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.154 -5.849 -5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.162 -2.818 -4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.135 -6.761 -7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.138 -3.731 -6.938 1.00 0.00 H new ATOM 0 HH TYR A 41 10.163 -6.779 -8.315 1.00 0.00 H new ATOM 594 N ASP A 42 13.284 -3.300 -0.619 1.00 0.00 N ATOM 595 CA ASP A 42 13.515 -2.427 0.526 1.00 0.00 C ATOM 596 C ASP A 42 13.206 -0.975 0.173 1.00 0.00 C ATOM 597 O ASP A 42 14.026 -0.285 -0.433 1.00 0.00 O ATOM 598 CB ASP A 42 14.963 -2.551 1.004 1.00 0.00 C ATOM 599 CG ASP A 42 15.945 -2.664 -0.145 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.595 -2.247 -1.269 1.00 0.00 O ATOM 601 OD2 ASP A 42 17.064 -3.170 0.080 1.00 0.00 O ATOM 0 H ASP A 42 14.129 -3.717 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 42 12.847 -2.737 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.218 -1.682 1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.057 -3.427 1.646 1.00 0.00 H new ATOM 606 N TYR A 43 12.019 -0.519 0.555 1.00 0.00 N ATOM 607 CA TYR A 43 11.600 0.850 0.276 1.00 0.00 C ATOM 608 C TYR A 43 12.054 1.795 1.383 1.00 0.00 C ATOM 609 O TYR A 43 11.851 1.526 2.566 1.00 0.00 O ATOM 610 CB TYR A 43 10.079 0.919 0.123 1.00 0.00 C ATOM 611 CG TYR A 43 9.601 2.135 -0.637 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.788 3.414 -0.126 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.963 2.007 -1.864 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.352 4.529 -0.816 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.526 3.116 -2.561 1.00 0.00 C ATOM 616 CZ TYR A 43 8.722 4.375 -2.034 1.00 0.00 C ATOM 617 OH TYR A 43 8.287 5.482 -2.725 1.00 0.00 O ATOM 0 H TYR A 43 11.329 -1.077 1.059 1.00 0.00 H new ATOM 0 HA TYR A 43 12.067 1.163 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.733 0.021 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.622 0.917 1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.282 3.538 0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.806 1.023 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.504 5.516 -0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.033 2.998 -3.515 1.00 0.00 H new ATOM 0 HH TYR A 43 7.307 5.504 -2.724 1.00 0.00 H new ATOM 627 N ALA A 44 12.671 2.905 0.988 1.00 0.00 N ATOM 628 CA ALA A 44 13.152 3.893 1.946 1.00 0.00 C ATOM 629 C ALA A 44 12.466 5.239 1.738 1.00 0.00 C ATOM 630 O ALA A 44 12.708 5.922 0.744 1.00 0.00 O ATOM 631 CB ALA A 44 14.662 4.045 1.833 1.00 0.00 C ATOM 0 H ALA A 44 12.849 3.142 0.012 1.00 0.00 H new ATOM 0 HA ALA A 44 12.907 3.541 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.008 4.786 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.140 3.087 2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.920 4.371 0.825 1.00 0.00 H new ATOM 637 N ALA A 45 11.609 5.613 2.682 1.00 0.00 N ATOM 638 CA ALA A 45 10.889 6.878 2.603 1.00 0.00 C ATOM 639 C ALA A 45 11.829 8.059 2.820 1.00 0.00 C ATOM 640 O ALA A 45 12.538 8.123 3.823 1.00 0.00 O ATOM 641 CB ALA A 45 9.758 6.906 3.620 1.00 0.00 C ATOM 0 H ALA A 45 11.396 5.058 3.511 1.00 0.00 H new ATOM 0 HA ALA A 45 10.465 6.965 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.229 7.856 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.065 6.089 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.168 6.792 4.623 1.00 0.00 H new ATOM 702 N GLU A 50 6.375 9.677 2.880 1.00 0.00 N ATOM 703 CA GLU A 50 6.482 8.312 2.377 1.00 0.00 C ATOM 704 C GLU A 50 6.609 7.317 3.527 1.00 0.00 C ATOM 705 O GLU A 50 6.723 7.707 4.691 1.00 0.00 O ATOM 706 CB GLU A 50 7.686 8.183 1.442 1.00 0.00 C ATOM 707 CG GLU A 50 7.509 8.909 0.119 1.00 0.00 C ATOM 708 CD GLU A 50 8.723 8.783 -0.782 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.846 8.659 -0.250 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.550 8.810 -2.019 1.00 0.00 O ATOM 0 HA GLU A 50 5.573 8.084 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.570 8.574 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.871 7.127 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.636 8.510 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.311 9.964 0.311 1.00 0.00 H new ATOM 717 N LEU A 51 6.587 6.032 3.195 1.00 0.00 N ATOM 718 CA LEU A 51 6.699 4.979 4.199 1.00 0.00 C ATOM 719 C LEU A 51 8.012 4.218 4.046 1.00 0.00 C ATOM 720 O LEU A 51 8.328 3.716 2.967 1.00 0.00 O ATOM 721 CB LEU A 51 5.519 4.012 4.086 1.00 0.00 C ATOM 722 CG LEU A 51 5.065 3.353 5.389 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.940 2.365 5.123 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.235 2.661 6.073 1.00 0.00 C ATOM 0 H LEU A 51 6.493 5.693 2.238 1.00 0.00 H new ATOM 0 HA LEU A 51 6.684 5.447 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.673 4.551 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.785 3.227 3.378 1.00 0.00 H new ATOM 0 HG LEU A 51 4.689 4.130 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.630 1.906 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.094 2.888 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.289 1.592 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.893 2.198 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.641 1.895 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.010 3.394 6.299 1.00 0.00 H new ATOM 736 N SER A 52 8.772 4.134 5.133 1.00 0.00 N ATOM 737 CA SER A 52 10.051 3.435 5.119 1.00 0.00 C ATOM 738 C SER A 52 9.895 2.006 5.631 1.00 0.00 C ATOM 739 O SER A 52 9.599 1.783 6.805 1.00 0.00 O ATOM 740 CB SER A 52 11.075 4.185 5.972 1.00 0.00 C ATOM 741 OG SER A 52 10.545 4.496 7.249 1.00 0.00 O ATOM 0 H SER A 52 8.524 4.541 6.035 1.00 0.00 H new ATOM 0 HA SER A 52 10.405 3.397 4.089 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.973 3.578 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.373 5.103 5.465 1.00 0.00 H new ATOM 0 HG SER A 52 10.089 3.709 7.614 1.00 0.00 H new ATOM 747 N PHE A 53 10.095 1.040 4.740 1.00 0.00 N ATOM 748 CA PHE A 53 9.976 -0.368 5.100 1.00 0.00 C ATOM 749 C PHE A 53 11.028 -1.205 4.378 1.00 0.00 C ATOM 750 O PHE A 53 11.720 -0.716 3.485 1.00 0.00 O ATOM 751 CB PHE A 53 8.576 -0.886 4.763 1.00 0.00 C ATOM 752 CG PHE A 53 8.165 -0.620 3.343 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.661 0.617 2.974 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.281 -1.607 2.377 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.282 0.866 1.668 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.904 -1.364 1.070 1.00 0.00 C ATOM 757 CZ PHE A 53 7.403 -0.127 0.715 1.00 0.00 C ATOM 0 H PHE A 53 10.340 1.207 3.764 1.00 0.00 H new ATOM 0 HA PHE A 53 10.140 -0.458 6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.540 -1.960 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.854 -0.422 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.563 1.396 3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.670 -2.577 2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.892 1.835 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.001 -2.141 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.106 0.064 -0.306 1.00 0.00 H new ATOM 767 N SER A 54 11.142 -2.470 4.771 1.00 0.00 N ATOM 768 CA SER A 54 12.112 -3.374 4.165 1.00 0.00 C ATOM 769 C SER A 54 11.411 -4.554 3.497 1.00 0.00 C ATOM 770 O SER A 54 10.323 -4.958 3.907 1.00 0.00 O ATOM 771 CB SER A 54 13.096 -3.882 5.220 1.00 0.00 C ATOM 772 OG SER A 54 13.904 -2.828 5.713 1.00 0.00 O ATOM 0 H SER A 54 10.575 -2.892 5.506 1.00 0.00 H new ATOM 0 HA SER A 54 12.661 -2.821 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.547 -4.339 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.728 -4.658 4.788 1.00 0.00 H new ATOM 0 HG SER A 54 14.523 -3.178 6.387 1.00 0.00 H new ATOM 778 N LYS A 55 12.043 -5.101 2.465 1.00 0.00 N ATOM 779 CA LYS A 55 11.484 -6.235 1.739 1.00 0.00 C ATOM 780 C LYS A 55 10.898 -7.263 2.702 1.00 0.00 C ATOM 781 O LYS A 55 11.595 -7.779 3.574 1.00 0.00 O ATOM 782 CB LYS A 55 12.559 -6.891 0.869 1.00 0.00 C ATOM 783 CG LYS A 55 12.142 -8.235 0.297 1.00 0.00 C ATOM 784 CD LYS A 55 13.149 -8.744 -0.721 1.00 0.00 C ATOM 785 CE LYS A 55 12.819 -10.159 -1.171 1.00 0.00 C ATOM 786 NZ LYS A 55 11.465 -10.244 -1.785 1.00 0.00 N ATOM 0 H LYS A 55 12.944 -4.777 2.112 1.00 0.00 H new ATOM 0 HA LYS A 55 10.683 -5.865 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.811 -6.219 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.464 -7.023 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.042 -8.960 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.163 -8.144 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.162 -8.080 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.149 -8.723 -0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.566 -10.495 -1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.873 -10.834 -0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.477 -10.942 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.775 -10.536 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.197 -9.313 -2.164 1.00 0.00 H new ATOM 800 N GLY A 56 9.611 -7.556 2.537 1.00 0.00 N ATOM 801 CA GLY A 56 8.954 -8.521 3.398 1.00 0.00 C ATOM 802 C GLY A 56 8.376 -7.885 4.647 1.00 0.00 C ATOM 803 O GLY A 56 8.329 -8.512 5.705 1.00 0.00 O ATOM 0 H GLY A 56 9.012 -7.142 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.156 -9.015 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.668 -9.293 3.684 1.00 0.00 H new ATOM 807 N GLN A 57 7.935 -6.637 4.524 1.00 0.00 N ATOM 808 CA GLN A 57 7.360 -5.916 5.652 1.00 0.00 C ATOM 809 C GLN A 57 5.849 -6.120 5.715 1.00 0.00 C ATOM 810 O GLN A 57 5.234 -6.583 4.754 1.00 0.00 O ATOM 811 CB GLN A 57 7.681 -4.424 5.549 1.00 0.00 C ATOM 812 CG GLN A 57 7.394 -3.650 6.825 1.00 0.00 C ATOM 813 CD GLN A 57 8.117 -4.222 8.029 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.657 -5.186 8.643 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.254 -3.630 8.374 1.00 0.00 N ATOM 0 H GLN A 57 7.965 -6.105 3.654 1.00 0.00 H new ATOM 0 HA GLN A 57 7.801 -6.312 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.733 -4.304 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.101 -3.992 4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.690 -2.610 6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.321 -3.654 7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.598 -2.834 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.784 -3.971 9.176 1.00 0.00 H new ATOM 824 N LEU A 58 5.257 -5.772 6.852 1.00 0.00 N ATOM 825 CA LEU A 58 3.818 -5.917 7.041 1.00 0.00 C ATOM 826 C LEU A 58 3.081 -4.655 6.602 1.00 0.00 C ATOM 827 O LEU A 58 3.066 -3.653 7.317 1.00 0.00 O ATOM 828 CB LEU A 58 3.504 -6.220 8.507 1.00 0.00 C ATOM 829 CG LEU A 58 2.162 -5.704 9.027 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.046 -6.043 8.051 1.00 0.00 C ATOM 831 CD2 LEU A 58 1.864 -6.284 10.402 1.00 0.00 C ATOM 0 H LEU A 58 5.751 -5.387 7.657 1.00 0.00 H new ATOM 0 HA LEU A 58 3.478 -6.748 6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.534 -7.300 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.297 -5.795 9.123 1.00 0.00 H new ATOM 0 HG LEU A 58 2.222 -4.619 9.117 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.098 -5.668 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.253 -5.580 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.986 -7.124 7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.905 -5.906 10.756 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.824 -7.371 10.337 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.649 -5.991 11.099 1.00 0.00 H new ATOM 843 N ILE A 59 2.471 -4.713 5.424 1.00 0.00 N ATOM 844 CA ILE A 59 1.729 -3.577 4.891 1.00 0.00 C ATOM 845 C ILE A 59 0.267 -3.937 4.652 1.00 0.00 C ATOM 846 O ILE A 59 -0.039 -4.889 3.935 1.00 0.00 O ATOM 847 CB ILE A 59 2.344 -3.071 3.573 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.757 -2.538 3.815 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.464 -1.994 2.957 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.599 -2.467 2.560 1.00 0.00 C ATOM 0 H ILE A 59 2.476 -5.535 4.820 1.00 0.00 H new ATOM 0 HA ILE A 59 1.787 -2.785 5.637 1.00 0.00 H new ATOM 0 HB ILE A 59 2.406 -3.906 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.691 -1.543 4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.258 -3.176 4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.912 -1.646 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.475 -2.405 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.373 -1.158 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.588 -2.080 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.696 -3.464 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.121 -1.805 1.838 1.00 0.00 H new ATOM 862 N ASN A 60 -0.633 -3.169 5.258 1.00 0.00 N ATOM 863 CA ASN A 60 -2.064 -3.407 5.110 1.00 0.00 C ATOM 864 C ASN A 60 -2.723 -2.283 4.317 1.00 0.00 C ATOM 865 O ASN A 60 -3.008 -1.213 4.854 1.00 0.00 O ATOM 866 CB ASN A 60 -2.726 -3.532 6.484 1.00 0.00 C ATOM 867 CG ASN A 60 -2.730 -4.960 6.996 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.985 -5.809 6.505 1.00 0.00 O ATOM 869 ND2 ASN A 60 -3.571 -5.231 7.987 1.00 0.00 N ATOM 0 H ASN A 60 -0.397 -2.377 5.856 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.197 -4.340 4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.202 -2.895 7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.751 -3.167 6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.618 -6.174 8.372 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.170 -4.496 8.363 1.00 0.00 H new ATOM 876 N VAL A 61 -2.964 -2.534 3.033 1.00 0.00 N ATOM 877 CA VAL A 61 -3.591 -1.544 2.165 1.00 0.00 C ATOM 878 C VAL A 61 -4.946 -1.111 2.714 1.00 0.00 C ATOM 879 O VAL A 61 -5.833 -1.937 2.928 1.00 0.00 O ATOM 880 CB VAL A 61 -3.778 -2.089 0.737 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.307 -1.001 -0.185 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.470 -2.658 0.208 1.00 0.00 C ATOM 0 H VAL A 61 -2.734 -3.414 2.572 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.924 -0.683 2.133 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.512 -2.894 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.433 -1.405 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.268 -0.645 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.600 -0.172 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.621 -3.039 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.713 -1.874 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.138 -3.469 0.856 1.00 0.00 H new ATOM 892 N MET A 62 -5.098 0.189 2.941 1.00 0.00 N ATOM 893 CA MET A 62 -6.346 0.732 3.464 1.00 0.00 C ATOM 894 C MET A 62 -7.128 1.450 2.368 1.00 0.00 C ATOM 895 O MET A 62 -8.356 1.386 2.326 1.00 0.00 O ATOM 896 CB MET A 62 -6.064 1.695 4.619 1.00 0.00 C ATOM 897 CG MET A 62 -5.160 1.109 5.691 1.00 0.00 C ATOM 898 SD MET A 62 -6.081 0.267 6.993 1.00 0.00 S ATOM 899 CE MET A 62 -5.607 1.235 8.423 1.00 0.00 C ATOM 0 H MET A 62 -4.373 0.886 2.771 1.00 0.00 H new ATOM 0 HA MET A 62 -6.949 -0.099 3.832 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.604 2.600 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.009 1.991 5.074 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.465 0.407 5.231 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.562 1.906 6.132 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.903 0.711 9.332 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.527 1.380 8.423 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.103 2.205 8.386 1.00 0.00 H new ATOM 909 N ASN A 63 -6.408 2.133 1.484 1.00 0.00 N ATOM 910 CA ASN A 63 -7.035 2.864 0.389 1.00 0.00 C ATOM 911 C ASN A 63 -6.199 2.761 -0.883 1.00 0.00 C ATOM 912 O ASN A 63 -5.144 3.384 -0.998 1.00 0.00 O ATOM 913 CB ASN A 63 -7.224 4.333 0.771 1.00 0.00 C ATOM 914 CG ASN A 63 -8.559 4.589 1.443 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.632 4.758 2.660 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.625 4.618 0.651 1.00 0.00 N ATOM 0 H ASN A 63 -5.390 2.195 1.505 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.011 2.417 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.419 4.638 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.146 4.951 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.550 4.785 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.519 4.473 -0.353 1.00 0.00 H new ATOM 923 N LYS A 64 -6.678 1.969 -1.837 1.00 0.00 N ATOM 924 CA LYS A 64 -5.977 1.785 -3.102 1.00 0.00 C ATOM 925 C LYS A 64 -6.795 2.340 -4.264 1.00 0.00 C ATOM 926 O LYS A 64 -6.802 1.774 -5.357 1.00 0.00 O ATOM 927 CB LYS A 64 -5.684 0.301 -3.334 1.00 0.00 C ATOM 928 CG LYS A 64 -6.932 -0.543 -3.524 1.00 0.00 C ATOM 929 CD LYS A 64 -6.666 -1.737 -4.427 1.00 0.00 C ATOM 930 CE LYS A 64 -5.785 -2.769 -3.740 1.00 0.00 C ATOM 931 NZ LYS A 64 -6.032 -4.143 -4.260 1.00 0.00 N ATOM 0 H LYS A 64 -7.549 1.444 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.036 2.332 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.049 0.198 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.119 -0.086 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.288 -0.891 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.725 0.070 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.612 -2.197 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.185 -1.400 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.737 -2.508 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.971 -2.748 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.413 -4.817 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.026 -4.403 -4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.830 -4.170 -5.280 1.00 0.00 H new ATOM 945 N ASP A 65 -7.483 3.450 -4.019 1.00 0.00 N ATOM 946 CA ASP A 65 -8.302 4.083 -5.046 1.00 0.00 C ATOM 947 C ASP A 65 -7.505 4.285 -6.331 1.00 0.00 C ATOM 948 O ASP A 65 -8.059 4.247 -7.429 1.00 0.00 O ATOM 949 CB ASP A 65 -8.836 5.427 -4.546 1.00 0.00 C ATOM 950 CG ASP A 65 -7.810 6.191 -3.733 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.607 5.874 -3.848 1.00 0.00 O ATOM 952 OD2 ASP A 65 -8.209 7.105 -2.981 1.00 0.00 O ATOM 0 H ASP A 65 -7.490 3.930 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.143 3.424 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.144 6.032 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.725 5.258 -3.938 1.00 0.00 H new ATOM 957 N ASP A 66 -6.202 4.500 -6.184 1.00 0.00 N ATOM 958 CA ASP A 66 -5.328 4.708 -7.333 1.00 0.00 C ATOM 959 C ASP A 66 -4.428 3.497 -7.557 1.00 0.00 C ATOM 960 O ASP A 66 -3.683 3.073 -6.673 1.00 0.00 O ATOM 961 CB ASP A 66 -4.475 5.962 -7.131 1.00 0.00 C ATOM 962 CG ASP A 66 -5.226 7.234 -7.472 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.461 7.260 -7.289 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.579 8.202 -7.923 1.00 0.00 O ATOM 0 H ASP A 66 -5.728 4.535 -5.281 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.954 4.841 -8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.141 6.008 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.581 5.894 -7.751 1.00 0.00 H new ATOM 969 N PRO A 67 -4.498 2.923 -8.768 1.00 0.00 N ATOM 970 CA PRO A 67 -3.698 1.752 -9.136 1.00 0.00 C ATOM 971 C PRO A 67 -2.215 2.082 -9.270 1.00 0.00 C ATOM 972 O PRO A 67 -1.406 1.221 -9.617 1.00 0.00 O ATOM 973 CB PRO A 67 -4.278 1.338 -10.491 1.00 0.00 C ATOM 974 CG PRO A 67 -4.865 2.588 -11.050 1.00 0.00 C ATOM 975 CD PRO A 67 -5.364 3.374 -9.870 1.00 0.00 C ATOM 0 HA PRO A 67 -3.748 0.970 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.505 0.936 -11.146 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.035 0.562 -10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.119 3.154 -11.609 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.678 2.363 -11.741 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.276 4.448 -10.036 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.415 3.168 -9.665 1.00 0.00 H new ATOM 983 N ASP A 68 -1.865 3.333 -8.994 1.00 0.00 N ATOM 984 CA ASP A 68 -0.479 3.777 -9.082 1.00 0.00 C ATOM 985 C ASP A 68 0.204 3.700 -7.720 1.00 0.00 C ATOM 986 O ASP A 68 1.313 3.180 -7.599 1.00 0.00 O ATOM 987 CB ASP A 68 -0.412 5.207 -9.620 1.00 0.00 C ATOM 988 CG ASP A 68 -1.558 5.527 -10.558 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.990 4.618 -11.298 1.00 0.00 O ATOM 990 OD2 ASP A 68 -2.023 6.686 -10.554 1.00 0.00 O ATOM 0 H ASP A 68 -2.522 4.058 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 68 0.046 3.114 -9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.424 5.907 -8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.533 5.351 -10.143 1.00 0.00 H new ATOM 995 N TRP A 69 -0.465 4.222 -6.698 1.00 0.00 N ATOM 996 CA TRP A 69 0.079 4.213 -5.345 1.00 0.00 C ATOM 997 C TRP A 69 -0.953 3.697 -4.348 1.00 0.00 C ATOM 998 O TRP A 69 -2.142 3.994 -4.461 1.00 0.00 O ATOM 999 CB TRP A 69 0.532 5.619 -4.946 1.00 0.00 C ATOM 1000 CG TRP A 69 1.907 5.960 -5.436 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.298 6.122 -6.735 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.073 6.179 -4.634 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.636 6.429 -6.788 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.134 6.470 -5.513 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.323 6.159 -3.259 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.423 6.738 -5.059 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.602 6.424 -2.811 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.640 6.711 -3.708 1.00 0.00 C ATOM 0 H TRP A 69 -1.384 4.656 -6.780 1.00 0.00 H new ATOM 0 HA TRP A 69 0.939 3.544 -5.330 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.177 6.347 -5.339 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.509 5.706 -3.860 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.651 6.023 -7.594 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.172 6.599 -7.639 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.530 5.940 -2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.224 6.959 -5.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.806 6.410 -1.751 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.629 6.915 -3.326 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.490 2.924 -3.372 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.374 2.367 -2.354 1.00 0.00 C ATOM 1021 C TRP A 70 -0.950 2.815 -0.960 1.00 0.00 C ATOM 1022 O TRP A 70 0.234 3.030 -0.702 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.378 0.839 -2.434 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.030 0.310 -3.675 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.849 0.996 -4.526 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.919 -1.016 -4.203 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.254 0.176 -5.551 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.697 -1.063 -5.376 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.238 -2.167 -3.800 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.810 -2.217 -6.147 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.352 -3.312 -4.566 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.132 -3.330 -5.729 1.00 0.00 C ATOM 0 H TRP A 70 0.492 2.669 -3.264 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.382 2.736 -2.542 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.351 0.478 -2.390 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.895 0.438 -1.562 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.136 2.031 -4.410 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.870 0.446 -6.318 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.633 -2.162 -2.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.412 -2.233 -7.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.831 -4.208 -4.262 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.200 -4.240 -6.307 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.923 2.953 -0.066 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.648 3.376 1.302 1.00 0.00 C ATOM 1045 C GLN A 71 -1.749 2.199 2.267 1.00 0.00 C ATOM 1046 O GLN A 71 -2.761 1.501 2.307 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.621 4.480 1.722 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.339 5.045 3.105 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.028 6.374 3.343 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.679 6.918 2.451 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.887 6.906 4.552 1.00 0.00 N ATOM 0 H GLN A 71 -2.908 2.778 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.630 3.765 1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.577 5.289 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.637 4.085 1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.667 4.330 3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.263 5.170 3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.338 6.421 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.327 7.800 4.770 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.691 1.984 3.043 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.680 0.890 3.997 1.00 0.00 C ATOM 1062 C GLY A 72 -0.131 1.303 5.347 1.00 0.00 C ATOM 1063 O GLY A 72 0.188 2.472 5.563 1.00 0.00 O ATOM 0 H GLY A 72 0.159 2.548 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.694 0.511 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.080 0.071 3.599 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.022 0.342 6.259 1.00 0.00 N ATOM 1068 CA GLU A 73 0.491 0.615 7.597 1.00 0.00 C ATOM 1069 C GLU A 73 1.570 -0.394 7.982 1.00 0.00 C ATOM 1070 O GLU A 73 1.637 -1.489 7.424 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.646 0.577 8.621 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.321 -0.779 8.731 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.491 -0.772 9.696 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.252 -0.641 10.915 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -3.643 -0.898 9.233 1.00 0.00 O ATOM 0 H GLU A 73 -0.282 -0.631 6.096 1.00 0.00 H new ATOM 0 HA GLU A 73 0.933 1.611 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.253 0.858 9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.392 1.324 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.670 -1.088 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.590 -1.519 9.057 1.00 0.00 H new ATOM 1082 N ILE A 74 2.411 -0.015 8.938 1.00 0.00 N ATOM 1083 CA ILE A 74 3.486 -0.885 9.398 1.00 0.00 C ATOM 1084 C ILE A 74 3.884 -0.557 10.833 1.00 0.00 C ATOM 1085 O ILE A 74 4.550 0.445 11.089 1.00 0.00 O ATOM 1086 CB ILE A 74 4.728 -0.772 8.494 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.313 -0.739 7.022 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.681 -1.929 8.756 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.467 -0.500 6.074 1.00 0.00 C ATOM 0 H ILE A 74 2.369 0.889 9.409 1.00 0.00 H new ATOM 0 HA ILE A 74 3.106 -1.906 9.354 1.00 0.00 H new ATOM 0 HB ILE A 74 5.245 0.159 8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.834 -1.684 6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.569 0.045 6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.554 -1.835 8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.998 -1.910 9.799 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.175 -2.872 8.548 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.099 -0.489 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.933 0.458 6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.202 -1.297 6.187 1.00 0.00 H new ATOM 1101 N ASN A 75 3.472 -1.409 11.766 1.00 0.00 N ATOM 1102 CA ASN A 75 3.786 -1.210 13.176 1.00 0.00 C ATOM 1103 C ASN A 75 3.174 0.089 13.691 1.00 0.00 C ATOM 1104 O ASN A 75 3.859 0.912 14.298 1.00 0.00 O ATOM 1105 CB ASN A 75 5.302 -1.191 13.384 1.00 0.00 C ATOM 1106 CG ASN A 75 5.872 -2.579 13.605 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.344 -3.361 14.396 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.957 -2.891 12.905 1.00 0.00 N ATOM 0 H ASN A 75 2.920 -2.244 11.571 1.00 0.00 H new ATOM 0 HA ASN A 75 3.359 -2.040 13.739 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.780 -0.739 12.515 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.541 -0.562 14.242 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.386 -3.810 13.012 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.361 -2.211 12.261 1.00 0.00 H new ATOM 1115 N GLY A 76 1.880 0.266 13.446 1.00 0.00 N ATOM 1116 CA GLY A 76 1.197 1.466 13.892 1.00 0.00 C ATOM 1117 C GLY A 76 1.633 2.700 13.126 1.00 0.00 C ATOM 1118 O GLY A 76 1.299 3.823 13.503 1.00 0.00 O ATOM 0 H GLY A 76 1.292 -0.401 12.946 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.121 1.332 13.777 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.388 1.615 14.955 1.00 0.00 H new ATOM 1122 N VAL A 77 2.382 2.491 12.048 1.00 0.00 N ATOM 1123 CA VAL A 77 2.865 3.595 11.228 1.00 0.00 C ATOM 1124 C VAL A 77 2.139 3.642 9.888 1.00 0.00 C ATOM 1125 O VAL A 77 1.732 2.610 9.352 1.00 0.00 O ATOM 1126 CB VAL A 77 4.380 3.486 10.975 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.656 2.654 9.731 1.00 0.00 C ATOM 1128 CG2 VAL A 77 5.000 4.869 10.849 1.00 0.00 C ATOM 0 H VAL A 77 2.667 1.567 11.722 1.00 0.00 H new ATOM 0 HA VAL A 77 2.662 4.512 11.781 1.00 0.00 H new ATOM 0 HB VAL A 77 4.837 2.984 11.828 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.732 2.588 9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.247 1.652 9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.187 3.125 8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.071 4.773 10.670 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.539 5.400 10.016 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.835 5.427 11.770 1.00 0.00 H new ATOM 1138 N THR A 78 1.980 4.847 9.349 1.00 0.00 N ATOM 1139 CA THR A 78 1.303 5.030 8.071 1.00 0.00 C ATOM 1140 C THR A 78 2.114 5.926 7.143 1.00 0.00 C ATOM 1141 O THR A 78 2.870 6.784 7.596 1.00 0.00 O ATOM 1142 CB THR A 78 -0.099 5.639 8.260 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.008 6.848 9.022 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.025 4.659 8.964 1.00 0.00 C ATOM 0 H THR A 78 2.311 5.711 9.778 1.00 0.00 H new ATOM 0 HA THR A 78 1.204 4.042 7.621 1.00 0.00 H new ATOM 0 HB THR A 78 -0.511 5.860 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.903 7.231 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.009 5.112 9.086 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.115 3.751 8.368 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.616 4.411 9.943 1.00 0.00 H new ATOM 1152 N GLY A 79 1.950 5.723 5.839 1.00 0.00 N ATOM 1153 CA GLY A 79 2.673 6.522 4.867 1.00 0.00 C ATOM 1154 C GLY A 79 2.129 6.357 3.461 1.00 0.00 C ATOM 1155 O GLY A 79 0.933 6.134 3.273 1.00 0.00 O ATOM 0 H GLY A 79 1.329 5.019 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.620 7.572 5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.726 6.241 4.881 1.00 0.00 H new ATOM 1159 N LEU A 80 3.008 6.469 2.472 1.00 0.00 N ATOM 1160 CA LEU A 80 2.610 6.333 1.075 1.00 0.00 C ATOM 1161 C LEU A 80 3.651 5.545 0.286 1.00 0.00 C ATOM 1162 O LEU A 80 4.853 5.760 0.438 1.00 0.00 O ATOM 1163 CB LEU A 80 2.411 7.712 0.444 1.00 0.00 C ATOM 1164 CG LEU A 80 1.138 8.458 0.848 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.188 9.899 0.364 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.092 7.750 0.299 1.00 0.00 C ATOM 0 H LEU A 80 4.001 6.654 2.611 1.00 0.00 H new ATOM 0 HA LEU A 80 1.667 5.787 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.269 8.334 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.412 7.597 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 80 1.073 8.464 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.274 10.414 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.048 10.402 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.278 9.915 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.988 8.295 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.035 7.712 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.135 6.736 0.696 1.00 0.00 H new ATOM 1178 N PHE A 81 3.180 4.634 -0.559 1.00 0.00 N ATOM 1179 CA PHE A 81 4.070 3.815 -1.374 1.00 0.00 C ATOM 1180 C PHE A 81 3.377 3.371 -2.659 1.00 0.00 C ATOM 1181 O PHE A 81 2.152 3.274 -2.731 1.00 0.00 O ATOM 1182 CB PHE A 81 4.537 2.591 -0.584 1.00 0.00 C ATOM 1183 CG PHE A 81 3.413 1.820 0.047 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.507 1.124 -0.737 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.262 1.792 1.424 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.472 0.413 -0.160 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.229 1.082 2.007 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.332 0.393 1.214 1.00 0.00 C ATOM 0 H PHE A 81 2.187 4.444 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 81 4.937 4.420 -1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.092 1.930 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.228 2.913 0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.611 1.137 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.959 2.331 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.773 -0.126 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.123 1.066 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.523 -0.160 1.667 1.00 0.00 H new ATOM 1198 N PRO A 82 4.178 3.096 -3.698 1.00 0.00 N ATOM 1199 CA PRO A 82 3.665 2.658 -4.999 1.00 0.00 C ATOM 1200 C PRO A 82 3.083 1.249 -4.949 1.00 0.00 C ATOM 1201 O PRO A 82 3.574 0.390 -4.216 1.00 0.00 O ATOM 1202 CB PRO A 82 4.903 2.693 -5.899 1.00 0.00 C ATOM 1203 CG PRO A 82 6.053 2.523 -4.968 1.00 0.00 C ATOM 1204 CD PRO A 82 5.648 3.190 -3.683 1.00 0.00 C ATOM 0 HA PRO A 82 2.849 3.290 -5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.875 1.896 -6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.970 3.635 -6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.272 1.467 -4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.956 2.978 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.074 2.685 -2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.984 4.226 -3.645 1.00 0.00 H new ATOM 1212 N SER A 83 2.035 1.018 -5.732 1.00 0.00 N ATOM 1213 CA SER A 83 1.384 -0.286 -5.774 1.00 0.00 C ATOM 1214 C SER A 83 2.175 -1.260 -6.641 1.00 0.00 C ATOM 1215 O SER A 83 1.697 -2.345 -6.969 1.00 0.00 O ATOM 1216 CB SER A 83 -0.043 -0.151 -6.309 1.00 0.00 C ATOM 1217 OG SER A 83 -0.048 0.407 -7.612 1.00 0.00 O ATOM 0 H SER A 83 1.618 1.717 -6.346 1.00 0.00 H new ATOM 0 HA SER A 83 1.347 -0.679 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.522 -1.130 -6.327 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.628 0.478 -5.638 1.00 0.00 H new ATOM 0 HG SER A 83 -0.953 0.361 -7.984 1.00 0.00 H new ATOM 1223 N ASN A 84 3.389 -0.864 -7.009 1.00 0.00 N ATOM 1224 CA ASN A 84 4.248 -1.701 -7.839 1.00 0.00 C ATOM 1225 C ASN A 84 5.386 -2.296 -7.017 1.00 0.00 C ATOM 1226 O ASN A 84 6.081 -3.207 -7.467 1.00 0.00 O ATOM 1227 CB ASN A 84 4.815 -0.888 -9.004 1.00 0.00 C ATOM 1228 CG ASN A 84 3.729 -0.333 -9.906 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.495 0.875 -9.943 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.060 -1.216 -10.638 1.00 0.00 N ATOM 0 H ASN A 84 3.800 0.031 -6.746 1.00 0.00 H new ATOM 0 HA ASN A 84 3.645 -2.518 -8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.413 -0.065 -8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.484 -1.517 -9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.318 -0.902 -11.263 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.288 -2.208 -10.575 1.00 0.00 H new ATOM 1237 N TYR A 85 5.571 -1.775 -5.809 1.00 0.00 N ATOM 1238 CA TYR A 85 6.627 -2.253 -4.924 1.00 0.00 C ATOM 1239 C TYR A 85 6.097 -3.321 -3.971 1.00 0.00 C ATOM 1240 O TYR A 85 6.864 -3.968 -3.258 1.00 0.00 O ATOM 1241 CB TYR A 85 7.218 -1.090 -4.126 1.00 0.00 C ATOM 1242 CG TYR A 85 8.406 -0.437 -4.796 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.261 0.247 -5.997 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.672 -0.503 -4.228 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.344 0.844 -6.614 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.760 0.092 -4.837 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.591 0.764 -6.029 1.00 0.00 C ATOM 1248 OH TYR A 85 11.671 1.359 -6.640 1.00 0.00 O ATOM 0 H TYR A 85 5.004 -1.022 -5.420 1.00 0.00 H new ATOM 0 HA TYR A 85 7.409 -2.697 -5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.444 -0.339 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.519 -1.451 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.286 0.313 -6.456 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.808 -1.028 -3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.215 1.370 -7.548 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.738 0.031 -4.382 1.00 0.00 H new ATOM 0 HH TYR A 85 12.475 1.212 -6.099 1.00 0.00 H new ATOM 1258 N VAL A 86 4.780 -3.499 -3.967 1.00 0.00 N ATOM 1259 CA VAL A 86 4.146 -4.489 -3.104 1.00 0.00 C ATOM 1260 C VAL A 86 3.514 -5.608 -3.924 1.00 0.00 C ATOM 1261 O VAL A 86 3.071 -5.392 -5.053 1.00 0.00 O ATOM 1262 CB VAL A 86 3.066 -3.847 -2.213 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.652 -2.697 -1.409 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.891 -3.376 -3.056 1.00 0.00 C ATOM 0 H VAL A 86 4.132 -2.971 -4.551 1.00 0.00 H new ATOM 0 HA VAL A 86 4.929 -4.905 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 86 2.702 -4.599 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.874 -2.256 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.457 -3.069 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.045 -1.941 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.137 -2.925 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.236 -2.639 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.456 -4.226 -3.582 1.00 0.00 H new ATOM 1274 N LYS A 87 3.473 -6.805 -3.349 1.00 0.00 N ATOM 1275 CA LYS A 87 2.893 -7.960 -4.025 1.00 0.00 C ATOM 1276 C LYS A 87 1.730 -8.533 -3.221 1.00 0.00 C ATOM 1277 O LYS A 87 1.750 -8.524 -1.991 1.00 0.00 O ATOM 1278 CB LYS A 87 3.958 -9.038 -4.241 1.00 0.00 C ATOM 1279 CG LYS A 87 3.431 -10.282 -4.935 1.00 0.00 C ATOM 1280 CD LYS A 87 3.524 -10.159 -6.447 1.00 0.00 C ATOM 1281 CE LYS A 87 2.276 -9.516 -7.031 1.00 0.00 C ATOM 1282 NZ LYS A 87 2.181 -9.726 -8.503 1.00 0.00 N ATOM 0 H LYS A 87 3.835 -7.001 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 87 2.516 -7.632 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.772 -8.619 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.378 -9.321 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.998 -11.152 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.393 -10.449 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.399 -9.565 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.665 -11.147 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.393 -9.932 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.284 -8.447 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.317 -9.273 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.012 -9.307 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.148 -10.745 -8.707 1.00 0.00 H new