USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 MET CE :methyl -107:sc= -2.93 (180deg=-6.09!) USER MOD Set 1.2: A 41 TYR OH : rot 30:sc= -0.617 USER MOD Single : A 35 CYS SG : rot 41:sc= 0.464 USER MOD Single : A 36 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.84) USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.543! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.923 K(o=-0.92,f=-3.7!) USER MOD Single : A 60 ASN : amide:sc= -0.338 K(o=-0.34,f=-5.3!) USER MOD Single : A 62 MET CE :methyl 177:sc= 0 (180deg=-0.0177) USER MOD Single : A 63 ASN : amide:sc= -0.128 K(o=-0.13,f=-6.9!) USER MOD Single : A 64 LYS NZ :NH3+ -108:sc= 1.25 (180deg=-0.0832) USER MOD Single : A 71 GLN : amide:sc= -0.055 K(o=-0.055,f=-1.8!) USER MOD Single : A 75 ASN : amide:sc=-0.00763 X(o=-0.0076,f=-0.17) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 167:sc= 0.442 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.0453 (180deg=-0.389) USER MOD ----------------------------------------------------------------- ATOM 467 N VAL A 34 -8.316 -2.794 3.220 1.00 0.00 N ATOM 468 CA VAL A 34 -9.014 -3.411 2.099 1.00 0.00 C ATOM 469 C VAL A 34 -8.338 -4.710 1.678 1.00 0.00 C ATOM 470 O VAL A 34 -8.995 -5.640 1.207 1.00 0.00 O ATOM 471 CB VAL A 34 -9.079 -2.462 0.887 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.785 -2.525 0.090 1.00 0.00 C ATOM 473 CG2 VAL A 34 -10.273 -2.802 0.008 1.00 0.00 C ATOM 0 HA VAL A 34 -10.028 -3.626 2.437 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.204 -1.442 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.849 -1.848 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.951 -2.229 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.626 -3.543 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.304 -2.122 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.181 -3.827 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.191 -2.701 0.586 1.00 0.00 H new ATOM 483 N CYS A 35 -7.022 -4.769 1.850 1.00 0.00 N ATOM 484 CA CYS A 35 -6.255 -5.955 1.487 1.00 0.00 C ATOM 485 C CYS A 35 -4.857 -5.905 2.094 1.00 0.00 C ATOM 486 O CYS A 35 -4.368 -4.838 2.461 1.00 0.00 O ATOM 487 CB CYS A 35 -6.160 -6.081 -0.034 1.00 0.00 C ATOM 488 SG CYS A 35 -7.506 -7.029 -0.782 1.00 0.00 S ATOM 0 H CYS A 35 -6.464 -4.009 2.239 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.773 -6.828 1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.147 -5.082 -0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.211 -6.553 -0.290 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.628 -6.722 -0.201 1.00 0.00 H new ATOM 494 N GLN A 36 -4.220 -7.068 2.197 1.00 0.00 N ATOM 495 CA GLN A 36 -2.879 -7.156 2.762 1.00 0.00 C ATOM 496 C GLN A 36 -1.865 -7.561 1.697 1.00 0.00 C ATOM 497 O GLN A 36 -2.049 -8.556 0.997 1.00 0.00 O ATOM 498 CB GLN A 36 -2.854 -8.161 3.915 1.00 0.00 C ATOM 499 CG GLN A 36 -1.640 -8.019 4.819 1.00 0.00 C ATOM 500 CD GLN A 36 -1.708 -8.923 6.034 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.566 -9.802 6.121 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.802 -8.711 6.982 1.00 0.00 N ATOM 0 H GLN A 36 -4.611 -7.961 1.897 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.606 -6.171 3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.758 -8.039 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.876 -9.171 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.739 -8.249 4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.555 -6.983 5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.109 -7.971 6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.799 -9.288 7.823 1.00 0.00 H new ATOM 511 N VAL A 37 -0.795 -6.782 1.580 1.00 0.00 N ATOM 512 CA VAL A 37 0.249 -7.059 0.600 1.00 0.00 C ATOM 513 C VAL A 37 1.610 -7.203 1.273 1.00 0.00 C ATOM 514 O VAL A 37 1.732 -7.049 2.489 1.00 0.00 O ATOM 515 CB VAL A 37 0.330 -5.949 -0.464 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.954 -5.895 -1.278 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.613 -4.605 0.189 1.00 0.00 C ATOM 0 H VAL A 37 -0.628 -5.954 2.152 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.015 -7.998 0.114 1.00 0.00 H new ATOM 0 HB VAL A 37 1.152 -6.179 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.878 -5.105 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.109 -6.852 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.796 -5.690 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.667 -3.832 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.187 -4.366 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.562 -4.653 0.723 1.00 0.00 H new ATOM 527 N ILE A 38 2.630 -7.499 0.475 1.00 0.00 N ATOM 528 CA ILE A 38 3.982 -7.662 0.993 1.00 0.00 C ATOM 529 C ILE A 38 4.988 -6.871 0.163 1.00 0.00 C ATOM 530 O ILE A 38 4.936 -6.880 -1.067 1.00 0.00 O ATOM 531 CB ILE A 38 4.403 -9.143 1.014 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.420 -9.391 2.129 1.00 0.00 C ATOM 533 CG2 ILE A 38 4.977 -9.550 -0.335 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.354 -10.787 2.708 1.00 0.00 C ATOM 0 H ILE A 38 2.546 -7.631 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 38 3.976 -7.280 2.014 1.00 0.00 H new ATOM 0 HB ILE A 38 3.521 -9.753 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.423 -9.215 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.256 -8.667 2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.270 -10.599 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.223 -9.406 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.849 -8.936 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.103 -10.891 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.363 -10.961 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.549 -11.517 1.922 1.00 0.00 H new ATOM 546 N ALA A 39 5.904 -6.191 0.843 1.00 0.00 N ATOM 547 CA ALA A 39 6.925 -5.398 0.169 1.00 0.00 C ATOM 548 C ALA A 39 7.823 -6.279 -0.693 1.00 0.00 C ATOM 549 O ALA A 39 8.246 -7.354 -0.268 1.00 0.00 O ATOM 550 CB ALA A 39 7.755 -4.630 1.187 1.00 0.00 C ATOM 0 H ALA A 39 5.960 -6.173 1.861 1.00 0.00 H new ATOM 0 HA ALA A 39 6.423 -4.685 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.513 -4.042 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.107 -3.964 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.240 -5.332 1.865 1.00 0.00 H new ATOM 556 N MET A 40 8.110 -5.817 -1.905 1.00 0.00 N ATOM 557 CA MET A 40 8.960 -6.564 -2.826 1.00 0.00 C ATOM 558 C MET A 40 10.418 -6.139 -2.686 1.00 0.00 C ATOM 559 O MET A 40 11.328 -6.961 -2.805 1.00 0.00 O ATOM 560 CB MET A 40 8.492 -6.355 -4.268 1.00 0.00 C ATOM 561 CG MET A 40 7.235 -7.136 -4.618 1.00 0.00 C ATOM 562 SD MET A 40 7.075 -7.437 -6.388 1.00 0.00 S ATOM 563 CE MET A 40 7.130 -5.762 -7.022 1.00 0.00 C ATOM 0 H MET A 40 7.767 -4.930 -2.273 1.00 0.00 H new ATOM 0 HA MET A 40 8.883 -7.622 -2.576 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.307 -5.293 -4.431 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.293 -6.648 -4.947 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.246 -8.090 -4.091 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.361 -6.587 -4.266 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.135 -5.465 -7.353 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.468 -5.086 -6.236 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.821 -5.714 -7.863 1.00 0.00 H new ATOM 573 N TYR A 41 10.634 -4.853 -2.434 1.00 0.00 N ATOM 574 CA TYR A 41 11.982 -4.320 -2.280 1.00 0.00 C ATOM 575 C TYR A 41 12.058 -3.363 -1.094 1.00 0.00 C ATOM 576 O TYR A 41 11.073 -2.716 -0.740 1.00 0.00 O ATOM 577 CB TYR A 41 12.417 -3.601 -3.558 1.00 0.00 C ATOM 578 CG TYR A 41 11.798 -4.171 -4.815 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.419 -5.198 -5.515 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.591 -3.683 -5.301 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.857 -5.721 -6.663 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.021 -4.201 -6.448 1.00 0.00 C ATOM 583 CZ TYR A 41 10.658 -5.220 -7.125 1.00 0.00 C ATOM 584 OH TYR A 41 10.094 -5.739 -8.268 1.00 0.00 O ATOM 0 H TYR A 41 9.892 -4.160 -2.332 1.00 0.00 H new ATOM 0 HA TYR A 41 12.656 -5.156 -2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.153 -2.546 -3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.503 -3.652 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.357 -5.594 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.090 -2.885 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.354 -6.518 -7.196 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.082 -3.810 -6.812 1.00 0.00 H new ATOM 0 HH TYR A 41 10.347 -6.682 -8.359 1.00 0.00 H new ATOM 594 N ASP A 42 13.235 -3.280 -0.485 1.00 0.00 N ATOM 595 CA ASP A 42 13.443 -2.402 0.661 1.00 0.00 C ATOM 596 C ASP A 42 13.103 -0.957 0.307 1.00 0.00 C ATOM 597 O ASP A 42 13.893 -0.261 -0.331 1.00 0.00 O ATOM 598 CB ASP A 42 14.890 -2.494 1.145 1.00 0.00 C ATOM 599 CG ASP A 42 15.884 -2.514 0.001 1.00 0.00 C ATOM 600 OD1 ASP A 42 16.284 -1.423 -0.458 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.263 -3.621 -0.436 1.00 0.00 O ATOM 0 H ASP A 42 14.060 -3.810 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 42 12.779 -2.727 1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.107 -1.647 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.013 -3.396 1.745 1.00 0.00 H new ATOM 606 N TYR A 43 11.922 -0.514 0.723 1.00 0.00 N ATOM 607 CA TYR A 43 11.475 0.846 0.447 1.00 0.00 C ATOM 608 C TYR A 43 11.907 1.797 1.559 1.00 0.00 C ATOM 609 O TYR A 43 11.706 1.520 2.741 1.00 0.00 O ATOM 610 CB TYR A 43 9.954 0.884 0.290 1.00 0.00 C ATOM 611 CG TYR A 43 9.451 2.113 -0.433 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.528 3.369 0.156 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.897 2.018 -1.703 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.068 4.495 -0.500 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.436 3.139 -2.367 1.00 0.00 C ATOM 616 CZ TYR A 43 8.524 4.375 -1.761 1.00 0.00 C ATOM 617 OH TYR A 43 8.065 5.493 -2.419 1.00 0.00 O ATOM 0 H TYR A 43 11.257 -1.077 1.253 1.00 0.00 H new ATOM 0 HA TYR A 43 11.937 1.171 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.631 -0.004 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.494 0.840 1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.955 3.467 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.825 1.052 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.134 5.464 -0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.009 3.048 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 43 7.937 5.285 -3.368 1.00 0.00 H new ATOM 627 N ALA A 44 12.499 2.922 1.170 1.00 0.00 N ATOM 628 CA ALA A 44 12.957 3.916 2.133 1.00 0.00 C ATOM 629 C ALA A 44 12.368 5.289 1.826 1.00 0.00 C ATOM 630 O ALA A 44 12.811 5.972 0.903 1.00 0.00 O ATOM 631 CB ALA A 44 14.477 3.982 2.141 1.00 0.00 C ATOM 0 H ALA A 44 12.672 3.167 0.195 1.00 0.00 H new ATOM 0 HA ALA A 44 12.612 3.614 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.805 4.728 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.882 3.008 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.834 4.257 1.149 1.00 0.00 H new ATOM 637 N ALA A 45 11.367 5.685 2.605 1.00 0.00 N ATOM 638 CA ALA A 45 10.718 6.977 2.416 1.00 0.00 C ATOM 639 C ALA A 45 11.713 8.121 2.582 1.00 0.00 C ATOM 640 O ALA A 45 12.355 8.252 3.623 1.00 0.00 O ATOM 641 CB ALA A 45 9.563 7.135 3.393 1.00 0.00 C ATOM 0 H ALA A 45 10.988 5.130 3.372 1.00 0.00 H new ATOM 0 HA ALA A 45 10.328 7.014 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.088 8.104 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.834 6.343 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.939 7.072 4.414 1.00 0.00 H new ATOM 702 N GLU A 50 6.354 9.879 3.049 1.00 0.00 N ATOM 703 CA GLU A 50 6.376 8.520 2.521 1.00 0.00 C ATOM 704 C GLU A 50 6.560 7.503 3.643 1.00 0.00 C ATOM 705 O GLU A 50 6.777 7.869 4.799 1.00 0.00 O ATOM 706 CB GLU A 50 7.498 8.367 1.492 1.00 0.00 C ATOM 707 CG GLU A 50 7.239 9.115 0.194 1.00 0.00 C ATOM 708 CD GLU A 50 8.518 9.481 -0.533 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.300 8.561 -0.855 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.738 10.685 -0.781 1.00 0.00 O ATOM 0 HA GLU A 50 5.418 8.331 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.431 8.725 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.635 7.309 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.618 8.500 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.675 10.023 0.408 1.00 0.00 H new ATOM 717 N LEU A 51 6.469 6.224 3.295 1.00 0.00 N ATOM 718 CA LEU A 51 6.625 5.152 4.273 1.00 0.00 C ATOM 719 C LEU A 51 7.928 4.393 4.046 1.00 0.00 C ATOM 720 O LEU A 51 8.267 4.045 2.915 1.00 0.00 O ATOM 721 CB LEU A 51 5.440 4.188 4.194 1.00 0.00 C ATOM 722 CG LEU A 51 5.009 3.545 5.513 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.903 2.529 5.275 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.198 2.891 6.201 1.00 0.00 C ATOM 0 H LEU A 51 6.288 5.904 2.344 1.00 0.00 H new ATOM 0 HA LEU A 51 6.656 5.601 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.587 4.725 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.690 3.394 3.490 1.00 0.00 H new ATOM 0 HG LEU A 51 4.622 4.326 6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.609 2.082 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.043 3.026 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.263 1.750 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.873 2.439 7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.616 2.121 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.959 3.644 6.407 1.00 0.00 H new ATOM 736 N SER A 52 8.655 4.138 5.130 1.00 0.00 N ATOM 737 CA SER A 52 9.922 3.421 5.049 1.00 0.00 C ATOM 738 C SER A 52 9.780 2.003 5.594 1.00 0.00 C ATOM 739 O SER A 52 9.452 1.805 6.764 1.00 0.00 O ATOM 740 CB SER A 52 11.007 4.172 5.824 1.00 0.00 C ATOM 741 OG SER A 52 11.446 5.314 5.111 1.00 0.00 O ATOM 0 H SER A 52 8.388 4.417 6.074 1.00 0.00 H new ATOM 0 HA SER A 52 10.211 3.360 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.620 4.474 6.797 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.852 3.508 6.009 1.00 0.00 H new ATOM 0 HG SER A 52 12.138 5.777 5.628 1.00 0.00 H new ATOM 747 N PHE A 53 10.029 1.019 4.736 1.00 0.00 N ATOM 748 CA PHE A 53 9.929 -0.381 5.130 1.00 0.00 C ATOM 749 C PHE A 53 11.002 -1.219 4.440 1.00 0.00 C ATOM 750 O PHE A 53 11.721 -0.730 3.569 1.00 0.00 O ATOM 751 CB PHE A 53 8.541 -0.930 4.790 1.00 0.00 C ATOM 752 CG PHE A 53 8.102 -0.622 3.387 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.461 -1.452 2.337 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.330 0.496 3.118 1.00 0.00 C ATOM 755 CE1 PHE A 53 8.059 -1.171 1.045 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.925 0.783 1.828 1.00 0.00 C ATOM 757 CZ PHE A 53 7.289 -0.053 0.791 1.00 0.00 C ATOM 0 H PHE A 53 10.301 1.165 3.764 1.00 0.00 H new ATOM 0 HA PHE A 53 10.083 -0.441 6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.541 -2.011 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.814 -0.516 5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.062 -2.328 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.041 1.152 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.347 -1.825 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.325 1.659 1.632 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.972 0.167 -0.218 1.00 0.00 H new ATOM 767 N SER A 54 11.104 -2.483 4.838 1.00 0.00 N ATOM 768 CA SER A 54 12.092 -3.388 4.263 1.00 0.00 C ATOM 769 C SER A 54 11.412 -4.508 3.481 1.00 0.00 C ATOM 770 O SER A 54 10.233 -4.796 3.684 1.00 0.00 O ATOM 771 CB SER A 54 12.974 -3.981 5.363 1.00 0.00 C ATOM 772 OG SER A 54 12.204 -4.741 6.279 1.00 0.00 O ATOM 0 H SER A 54 10.515 -2.904 5.556 1.00 0.00 H new ATOM 0 HA SER A 54 12.716 -2.816 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.742 -4.613 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.489 -3.179 5.893 1.00 0.00 H new ATOM 0 HG SER A 54 12.791 -5.111 6.971 1.00 0.00 H new ATOM 778 N LYS A 55 12.166 -5.137 2.585 1.00 0.00 N ATOM 779 CA LYS A 55 11.639 -6.227 1.772 1.00 0.00 C ATOM 780 C LYS A 55 10.973 -7.285 2.646 1.00 0.00 C ATOM 781 O LYS A 55 11.632 -7.945 3.448 1.00 0.00 O ATOM 782 CB LYS A 55 12.760 -6.863 0.947 1.00 0.00 C ATOM 783 CG LYS A 55 12.320 -8.088 0.165 1.00 0.00 C ATOM 784 CD LYS A 55 13.325 -8.451 -0.915 1.00 0.00 C ATOM 785 CE LYS A 55 12.993 -9.788 -1.559 1.00 0.00 C ATOM 786 NZ LYS A 55 14.136 -10.322 -2.350 1.00 0.00 N ATOM 0 H LYS A 55 13.144 -4.910 2.404 1.00 0.00 H new ATOM 0 HA LYS A 55 10.889 -5.814 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.154 -6.121 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.577 -7.142 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.196 -8.930 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.347 -7.900 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.338 -7.672 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.325 -8.492 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.720 -10.506 -0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.125 -9.673 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.870 -11.234 -2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.381 -9.649 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.957 -10.456 -1.726 1.00 0.00 H new ATOM 800 N GLY A 56 9.663 -7.442 2.483 1.00 0.00 N ATOM 801 CA GLY A 56 8.931 -8.422 3.263 1.00 0.00 C ATOM 802 C GLY A 56 8.336 -7.832 4.526 1.00 0.00 C ATOM 803 O GLY A 56 8.118 -8.542 5.507 1.00 0.00 O ATOM 0 H GLY A 56 9.096 -6.908 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.133 -8.845 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.598 -9.242 3.528 1.00 0.00 H new ATOM 807 N GLN A 57 8.075 -6.529 4.502 1.00 0.00 N ATOM 808 CA GLN A 57 7.504 -5.843 5.656 1.00 0.00 C ATOM 809 C GLN A 57 5.997 -6.064 5.729 1.00 0.00 C ATOM 810 O GLN A 57 5.375 -6.502 4.760 1.00 0.00 O ATOM 811 CB GLN A 57 7.809 -4.346 5.588 1.00 0.00 C ATOM 812 CG GLN A 57 7.628 -3.628 6.916 1.00 0.00 C ATOM 813 CD GLN A 57 8.458 -4.238 8.027 1.00 0.00 C ATOM 814 OE1 GLN A 57 8.123 -5.297 8.559 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.550 -3.572 8.385 1.00 0.00 N ATOM 0 H GLN A 57 8.250 -5.927 3.697 1.00 0.00 H new ATOM 0 HA GLN A 57 7.958 -6.258 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.835 -4.208 5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.160 -3.885 4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.901 -2.579 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.575 -3.654 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.790 -2.698 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.148 -3.935 9.127 1.00 0.00 H new ATOM 824 N LEU A 58 5.415 -5.760 6.884 1.00 0.00 N ATOM 825 CA LEU A 58 3.980 -5.925 7.085 1.00 0.00 C ATOM 826 C LEU A 58 3.218 -4.691 6.613 1.00 0.00 C ATOM 827 O LEU A 58 3.260 -3.641 7.254 1.00 0.00 O ATOM 828 CB LEU A 58 3.678 -6.191 8.561 1.00 0.00 C ATOM 829 CG LEU A 58 2.286 -5.786 9.045 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.232 -6.730 8.489 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.236 -5.763 10.566 1.00 0.00 C ATOM 0 H LEU A 58 5.915 -5.398 7.696 1.00 0.00 H new ATOM 0 HA LEU A 58 3.652 -6.780 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.812 -7.256 8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.418 -5.664 9.163 1.00 0.00 H new ATOM 0 HG LEU A 58 2.073 -4.781 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.247 -6.426 8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.251 -6.696 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.441 -7.746 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.238 -5.473 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.470 -6.755 10.953 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.964 -5.045 10.943 1.00 0.00 H new ATOM 843 N ILE A 59 2.521 -4.826 5.489 1.00 0.00 N ATOM 844 CA ILE A 59 1.747 -3.723 4.934 1.00 0.00 C ATOM 845 C ILE A 59 0.291 -4.125 4.722 1.00 0.00 C ATOM 846 O ILE A 59 0.004 -5.206 4.210 1.00 0.00 O ATOM 847 CB ILE A 59 2.335 -3.241 3.595 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.777 -2.767 3.787 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.479 -2.127 3.011 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.580 -2.737 2.505 1.00 0.00 C ATOM 0 H ILE A 59 2.477 -5.688 4.946 1.00 0.00 H new ATOM 0 HA ILE A 59 1.795 -2.908 5.657 1.00 0.00 H new ATOM 0 HB ILE A 59 2.337 -4.076 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.767 -1.768 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.274 -3.423 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.908 -1.797 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.467 -2.496 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.448 -1.289 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.592 -2.391 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.621 -3.739 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.107 -2.059 1.795 1.00 0.00 H new ATOM 862 N ASN A 60 -0.623 -3.245 5.117 1.00 0.00 N ATOM 863 CA ASN A 60 -2.050 -3.507 4.969 1.00 0.00 C ATOM 864 C ASN A 60 -2.721 -2.415 4.141 1.00 0.00 C ATOM 865 O ASN A 60 -3.076 -1.357 4.661 1.00 0.00 O ATOM 866 CB ASN A 60 -2.717 -3.604 6.342 1.00 0.00 C ATOM 867 CG ASN A 60 -2.032 -4.608 7.249 1.00 0.00 C ATOM 868 OD1 ASN A 60 -0.841 -4.487 7.539 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.782 -5.606 7.700 1.00 0.00 N ATOM 0 H ASN A 60 -0.401 -2.345 5.542 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.167 -4.457 4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.707 -2.623 6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.762 -3.887 6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.376 -6.313 8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.765 -5.666 7.434 1.00 0.00 H new ATOM 876 N VAL A 61 -2.891 -2.680 2.849 1.00 0.00 N ATOM 877 CA VAL A 61 -3.521 -1.721 1.949 1.00 0.00 C ATOM 878 C VAL A 61 -4.916 -1.346 2.435 1.00 0.00 C ATOM 879 O VAL A 61 -5.809 -2.191 2.503 1.00 0.00 O ATOM 880 CB VAL A 61 -3.620 -2.278 0.517 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.303 -1.274 -0.400 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.240 -2.640 -0.010 1.00 0.00 C ATOM 0 H VAL A 61 -2.601 -3.550 2.403 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.891 -0.831 1.942 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.225 -3.185 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.364 -1.685 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.308 -1.068 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.727 -0.349 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.329 -3.032 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.609 -1.751 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.792 -3.397 0.634 1.00 0.00 H new ATOM 892 N MET A 62 -5.098 -0.073 2.771 1.00 0.00 N ATOM 893 CA MET A 62 -6.386 0.415 3.249 1.00 0.00 C ATOM 894 C MET A 62 -7.148 1.122 2.132 1.00 0.00 C ATOM 895 O MET A 62 -8.364 0.977 2.010 1.00 0.00 O ATOM 896 CB MET A 62 -6.189 1.367 4.429 1.00 0.00 C ATOM 897 CG MET A 62 -5.458 0.737 5.603 1.00 0.00 C ATOM 898 SD MET A 62 -5.416 1.809 7.052 1.00 0.00 S ATOM 899 CE MET A 62 -4.758 0.688 8.284 1.00 0.00 C ATOM 0 H MET A 62 -4.369 0.639 2.721 1.00 0.00 H new ATOM 0 HA MET A 62 -6.972 -0.443 3.578 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.632 2.241 4.091 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.163 1.721 4.766 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.943 -0.203 5.866 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.438 0.497 5.304 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.623 1.221 9.225 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.453 -0.139 8.432 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.798 0.299 7.946 1.00 0.00 H new ATOM 909 N ASN A 63 -6.425 1.886 1.320 1.00 0.00 N ATOM 910 CA ASN A 63 -7.034 2.615 0.213 1.00 0.00 C ATOM 911 C ASN A 63 -6.204 2.467 -1.058 1.00 0.00 C ATOM 912 O ASN A 63 -5.169 3.114 -1.217 1.00 0.00 O ATOM 913 CB ASN A 63 -7.180 4.096 0.571 1.00 0.00 C ATOM 914 CG ASN A 63 -8.082 4.838 -0.396 1.00 0.00 C ATOM 915 OD1 ASN A 63 -7.912 4.751 -1.613 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.049 5.573 0.142 1.00 0.00 N ATOM 0 H ASN A 63 -5.417 2.017 1.407 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.022 2.192 0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.582 4.185 1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.196 4.564 0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.688 6.094 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.153 5.616 1.156 1.00 0.00 H new ATOM 923 N LYS A 64 -6.666 1.610 -1.963 1.00 0.00 N ATOM 924 CA LYS A 64 -5.970 1.377 -3.222 1.00 0.00 C ATOM 925 C LYS A 64 -6.761 1.945 -4.395 1.00 0.00 C ATOM 926 O LYS A 64 -6.755 1.384 -5.491 1.00 0.00 O ATOM 927 CB LYS A 64 -5.736 -0.122 -3.429 1.00 0.00 C ATOM 928 CG LYS A 64 -7.017 -0.919 -3.602 1.00 0.00 C ATOM 929 CD LYS A 64 -6.732 -2.339 -4.061 1.00 0.00 C ATOM 930 CE LYS A 64 -6.326 -2.381 -5.526 1.00 0.00 C ATOM 931 NZ LYS A 64 -5.485 -3.570 -5.835 1.00 0.00 N ATOM 0 H LYS A 64 -7.520 1.065 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.007 1.886 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.107 -0.265 -4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.185 -0.517 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.562 -0.943 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.660 -0.423 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.938 -2.767 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.618 -2.956 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.220 -2.396 -6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.777 -1.473 -5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.503 -3.268 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.515 -4.234 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.849 -4.040 -6.689 1.00 0.00 H new ATOM 945 N ASP A 65 -7.441 3.062 -4.159 1.00 0.00 N ATOM 946 CA ASP A 65 -8.235 3.708 -5.197 1.00 0.00 C ATOM 947 C ASP A 65 -7.400 3.945 -6.452 1.00 0.00 C ATOM 948 O ASP A 65 -7.887 3.789 -7.572 1.00 0.00 O ATOM 949 CB ASP A 65 -8.799 5.034 -4.686 1.00 0.00 C ATOM 950 CG ASP A 65 -10.158 4.873 -4.034 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.339 3.900 -3.273 1.00 0.00 O ATOM 952 OD2 ASP A 65 -11.042 5.719 -4.286 1.00 0.00 O ATOM 0 H ASP A 65 -7.458 3.539 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.062 3.045 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.104 5.468 -3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.879 5.736 -5.516 1.00 0.00 H new ATOM 957 N ASP A 66 -6.142 4.324 -6.256 1.00 0.00 N ATOM 958 CA ASP A 66 -5.239 4.583 -7.371 1.00 0.00 C ATOM 959 C ASP A 66 -4.342 3.379 -7.635 1.00 0.00 C ATOM 960 O ASP A 66 -3.601 2.922 -6.763 1.00 0.00 O ATOM 961 CB ASP A 66 -4.384 5.819 -7.087 1.00 0.00 C ATOM 962 CG ASP A 66 -5.166 7.110 -7.233 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.184 7.109 -7.957 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.761 8.121 -6.622 1.00 0.00 O ATOM 0 H ASP A 66 -5.724 4.459 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.843 4.765 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.981 5.754 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.534 5.834 -7.769 1.00 0.00 H new ATOM 969 N PRO A 67 -4.408 2.849 -8.866 1.00 0.00 N ATOM 970 CA PRO A 67 -3.608 1.690 -9.272 1.00 0.00 C ATOM 971 C PRO A 67 -2.124 2.021 -9.388 1.00 0.00 C ATOM 972 O PRO A 67 -1.315 1.170 -9.759 1.00 0.00 O ATOM 973 CB PRO A 67 -4.183 1.326 -10.643 1.00 0.00 C ATOM 974 CG PRO A 67 -4.765 2.596 -11.160 1.00 0.00 C ATOM 975 CD PRO A 67 -5.268 3.342 -9.955 1.00 0.00 C ATOM 0 HA PRO A 67 -3.662 0.882 -8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.408 0.946 -11.309 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.942 0.548 -10.560 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.016 3.179 -11.695 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.575 2.397 -11.862 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.176 4.421 -10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.320 3.132 -9.763 1.00 0.00 H new ATOM 983 N ASP A 68 -1.773 3.262 -9.069 1.00 0.00 N ATOM 984 CA ASP A 68 -0.385 3.705 -9.136 1.00 0.00 C ATOM 985 C ASP A 68 0.256 3.695 -7.752 1.00 0.00 C ATOM 986 O ASP A 68 1.373 3.207 -7.578 1.00 0.00 O ATOM 987 CB ASP A 68 -0.304 5.108 -9.739 1.00 0.00 C ATOM 988 CG ASP A 68 -1.410 5.373 -10.742 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.633 4.512 -11.619 1.00 0.00 O ATOM 990 OD2 ASP A 68 -2.052 6.440 -10.650 1.00 0.00 O ATOM 0 H ASP A 68 -2.430 3.979 -8.762 1.00 0.00 H new ATOM 0 HA ASP A 68 0.162 3.011 -9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.358 5.847 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.663 5.235 -10.227 1.00 0.00 H new ATOM 995 N TRP A 69 -0.457 4.237 -6.772 1.00 0.00 N ATOM 996 CA TRP A 69 0.043 4.290 -5.403 1.00 0.00 C ATOM 997 C TRP A 69 -1.000 3.768 -4.421 1.00 0.00 C ATOM 998 O TRP A 69 -2.198 3.987 -4.599 1.00 0.00 O ATOM 999 CB TRP A 69 0.433 5.723 -5.036 1.00 0.00 C ATOM 1000 CG TRP A 69 1.819 6.092 -5.472 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.263 6.238 -6.755 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.941 6.358 -4.624 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.594 6.579 -6.756 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.033 6.660 -5.461 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.130 6.373 -3.240 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.293 6.972 -4.957 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.381 6.682 -2.741 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.449 6.979 -3.598 1.00 0.00 C ATOM 0 H TRP A 69 -1.383 4.646 -6.899 1.00 0.00 H new ATOM 0 HA TRP A 69 0.925 3.653 -5.340 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.279 6.413 -5.490 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.354 5.848 -3.956 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.657 6.105 -7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.163 6.745 -7.586 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.312 6.147 -2.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.118 7.200 -5.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.538 6.695 -1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.414 7.218 -3.177 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.537 3.076 -3.386 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.432 2.522 -2.376 1.00 0.00 C ATOM 1021 C TRP A 70 -1.024 2.978 -0.979 1.00 0.00 C ATOM 1022 O TRP A 70 0.097 3.442 -0.771 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.431 0.994 -2.447 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.073 0.458 -3.691 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.960 1.107 -4.501 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.878 -0.840 -4.264 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.329 0.291 -5.543 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.678 -0.908 -5.422 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.104 -1.949 -3.914 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.725 -2.042 -6.228 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.152 -3.074 -4.715 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -1.958 -3.114 -5.861 1.00 0.00 C ATOM 0 H TRP A 70 0.452 2.885 -3.224 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.439 2.888 -2.578 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.403 0.635 -2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.953 0.596 -1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.319 2.114 -4.346 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.982 0.538 -6.286 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.479 -1.928 -3.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.345 -2.074 -7.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.558 -3.937 -4.453 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.974 -4.008 -6.466 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.941 2.843 -0.026 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.675 3.242 1.351 1.00 0.00 C ATOM 1045 C GLN A 71 -1.776 2.048 2.293 1.00 0.00 C ATOM 1046 O GLN A 71 -2.775 1.329 2.296 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.655 4.334 1.785 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.413 4.841 3.198 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.010 6.214 3.436 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.486 6.866 2.506 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.988 6.661 4.686 1.00 0.00 N ATOM 0 H GLN A 71 -2.874 2.461 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.659 3.634 1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.585 5.171 1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.672 3.947 1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.839 4.135 3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.340 4.878 3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.584 6.087 5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.376 7.578 4.906 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.734 1.841 3.093 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.726 0.732 4.028 1.00 0.00 C ATOM 1062 C GLY A 72 -0.156 1.117 5.379 1.00 0.00 C ATOM 1063 O GLY A 72 0.285 2.249 5.573 1.00 0.00 O ATOM 0 H GLY A 72 0.104 2.422 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.743 0.363 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.141 -0.087 3.610 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.168 0.173 6.316 1.00 0.00 N ATOM 1068 CA GLU A 73 0.350 0.422 7.656 1.00 0.00 C ATOM 1069 C GLU A 73 1.449 -0.576 8.009 1.00 0.00 C ATOM 1070 O GLU A 73 1.517 -1.667 7.442 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.779 0.339 8.686 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.298 -1.072 8.907 1.00 0.00 C ATOM 1073 CD GLU A 73 -1.821 -1.287 10.315 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.274 -0.303 10.937 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -1.777 -2.439 10.793 1.00 0.00 O ATOM 0 H GLU A 73 -0.530 -0.769 6.172 1.00 0.00 H new ATOM 0 HA GLU A 73 0.775 1.425 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.424 0.739 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.603 0.974 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.094 -1.278 8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.498 -1.785 8.708 1.00 0.00 H new ATOM 1082 N ILE A 74 2.308 -0.193 8.947 1.00 0.00 N ATOM 1083 CA ILE A 74 3.404 -1.054 9.376 1.00 0.00 C ATOM 1084 C ILE A 74 3.772 -0.791 10.832 1.00 0.00 C ATOM 1085 O ILE A 74 4.402 0.216 11.152 1.00 0.00 O ATOM 1086 CB ILE A 74 4.654 -0.853 8.499 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.252 -0.684 7.032 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.608 -2.027 8.660 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.400 -0.281 6.133 1.00 0.00 C ATOM 0 H ILE A 74 2.267 0.707 9.425 1.00 0.00 H new ATOM 0 HA ILE A 74 3.057 -2.082 9.271 1.00 0.00 H new ATOM 0 HB ILE A 74 5.166 0.053 8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.829 -1.621 6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.466 0.068 6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.487 -1.870 8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.915 -2.106 9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.107 -2.947 8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.042 -0.180 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.809 0.671 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.178 -1.044 6.172 1.00 0.00 H new ATOM 1101 N ASN A 75 3.374 -1.705 11.712 1.00 0.00 N ATOM 1102 CA ASN A 75 3.663 -1.574 13.135 1.00 0.00 C ATOM 1103 C ASN A 75 3.062 -0.288 13.695 1.00 0.00 C ATOM 1104 O ASN A 75 3.734 0.473 14.390 1.00 0.00 O ATOM 1105 CB ASN A 75 5.175 -1.589 13.373 1.00 0.00 C ATOM 1106 CG ASN A 75 5.714 -2.992 13.575 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.225 -3.741 14.421 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.728 -3.353 12.797 1.00 0.00 N ATOM 0 H ASN A 75 2.850 -2.544 11.464 1.00 0.00 H new ATOM 0 HA ASN A 75 3.212 -2.421 13.652 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.678 -1.128 12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.408 -0.983 14.249 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.134 -4.285 12.887 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.101 -2.699 12.109 1.00 0.00 H new ATOM 1115 N GLY A 76 1.789 -0.054 13.389 1.00 0.00 N ATOM 1116 CA GLY A 76 1.118 1.139 13.870 1.00 0.00 C ATOM 1117 C GLY A 76 1.550 2.388 13.126 1.00 0.00 C ATOM 1118 O GLY A 76 1.183 3.501 13.502 1.00 0.00 O ATOM 0 H GLY A 76 1.211 -0.670 12.817 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.040 1.013 13.766 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.323 1.264 14.933 1.00 0.00 H new ATOM 1122 N VAL A 77 2.334 2.203 12.069 1.00 0.00 N ATOM 1123 CA VAL A 77 2.817 3.323 11.270 1.00 0.00 C ATOM 1124 C VAL A 77 2.080 3.407 9.939 1.00 0.00 C ATOM 1125 O VAL A 77 1.647 2.393 9.390 1.00 0.00 O ATOM 1126 CB VAL A 77 4.330 3.209 11.001 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.587 2.428 9.722 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.963 4.591 10.929 1.00 0.00 C ATOM 0 H VAL A 77 2.648 1.288 11.746 1.00 0.00 H new ATOM 0 HA VAL A 77 2.625 4.229 11.845 1.00 0.00 H new ATOM 0 HB VAL A 77 4.789 2.667 11.827 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.661 2.358 9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.168 1.426 9.817 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.116 2.940 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.032 4.492 10.739 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.502 5.161 10.122 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.810 5.111 11.875 1.00 0.00 H new ATOM 1138 N THR A 78 1.940 4.624 9.422 1.00 0.00 N ATOM 1139 CA THR A 78 1.255 4.842 8.154 1.00 0.00 C ATOM 1140 C THR A 78 2.070 5.747 7.237 1.00 0.00 C ATOM 1141 O THR A 78 2.821 6.603 7.701 1.00 0.00 O ATOM 1142 CB THR A 78 -0.137 5.466 8.368 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.032 6.621 9.209 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.090 4.461 8.995 1.00 0.00 C ATOM 0 H THR A 78 2.292 5.474 9.862 1.00 0.00 H new ATOM 0 HA THR A 78 1.139 3.865 7.685 1.00 0.00 H new ATOM 0 HB THR A 78 -0.533 5.760 7.396 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.921 7.013 9.339 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.066 4.925 9.136 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.190 3.596 8.339 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.697 4.140 9.960 1.00 0.00 H new ATOM 1152 N GLY A 79 1.915 5.552 5.931 1.00 0.00 N ATOM 1153 CA GLY A 79 2.643 6.359 4.969 1.00 0.00 C ATOM 1154 C GLY A 79 2.117 6.193 3.557 1.00 0.00 C ATOM 1155 O GLY A 79 0.981 5.760 3.356 1.00 0.00 O ATOM 0 H GLY A 79 1.298 4.850 5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.578 7.408 5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.698 6.086 4.995 1.00 0.00 H new ATOM 1159 N LEU A 80 2.943 6.538 2.575 1.00 0.00 N ATOM 1160 CA LEU A 80 2.555 6.427 1.174 1.00 0.00 C ATOM 1161 C LEU A 80 3.609 5.666 0.375 1.00 0.00 C ATOM 1162 O LEU A 80 4.807 5.917 0.513 1.00 0.00 O ATOM 1163 CB LEU A 80 2.345 7.816 0.570 1.00 0.00 C ATOM 1164 CG LEU A 80 1.065 8.542 0.984 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.065 9.968 0.457 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.160 7.788 0.486 1.00 0.00 C ATOM 0 H LEU A 80 3.886 6.897 2.724 1.00 0.00 H new ATOM 0 HA LEU A 80 1.618 5.872 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.197 8.440 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.351 7.723 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 80 1.027 8.579 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.146 10.469 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.922 10.506 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.127 9.954 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.062 8.319 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.128 7.719 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.168 6.785 0.913 1.00 0.00 H new ATOM 1178 N PHE A 81 3.155 4.738 -0.460 1.00 0.00 N ATOM 1179 CA PHE A 81 4.059 3.942 -1.282 1.00 0.00 C ATOM 1180 C PHE A 81 3.371 3.490 -2.567 1.00 0.00 C ATOM 1181 O PHE A 81 2.147 3.377 -2.639 1.00 0.00 O ATOM 1182 CB PHE A 81 4.554 2.723 -0.500 1.00 0.00 C ATOM 1183 CG PHE A 81 3.448 1.926 0.129 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.485 1.313 -0.656 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.372 1.788 1.506 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.466 0.578 -0.080 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.356 1.054 2.087 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.401 0.449 1.294 1.00 0.00 C ATOM 0 H PHE A 81 2.167 4.518 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 81 4.912 4.566 -1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.121 2.077 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.240 3.055 0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.531 1.411 -1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.115 2.260 2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.721 0.105 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.309 0.953 3.161 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.605 -0.124 1.747 1.00 0.00 H new ATOM 1198 N PRO A 82 4.175 3.226 -3.607 1.00 0.00 N ATOM 1199 CA PRO A 82 3.667 2.783 -4.909 1.00 0.00 C ATOM 1200 C PRO A 82 3.103 1.367 -4.859 1.00 0.00 C ATOM 1201 O PRO A 82 3.611 0.512 -4.134 1.00 0.00 O ATOM 1202 CB PRO A 82 4.903 2.836 -5.810 1.00 0.00 C ATOM 1203 CG PRO A 82 6.056 2.679 -4.879 1.00 0.00 C ATOM 1204 CD PRO A 82 5.643 3.340 -3.593 1.00 0.00 C ATOM 0 HA PRO A 82 2.843 3.405 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.884 2.041 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.958 3.780 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.288 1.626 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.953 3.145 -5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.077 2.840 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.965 4.381 -3.555 1.00 0.00 H new ATOM 1212 N SER A 83 2.052 1.126 -5.636 1.00 0.00 N ATOM 1213 CA SER A 83 1.418 -0.187 -5.678 1.00 0.00 C ATOM 1214 C SER A 83 2.258 -1.170 -6.486 1.00 0.00 C ATOM 1215 O SER A 83 1.843 -2.303 -6.731 1.00 0.00 O ATOM 1216 CB SER A 83 0.016 -0.080 -6.281 1.00 0.00 C ATOM 1217 OG SER A 83 0.068 0.411 -7.609 1.00 0.00 O ATOM 0 H SER A 83 1.622 1.822 -6.245 1.00 0.00 H new ATOM 0 HA SER A 83 1.339 -0.558 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.463 -1.059 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.597 0.582 -5.669 1.00 0.00 H new ATOM 0 HG SER A 83 -0.801 0.276 -8.042 1.00 0.00 H new ATOM 1223 N ASN A 84 3.442 -0.729 -6.898 1.00 0.00 N ATOM 1224 CA ASN A 84 4.341 -1.569 -7.680 1.00 0.00 C ATOM 1225 C ASN A 84 5.447 -2.146 -6.802 1.00 0.00 C ATOM 1226 O ASN A 84 6.177 -3.047 -7.216 1.00 0.00 O ATOM 1227 CB ASN A 84 4.954 -0.766 -8.829 1.00 0.00 C ATOM 1228 CG ASN A 84 3.927 -0.379 -9.876 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.241 -1.235 -10.435 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.817 0.917 -10.146 1.00 0.00 N ATOM 0 H ASN A 84 3.801 0.206 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 84 3.760 -2.394 -8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.420 0.135 -8.431 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.744 -1.353 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.143 1.238 -10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.406 1.591 -9.658 1.00 0.00 H new ATOM 1237 N TYR A 85 5.565 -1.621 -5.587 1.00 0.00 N ATOM 1238 CA TYR A 85 6.583 -2.082 -4.651 1.00 0.00 C ATOM 1239 C TYR A 85 6.000 -3.092 -3.667 1.00 0.00 C ATOM 1240 O TYR A 85 6.541 -3.302 -2.581 1.00 0.00 O ATOM 1241 CB TYR A 85 7.180 -0.898 -3.889 1.00 0.00 C ATOM 1242 CG TYR A 85 8.394 -0.296 -4.560 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.272 0.436 -5.735 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.663 -0.458 -4.019 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.378 0.986 -6.352 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.775 0.090 -4.628 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.628 0.811 -5.794 1.00 0.00 C ATOM 1248 OH TYR A 85 11.732 1.359 -6.405 1.00 0.00 O ATOM 0 H TYR A 85 4.968 -0.876 -5.228 1.00 0.00 H new ATOM 0 HA TYR A 85 7.371 -2.571 -5.223 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.418 -0.127 -3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.454 -1.224 -2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.295 0.577 -6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.782 -1.022 -3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.266 1.550 -7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.754 -0.046 -4.193 1.00 0.00 H new ATOM 0 HH TYR A 85 12.534 1.145 -5.884 1.00 0.00 H new ATOM 1258 N VAL A 86 4.893 -3.716 -4.056 1.00 0.00 N ATOM 1259 CA VAL A 86 4.236 -4.706 -3.210 1.00 0.00 C ATOM 1260 C VAL A 86 3.496 -5.742 -4.050 1.00 0.00 C ATOM 1261 O VAL A 86 3.022 -5.445 -5.146 1.00 0.00 O ATOM 1262 CB VAL A 86 3.241 -4.043 -2.239 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.962 -3.074 -1.315 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.136 -3.337 -3.009 1.00 0.00 C ATOM 0 H VAL A 86 4.432 -3.554 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 86 5.019 -5.200 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 86 2.785 -4.820 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.243 -2.615 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.713 -3.613 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.447 -2.299 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.442 -2.874 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.571 -2.569 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.601 -4.061 -3.624 1.00 0.00 H new ATOM 1274 N LYS A 87 3.401 -6.960 -3.527 1.00 0.00 N ATOM 1275 CA LYS A 87 2.717 -8.041 -4.226 1.00 0.00 C ATOM 1276 C LYS A 87 1.620 -8.644 -3.355 1.00 0.00 C ATOM 1277 O LYS A 87 1.790 -8.802 -2.147 1.00 0.00 O ATOM 1278 CB LYS A 87 3.717 -9.127 -4.630 1.00 0.00 C ATOM 1279 CG LYS A 87 3.069 -10.342 -5.273 1.00 0.00 C ATOM 1280 CD LYS A 87 4.057 -11.487 -5.422 1.00 0.00 C ATOM 1281 CE LYS A 87 4.318 -12.174 -4.090 1.00 0.00 C ATOM 1282 NZ LYS A 87 3.099 -12.851 -3.567 1.00 0.00 N ATOM 0 H LYS A 87 3.789 -7.223 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 87 2.257 -7.627 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.441 -8.702 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.271 -9.446 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.222 -10.667 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.675 -10.070 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.670 -12.213 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.995 -11.109 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.117 -12.906 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.665 -11.439 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.375 -13.581 -2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.486 -12.152 -3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.583 -13.294 -4.354 1.00 0.00 H new