USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 Single : A 38 MET CE :methyl -172:sc= 0 (180deg=-0.0977) USER MOD Single : A 40 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.44! C(o=-1.4!,f=-2.6!) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.0178 (180deg=-0.0519) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 78:sc= -1.36! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 72 TYR OH : rot -98:sc= 0.507 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 76 MET CE :methyl 158:sc= -5.71! (180deg=-6.58!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -162:sc= 0.433 (180deg=0.293) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.203 0.282 6.577 1.00 0.00 N ATOM 525 CA GLU A 37 15.718 1.289 7.513 1.00 0.00 C ATOM 526 C GLU A 37 14.562 2.081 6.910 1.00 0.00 C ATOM 527 O GLU A 37 13.583 2.385 7.590 1.00 0.00 O ATOM 528 CB GLU A 37 16.852 2.238 7.907 1.00 0.00 C ATOM 529 CG GLU A 37 17.949 1.572 8.720 1.00 0.00 C ATOM 530 CD GLU A 37 17.428 0.940 9.996 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.718 1.633 10.754 1.00 0.00 O ATOM 532 OE2 GLU A 37 17.730 -0.248 10.237 1.00 0.00 O ATOM 0 HA GLU A 37 15.357 0.776 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.289 2.663 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.438 3.067 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.433 0.808 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.710 2.311 8.970 1.00 0.00 H new ATOM 539 N MET A 38 14.685 2.414 5.629 1.00 0.00 N ATOM 540 CA MET A 38 13.651 3.171 4.934 1.00 0.00 C ATOM 541 C MET A 38 12.412 2.311 4.701 1.00 0.00 C ATOM 542 O MET A 38 11.298 2.708 5.041 1.00 0.00 O ATOM 543 CB MET A 38 14.182 3.693 3.598 1.00 0.00 C ATOM 544 CG MET A 38 14.596 2.591 2.636 1.00 0.00 C ATOM 545 SD MET A 38 15.569 3.209 1.249 1.00 0.00 S ATOM 546 CE MET A 38 14.362 4.241 0.422 1.00 0.00 C ATOM 0 H MET A 38 15.490 2.171 5.052 1.00 0.00 H new ATOM 0 HA MET A 38 13.372 4.018 5.561 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.415 4.307 3.126 1.00 0.00 H new ATOM 0 HB3 MET A 38 15.038 4.341 3.785 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.175 1.842 3.176 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.705 2.092 2.256 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.766 4.581 -0.531 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.452 3.667 0.246 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.132 5.104 1.047 1.00 0.00 H new ATOM 556 N ARG A 39 12.616 1.133 4.119 1.00 0.00 N ATOM 557 CA ARG A 39 11.515 0.219 3.840 1.00 0.00 C ATOM 558 C ARG A 39 10.725 -0.085 5.109 1.00 0.00 C ATOM 559 O ARG A 39 9.497 -0.154 5.086 1.00 0.00 O ATOM 560 CB ARG A 39 12.045 -1.081 3.233 1.00 0.00 C ATOM 561 CG ARG A 39 12.409 -2.132 4.268 1.00 0.00 C ATOM 562 CD ARG A 39 13.054 -3.349 3.623 1.00 0.00 C ATOM 563 NE ARG A 39 12.069 -4.212 2.977 1.00 0.00 N ATOM 564 CZ ARG A 39 12.367 -5.072 2.009 1.00 0.00 C ATOM 565 NH1 ARG A 39 13.616 -5.183 1.579 1.00 0.00 N ATOM 566 NH2 ARG A 39 11.415 -5.823 1.470 1.00 0.00 N ATOM 0 H ARG A 39 13.533 0.790 3.832 1.00 0.00 H new ATOM 0 HA ARG A 39 10.848 0.701 3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.292 -1.491 2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.925 -0.858 2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.092 -1.702 5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.513 -2.437 4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.788 -3.023 2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.593 -3.918 4.381 1.00 0.00 H new ATOM 0 HE ARG A 39 11.099 -4.151 3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.350 -4.608 1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.843 -5.844 0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.453 -5.740 1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.645 -6.483 0.727 1.00 0.00 H new ATOM 580 N ASN A 40 11.439 -0.266 6.215 1.00 0.00 N ATOM 581 CA ASN A 40 10.805 -0.563 7.495 1.00 0.00 C ATOM 582 C ASN A 40 9.757 0.490 7.840 1.00 0.00 C ATOM 583 O ASN A 40 8.589 0.170 8.059 1.00 0.00 O ATOM 584 CB ASN A 40 11.856 -0.636 8.604 1.00 0.00 C ATOM 585 CG ASN A 40 11.369 -1.412 9.812 1.00 0.00 C ATOM 586 OD1 ASN A 40 10.345 -1.076 10.408 1.00 0.00 O ATOM 587 ND2 ASN A 40 12.102 -2.456 10.180 1.00 0.00 N ATOM 0 H ASN A 40 12.457 -0.212 6.251 1.00 0.00 H new ATOM 0 HA ASN A 40 10.309 -1.530 7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.759 -1.105 8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.128 0.374 8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.824 -3.016 10.986 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.943 -2.698 9.657 1.00 0.00 H new ATOM 594 N SER A 41 10.183 1.748 7.887 1.00 0.00 N ATOM 595 CA SER A 41 9.282 2.849 8.209 1.00 0.00 C ATOM 596 C SER A 41 8.067 2.844 7.287 1.00 0.00 C ATOM 597 O SER A 41 6.925 2.876 7.747 1.00 0.00 O ATOM 598 CB SER A 41 10.017 4.186 8.095 1.00 0.00 C ATOM 599 OG SER A 41 9.372 5.188 8.863 1.00 0.00 O ATOM 0 H SER A 41 11.146 2.030 7.706 1.00 0.00 H new ATOM 0 HA SER A 41 8.938 2.717 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.046 4.069 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.059 4.494 7.050 1.00 0.00 H new ATOM 0 HG SER A 41 9.861 6.033 8.776 1.00 0.00 H new ATOM 605 N ILE A 42 8.321 2.803 5.983 1.00 0.00 N ATOM 606 CA ILE A 42 7.248 2.792 4.997 1.00 0.00 C ATOM 607 C ILE A 42 6.226 1.704 5.308 1.00 0.00 C ATOM 608 O ILE A 42 5.042 1.986 5.501 1.00 0.00 O ATOM 609 CB ILE A 42 7.795 2.575 3.573 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.830 3.648 3.232 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.658 2.587 2.562 1.00 0.00 C ATOM 612 CD1 ILE A 42 9.892 3.177 2.263 1.00 0.00 C ATOM 0 H ILE A 42 9.260 2.777 5.585 1.00 0.00 H new ATOM 0 HA ILE A 42 6.763 3.767 5.047 1.00 0.00 H new ATOM 0 HB ILE A 42 8.282 1.601 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.319 4.512 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.311 3.983 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.060 2.433 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.953 1.789 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.145 3.548 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.592 3.989 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.429 2.332 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.422 2.870 1.329 1.00 0.00 H new ATOM 624 N LEU A 43 6.690 0.460 5.356 1.00 0.00 N ATOM 625 CA LEU A 43 5.816 -0.672 5.646 1.00 0.00 C ATOM 626 C LEU A 43 4.962 -0.398 6.880 1.00 0.00 C ATOM 627 O LEU A 43 3.734 -0.448 6.820 1.00 0.00 O ATOM 628 CB LEU A 43 6.645 -1.940 5.857 1.00 0.00 C ATOM 629 CG LEU A 43 7.109 -2.657 4.589 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.245 -3.617 4.904 1.00 0.00 C ATOM 631 CD2 LEU A 43 5.948 -3.397 3.940 1.00 0.00 C ATOM 0 H LEU A 43 7.666 0.209 5.198 1.00 0.00 H new ATOM 0 HA LEU A 43 5.153 -0.816 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.525 -1.681 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.057 -2.640 6.452 1.00 0.00 H new ATOM 0 HG LEU A 43 7.477 -1.910 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.562 -4.118 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.084 -3.062 5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.904 -4.360 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.296 -3.902 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.551 -4.134 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.164 -2.686 3.678 1.00 0.00 H new ATOM 643 N ALA A 44 5.620 -0.106 7.997 1.00 0.00 N ATOM 644 CA ALA A 44 4.921 0.180 9.243 1.00 0.00 C ATOM 645 C ALA A 44 3.873 1.270 9.047 1.00 0.00 C ATOM 646 O ALA A 44 2.804 1.232 9.654 1.00 0.00 O ATOM 647 CB ALA A 44 5.913 0.586 10.324 1.00 0.00 C ATOM 0 H ALA A 44 6.637 -0.061 8.064 1.00 0.00 H new ATOM 0 HA ALA A 44 4.408 -0.728 9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.377 0.797 11.249 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.621 -0.226 10.492 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.453 1.478 10.006 1.00 0.00 H new ATOM 653 N GLN A 45 4.189 2.242 8.197 1.00 0.00 N ATOM 654 CA GLN A 45 3.275 3.344 7.923 1.00 0.00 C ATOM 655 C GLN A 45 2.042 2.854 7.169 1.00 0.00 C ATOM 656 O GLN A 45 0.925 3.300 7.429 1.00 0.00 O ATOM 657 CB GLN A 45 3.982 4.433 7.114 1.00 0.00 C ATOM 658 CG GLN A 45 4.919 5.295 7.945 1.00 0.00 C ATOM 659 CD GLN A 45 5.323 6.571 7.232 1.00 0.00 C ATOM 660 OE1 GLN A 45 4.710 7.622 7.422 1.00 0.00 O ATOM 661 NE2 GLN A 45 6.360 6.486 6.407 1.00 0.00 N ATOM 0 H GLN A 45 5.071 2.288 7.687 1.00 0.00 H new ATOM 0 HA GLN A 45 2.954 3.761 8.877 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.549 3.966 6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.232 5.072 6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.434 5.548 8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.813 4.721 8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.839 5.594 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.678 7.312 5.901 1.00 0.00 H new ATOM 670 N VAL A 46 2.254 1.934 6.234 1.00 0.00 N ATOM 671 CA VAL A 46 1.160 1.383 5.442 1.00 0.00 C ATOM 672 C VAL A 46 0.601 0.118 6.084 1.00 0.00 C ATOM 673 O VAL A 46 -0.161 -0.623 5.461 1.00 0.00 O ATOM 674 CB VAL A 46 1.614 1.059 4.007 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.153 2.306 3.323 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.658 -0.047 4.015 1.00 0.00 C ATOM 0 H VAL A 46 3.173 1.554 6.006 1.00 0.00 H new ATOM 0 HA VAL A 46 0.381 2.144 5.405 1.00 0.00 H new ATOM 0 HB VAL A 46 0.750 0.708 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.469 2.057 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.372 3.066 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.005 2.690 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.967 -0.263 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.523 0.273 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.233 -0.945 4.463 1.00 0.00 H new ATOM 686 N LEU A 47 0.982 -0.123 7.334 1.00 0.00 N ATOM 687 CA LEU A 47 0.518 -1.298 8.062 1.00 0.00 C ATOM 688 C LEU A 47 -0.057 -0.906 9.420 1.00 0.00 C ATOM 689 O LEU A 47 0.683 -0.558 10.340 1.00 0.00 O ATOM 690 CB LEU A 47 1.665 -2.293 8.248 1.00 0.00 C ATOM 691 CG LEU A 47 2.092 -3.067 7.001 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.316 -3.919 7.294 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.948 -3.931 6.491 1.00 0.00 C ATOM 0 H LEU A 47 1.611 0.480 7.864 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.272 -1.769 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.531 -1.751 8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.375 -3.011 9.015 1.00 0.00 H new ATOM 0 HG LEU A 47 2.353 -2.349 6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.605 -4.462 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.139 -3.278 7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.084 -4.629 8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.270 -4.475 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.655 -4.641 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.098 -3.297 6.240 1.00 0.00 H new ATOM 705 N ASP A 48 -1.378 -0.967 9.537 1.00 0.00 N ATOM 706 CA ASP A 48 -2.052 -0.622 10.783 1.00 0.00 C ATOM 707 C ASP A 48 -1.574 -1.514 11.925 1.00 0.00 C ATOM 708 O ASP A 48 -1.079 -2.617 11.696 1.00 0.00 O ATOM 709 CB ASP A 48 -3.568 -0.748 10.621 1.00 0.00 C ATOM 710 CG ASP A 48 -4.183 0.471 9.961 1.00 0.00 C ATOM 711 OD1 ASP A 48 -4.144 1.559 10.572 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.703 0.336 8.834 1.00 0.00 O ATOM 0 H ASP A 48 -2.004 -1.252 8.784 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.806 0.412 11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.795 -1.633 10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.024 -0.897 11.600 1.00 0.00 H new ATOM 717 N GLN A 49 -1.726 -1.028 13.152 1.00 0.00 N ATOM 718 CA GLN A 49 -1.308 -1.781 14.329 1.00 0.00 C ATOM 719 C GLN A 49 -1.734 -3.242 14.219 1.00 0.00 C ATOM 720 O GLN A 49 -0.970 -4.148 14.553 1.00 0.00 O ATOM 721 CB GLN A 49 -1.899 -1.159 15.595 1.00 0.00 C ATOM 722 CG GLN A 49 -1.138 -1.518 16.861 1.00 0.00 C ATOM 723 CD GLN A 49 -1.770 -0.931 18.108 1.00 0.00 C ATOM 724 OE1 GLN A 49 -2.755 -1.459 18.626 1.00 0.00 O ATOM 725 NE2 GLN A 49 -1.206 0.166 18.598 1.00 0.00 N ATOM 0 H GLN A 49 -2.135 -0.117 13.358 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.220 -1.742 14.388 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.913 -0.075 15.485 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.935 -1.482 15.699 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.092 -2.603 16.958 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.111 -1.162 16.777 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.391 0.570 18.137 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.588 0.605 19.436 1.00 0.00 H new ATOM 734 N SER A 50 -2.957 -3.463 13.750 1.00 0.00 N ATOM 735 CA SER A 50 -3.486 -4.814 13.601 1.00 0.00 C ATOM 736 C SER A 50 -2.593 -5.649 12.688 1.00 0.00 C ATOM 737 O SER A 50 -2.017 -6.650 13.112 1.00 0.00 O ATOM 738 CB SER A 50 -4.908 -4.768 13.039 1.00 0.00 C ATOM 739 OG SER A 50 -5.744 -3.943 13.832 1.00 0.00 O ATOM 0 H SER A 50 -3.601 -2.724 13.466 1.00 0.00 H new ATOM 0 HA SER A 50 -3.507 -5.281 14.586 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.886 -4.392 12.016 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.319 -5.777 12.999 1.00 0.00 H new ATOM 0 HG SER A 50 -6.647 -3.929 13.451 1.00 0.00 H new ATOM 745 N ALA A 51 -2.484 -5.229 11.432 1.00 0.00 N ATOM 746 CA ALA A 51 -1.661 -5.936 10.459 1.00 0.00 C ATOM 747 C ALA A 51 -0.257 -6.181 11.003 1.00 0.00 C ATOM 748 O ALA A 51 0.237 -7.308 10.984 1.00 0.00 O ATOM 749 CB ALA A 51 -1.594 -5.153 9.156 1.00 0.00 C ATOM 0 H ALA A 51 -2.955 -4.403 11.064 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.122 -6.904 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.976 -5.693 8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.599 -5.033 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.159 -4.171 9.343 1.00 0.00 H new ATOM 755 N ARG A 52 0.379 -5.119 11.485 1.00 0.00 N ATOM 756 CA ARG A 52 1.727 -5.220 12.033 1.00 0.00 C ATOM 757 C ARG A 52 1.916 -6.541 12.773 1.00 0.00 C ATOM 758 O ARG A 52 2.772 -7.348 12.413 1.00 0.00 O ATOM 759 CB ARG A 52 2.006 -4.049 12.977 1.00 0.00 C ATOM 760 CG ARG A 52 2.155 -2.715 12.266 1.00 0.00 C ATOM 761 CD ARG A 52 3.595 -2.466 11.844 1.00 0.00 C ATOM 762 NE ARG A 52 4.455 -2.167 12.985 1.00 0.00 N ATOM 763 CZ ARG A 52 5.778 -2.284 12.958 1.00 0.00 C ATOM 764 NH1 ARG A 52 6.389 -2.692 11.854 1.00 0.00 N ATOM 765 NH2 ARG A 52 6.493 -1.993 14.037 1.00 0.00 N ATOM 0 H ARG A 52 -0.017 -4.179 11.508 1.00 0.00 H new ATOM 0 HA ARG A 52 2.433 -5.185 11.203 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.195 -3.976 13.701 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.917 -4.255 13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.509 -2.695 11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.824 -1.912 12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.977 -3.344 11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.628 -1.636 11.138 1.00 0.00 H new ATOM 0 HE ARG A 52 4.016 -1.851 13.850 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.843 -2.917 11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.405 -2.781 11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.027 -1.679 14.888 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.509 -2.083 14.015 1.00 0.00 H new ATOM 779 N ALA A 53 1.111 -6.753 13.809 1.00 0.00 N ATOM 780 CA ALA A 53 1.188 -7.976 14.598 1.00 0.00 C ATOM 781 C ALA A 53 1.140 -9.210 13.705 1.00 0.00 C ATOM 782 O ALA A 53 1.989 -10.095 13.806 1.00 0.00 O ATOM 783 CB ALA A 53 0.061 -8.016 15.620 1.00 0.00 C ATOM 0 H ALA A 53 0.398 -6.094 14.121 1.00 0.00 H new ATOM 0 HA ALA A 53 2.142 -7.980 15.125 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.130 -8.935 16.202 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.143 -7.157 16.286 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.899 -7.985 15.105 1.00 0.00 H new ATOM 789 N ARG A 54 0.140 -9.264 12.831 1.00 0.00 N ATOM 790 CA ARG A 54 -0.020 -10.391 11.921 1.00 0.00 C ATOM 791 C ARG A 54 1.278 -10.673 11.171 1.00 0.00 C ATOM 792 O ARG A 54 1.850 -11.758 11.283 1.00 0.00 O ATOM 793 CB ARG A 54 -1.148 -10.114 10.924 1.00 0.00 C ATOM 794 CG ARG A 54 -2.534 -10.404 11.477 1.00 0.00 C ATOM 795 CD ARG A 54 -2.911 -11.866 11.296 1.00 0.00 C ATOM 796 NE ARG A 54 -4.048 -12.245 12.130 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.936 -12.606 13.404 1.00 0.00 C ATOM 798 NH1 ARG A 54 -2.746 -12.636 13.986 1.00 0.00 N ATOM 799 NH2 ARG A 54 -5.018 -12.937 14.097 1.00 0.00 N ATOM 0 H ARG A 54 -0.572 -8.540 12.734 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.276 -11.270 12.513 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.100 -9.070 10.615 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.989 -10.718 10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.566 -10.147 12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.267 -9.773 10.974 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.152 -12.051 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.055 -12.494 11.543 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.978 -12.232 11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.913 -12.382 13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.663 -12.914 14.964 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.935 -12.914 13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.932 -13.214 15.075 1.00 0.00 H new ATOM 813 N LEU A 55 1.738 -9.690 10.405 1.00 0.00 N ATOM 814 CA LEU A 55 2.970 -9.832 9.636 1.00 0.00 C ATOM 815 C LEU A 55 4.041 -10.549 10.450 1.00 0.00 C ATOM 816 O LEU A 55 4.540 -11.600 10.050 1.00 0.00 O ATOM 817 CB LEU A 55 3.480 -8.458 9.196 1.00 0.00 C ATOM 818 CG LEU A 55 4.624 -8.461 8.181 1.00 0.00 C ATOM 819 CD1 LEU A 55 4.093 -8.719 6.779 1.00 0.00 C ATOM 820 CD2 LEU A 55 5.385 -7.144 8.231 1.00 0.00 C ATOM 0 H LEU A 55 1.277 -8.786 10.300 1.00 0.00 H new ATOM 0 HA LEU A 55 2.751 -10.432 8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.645 -7.902 8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.808 -7.913 10.082 1.00 0.00 H new ATOM 0 HG LEU A 55 5.312 -9.265 8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.921 -8.718 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.594 -9.687 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.383 -7.937 6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.195 -7.164 7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.707 -6.323 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.798 -7.000 9.229 1.00 0.00 H new ATOM 832 N SER A 56 4.390 -9.973 11.597 1.00 0.00 N ATOM 833 CA SER A 56 5.403 -10.557 12.468 1.00 0.00 C ATOM 834 C SER A 56 5.069 -12.009 12.795 1.00 0.00 C ATOM 835 O SER A 56 5.882 -12.907 12.584 1.00 0.00 O ATOM 836 CB SER A 56 5.524 -9.746 13.759 1.00 0.00 C ATOM 837 OG SER A 56 6.634 -10.174 14.529 1.00 0.00 O ATOM 0 H SER A 56 3.986 -9.103 11.944 1.00 0.00 H new ATOM 0 HA SER A 56 6.357 -10.533 11.941 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.631 -8.688 13.519 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.610 -9.850 14.344 1.00 0.00 H new ATOM 0 HG SER A 56 6.690 -9.639 15.348 1.00 0.00 H new ATOM 843 N ASN A 57 3.864 -12.230 13.312 1.00 0.00 N ATOM 844 CA ASN A 57 3.421 -13.572 13.669 1.00 0.00 C ATOM 845 C ASN A 57 3.727 -14.562 12.550 1.00 0.00 C ATOM 846 O ASN A 57 4.303 -15.625 12.786 1.00 0.00 O ATOM 847 CB ASN A 57 1.920 -13.573 13.969 1.00 0.00 C ATOM 848 CG ASN A 57 1.363 -14.974 14.126 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.103 -15.957 14.088 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.050 -15.073 14.303 1.00 0.00 N ATOM 0 H ASN A 57 3.178 -11.497 13.493 1.00 0.00 H new ATOM 0 HA ASN A 57 3.964 -13.881 14.562 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.734 -13.007 14.882 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.391 -13.063 13.164 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.382 -15.990 14.414 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.526 -14.232 14.328 1.00 0.00 H new ATOM 857 N LEU A 58 3.339 -14.207 11.330 1.00 0.00 N ATOM 858 CA LEU A 58 3.572 -15.063 10.172 1.00 0.00 C ATOM 859 C LEU A 58 5.047 -15.436 10.059 1.00 0.00 C ATOM 860 O LEU A 58 5.389 -16.599 9.852 1.00 0.00 O ATOM 861 CB LEU A 58 3.111 -14.362 8.893 1.00 0.00 C ATOM 862 CG LEU A 58 2.666 -15.275 7.750 1.00 0.00 C ATOM 863 CD1 LEU A 58 1.208 -15.673 7.922 1.00 0.00 C ATOM 864 CD2 LEU A 58 2.880 -14.592 6.408 1.00 0.00 C ATOM 0 H LEU A 58 2.861 -13.331 11.117 1.00 0.00 H new ATOM 0 HA LEU A 58 2.994 -15.978 10.305 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.284 -13.698 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.926 -13.734 8.533 1.00 0.00 H new ATOM 0 HG LEU A 58 3.273 -16.180 7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.909 -16.323 7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.085 -16.203 8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.585 -14.779 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.558 -15.256 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.298 -13.671 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.937 -14.359 6.283 1.00 0.00 H new ATOM 876 N ALA A 59 5.916 -14.440 10.199 1.00 0.00 N ATOM 877 CA ALA A 59 7.354 -14.663 10.117 1.00 0.00 C ATOM 878 C ALA A 59 7.737 -16.005 10.732 1.00 0.00 C ATOM 879 O ALA A 59 8.695 -16.647 10.300 1.00 0.00 O ATOM 880 CB ALA A 59 8.104 -13.531 10.803 1.00 0.00 C ATOM 0 H ALA A 59 5.649 -13.471 10.370 1.00 0.00 H new ATOM 0 HA ALA A 59 7.635 -14.683 9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.177 -13.711 10.734 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.862 -12.586 10.316 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.811 -13.483 11.852 1.00 0.00 H new ATOM 886 N LEU A 60 6.984 -16.423 11.744 1.00 0.00 N ATOM 887 CA LEU A 60 7.245 -17.689 12.420 1.00 0.00 C ATOM 888 C LEU A 60 6.915 -18.869 11.512 1.00 0.00 C ATOM 889 O LEU A 60 7.748 -19.749 11.292 1.00 0.00 O ATOM 890 CB LEU A 60 6.428 -17.778 13.710 1.00 0.00 C ATOM 891 CG LEU A 60 6.669 -16.670 14.735 1.00 0.00 C ATOM 892 CD1 LEU A 60 5.556 -16.651 15.772 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.023 -16.848 15.406 1.00 0.00 C ATOM 0 H LEU A 60 6.188 -15.904 12.114 1.00 0.00 H new ATOM 0 HA LEU A 60 8.306 -17.730 12.666 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.370 -17.778 13.447 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.639 -18.736 14.184 1.00 0.00 H new ATOM 0 HG LEU A 60 6.668 -15.713 14.213 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.744 -15.856 16.493 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.601 -16.473 15.278 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.524 -17.610 16.289 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.177 -16.050 16.132 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.053 -17.812 15.914 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.810 -16.810 14.653 1.00 0.00 H new ATOM 905 N VAL A 61 5.694 -18.881 10.986 1.00 0.00 N ATOM 906 CA VAL A 61 5.254 -19.952 10.099 1.00 0.00 C ATOM 907 C VAL A 61 6.096 -19.993 8.829 1.00 0.00 C ATOM 908 O VAL A 61 6.808 -20.964 8.574 1.00 0.00 O ATOM 909 CB VAL A 61 3.772 -19.789 9.715 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.286 -21.000 8.934 1.00 0.00 C ATOM 911 CG2 VAL A 61 2.921 -19.569 10.957 1.00 0.00 C ATOM 0 H VAL A 61 4.992 -18.161 11.159 1.00 0.00 H new ATOM 0 HA VAL A 61 5.379 -20.887 10.645 1.00 0.00 H new ATOM 0 HB VAL A 61 3.675 -18.912 9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.237 -20.866 8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.877 -21.107 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.396 -21.895 9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.876 -19.456 10.667 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.022 -20.426 11.623 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.254 -18.668 11.472 1.00 0.00 H new ATOM 921 N LYS A 62 6.009 -18.932 8.033 1.00 0.00 N ATOM 922 CA LYS A 62 6.763 -18.844 6.789 1.00 0.00 C ATOM 923 C LYS A 62 7.413 -17.472 6.642 1.00 0.00 C ATOM 924 O LYS A 62 6.785 -16.504 6.212 1.00 0.00 O ATOM 925 CB LYS A 62 5.847 -19.117 5.593 1.00 0.00 C ATOM 926 CG LYS A 62 4.466 -18.502 5.732 1.00 0.00 C ATOM 927 CD LYS A 62 3.413 -19.324 5.008 1.00 0.00 C ATOM 928 CE LYS A 62 2.051 -19.196 5.672 1.00 0.00 C ATOM 929 NZ LYS A 62 1.258 -18.073 5.101 1.00 0.00 N ATOM 0 H LYS A 62 5.423 -18.120 8.228 1.00 0.00 H new ATOM 0 HA LYS A 62 7.550 -19.598 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.318 -18.730 4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.744 -20.194 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.206 -18.425 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.476 -17.488 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.345 -18.997 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.715 -20.371 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.499 -20.128 5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.182 -19.040 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.432 -17.888 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.850 -17.219 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.937 -18.326 4.145 1.00 0.00 H new ATOM 943 N PRO A 63 8.701 -17.385 7.005 1.00 0.00 N ATOM 944 CA PRO A 63 9.464 -16.136 6.921 1.00 0.00 C ATOM 945 C PRO A 63 9.741 -15.723 5.479 1.00 0.00 C ATOM 946 O PRO A 63 9.876 -14.537 5.180 1.00 0.00 O ATOM 947 CB PRO A 63 10.772 -16.470 7.642 1.00 0.00 C ATOM 948 CG PRO A 63 10.911 -17.948 7.510 1.00 0.00 C ATOM 949 CD PRO A 63 9.512 -18.498 7.526 1.00 0.00 C ATOM 0 HA PRO A 63 8.923 -15.297 7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.617 -15.951 7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.735 -16.168 8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.423 -18.211 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.501 -18.359 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.423 -19.387 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.204 -18.783 8.532 1.00 0.00 H new ATOM 957 N GLU A 64 9.824 -16.708 4.591 1.00 0.00 N ATOM 958 CA GLU A 64 10.085 -16.445 3.181 1.00 0.00 C ATOM 959 C GLU A 64 8.887 -15.767 2.523 1.00 0.00 C ATOM 960 O GLU A 64 9.041 -14.824 1.746 1.00 0.00 O ATOM 961 CB GLU A 64 10.414 -17.747 2.448 1.00 0.00 C ATOM 962 CG GLU A 64 9.329 -18.805 2.570 1.00 0.00 C ATOM 963 CD GLU A 64 9.668 -20.077 1.819 1.00 0.00 C ATOM 964 OE1 GLU A 64 9.670 -20.046 0.570 1.00 0.00 O ATOM 965 OE2 GLU A 64 9.931 -21.104 2.478 1.00 0.00 O ATOM 0 H GLU A 64 9.714 -17.695 4.823 1.00 0.00 H new ATOM 0 HA GLU A 64 10.941 -15.774 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.580 -17.528 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.348 -18.149 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.173 -19.040 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.390 -18.403 2.190 1.00 0.00 H new ATOM 972 N LYS A 65 7.692 -16.254 2.838 1.00 0.00 N ATOM 973 CA LYS A 65 6.466 -15.697 2.280 1.00 0.00 C ATOM 974 C LYS A 65 6.260 -14.259 2.746 1.00 0.00 C ATOM 975 O LYS A 65 5.924 -13.379 1.952 1.00 0.00 O ATOM 976 CB LYS A 65 5.262 -16.552 2.683 1.00 0.00 C ATOM 977 CG LYS A 65 4.140 -16.544 1.659 1.00 0.00 C ATOM 978 CD LYS A 65 2.782 -16.711 2.320 1.00 0.00 C ATOM 979 CE LYS A 65 1.655 -16.275 1.395 1.00 0.00 C ATOM 980 NZ LYS A 65 1.195 -17.388 0.520 1.00 0.00 N ATOM 0 H LYS A 65 7.546 -17.035 3.478 1.00 0.00 H new ATOM 0 HA LYS A 65 6.558 -15.699 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.592 -17.579 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.875 -16.193 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.162 -15.608 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.297 -17.348 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.639 -17.754 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.748 -16.124 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.817 -15.910 1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.993 -15.443 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.427 -17.051 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.988 -17.719 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.848 -18.172 1.109 1.00 0.00 H new ATOM 994 N THR A 66 6.465 -14.025 4.038 1.00 0.00 N ATOM 995 CA THR A 66 6.303 -12.695 4.610 1.00 0.00 C ATOM 996 C THR A 66 7.231 -11.690 3.937 1.00 0.00 C ATOM 997 O THR A 66 6.835 -10.562 3.645 1.00 0.00 O ATOM 998 CB THR A 66 6.578 -12.697 6.125 1.00 0.00 C ATOM 999 OG1 THR A 66 5.893 -13.790 6.747 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.132 -11.387 6.758 1.00 0.00 C ATOM 0 H THR A 66 6.744 -14.741 4.709 1.00 0.00 H new ATOM 0 HA THR A 66 5.268 -12.401 4.437 1.00 0.00 H new ATOM 0 HB THR A 66 7.652 -12.809 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.389 -14.620 6.588 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.336 -11.412 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.677 -10.559 6.304 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.063 -11.250 6.596 1.00 0.00 H new ATOM 1008 N LYS A 67 8.469 -12.107 3.694 1.00 0.00 N ATOM 1009 CA LYS A 67 9.455 -11.245 3.053 1.00 0.00 C ATOM 1010 C LYS A 67 8.919 -10.688 1.738 1.00 0.00 C ATOM 1011 O LYS A 67 8.917 -9.477 1.521 1.00 0.00 O ATOM 1012 CB LYS A 67 10.752 -12.018 2.801 1.00 0.00 C ATOM 1013 CG LYS A 67 11.635 -12.142 4.030 1.00 0.00 C ATOM 1014 CD LYS A 67 13.002 -12.706 3.679 1.00 0.00 C ATOM 1015 CE LYS A 67 12.977 -14.226 3.611 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.319 -14.815 3.873 1.00 0.00 N ATOM 0 H LYS A 67 8.813 -13.037 3.931 1.00 0.00 H new ATOM 0 HA LYS A 67 9.661 -10.410 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.506 -13.016 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.313 -11.521 2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.753 -11.163 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.151 -12.787 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.328 -12.303 2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.731 -12.386 4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.263 -14.610 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.628 -14.540 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.260 -15.852 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.995 -14.468 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.641 -14.537 4.822 1.00 0.00 H new ATOM 1030 N ALA A 68 8.463 -11.580 0.865 1.00 0.00 N ATOM 1031 CA ALA A 68 7.920 -11.177 -0.426 1.00 0.00 C ATOM 1032 C ALA A 68 6.903 -10.052 -0.267 1.00 0.00 C ATOM 1033 O ALA A 68 6.993 -9.021 -0.935 1.00 0.00 O ATOM 1034 CB ALA A 68 7.287 -12.369 -1.128 1.00 0.00 C ATOM 0 H ALA A 68 8.459 -12.587 1.029 1.00 0.00 H new ATOM 0 HA ALA A 68 8.742 -10.804 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.886 -12.053 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.040 -13.141 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.481 -12.768 -0.512 1.00 0.00 H new ATOM 1040 N VAL A 69 5.935 -10.257 0.620 1.00 0.00 N ATOM 1041 CA VAL A 69 4.901 -9.259 0.867 1.00 0.00 C ATOM 1042 C VAL A 69 5.513 -7.898 1.177 1.00 0.00 C ATOM 1043 O VAL A 69 5.098 -6.880 0.623 1.00 0.00 O ATOM 1044 CB VAL A 69 3.986 -9.676 2.034 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.887 -8.646 2.245 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.394 -11.054 1.780 1.00 0.00 C ATOM 0 H VAL A 69 5.845 -11.105 1.180 1.00 0.00 H new ATOM 0 HA VAL A 69 4.306 -9.187 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 69 4.585 -9.725 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.251 -8.957 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.334 -7.679 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.288 -8.563 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.750 -11.333 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.809 -11.035 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.198 -11.783 1.683 1.00 0.00 H new ATOM 1056 N GLU A 70 6.502 -7.888 2.065 1.00 0.00 N ATOM 1057 CA GLU A 70 7.171 -6.650 2.448 1.00 0.00 C ATOM 1058 C GLU A 70 7.591 -5.855 1.216 1.00 0.00 C ATOM 1059 O GLU A 70 7.531 -4.626 1.207 1.00 0.00 O ATOM 1060 CB GLU A 70 8.395 -6.954 3.315 1.00 0.00 C ATOM 1061 CG GLU A 70 8.061 -7.674 4.610 1.00 0.00 C ATOM 1062 CD GLU A 70 7.537 -6.737 5.681 1.00 0.00 C ATOM 1063 OE1 GLU A 70 6.379 -6.286 5.561 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.287 -6.454 6.639 1.00 0.00 O ATOM 0 H GLU A 70 6.857 -8.722 2.532 1.00 0.00 H new ATOM 0 HA GLU A 70 6.467 -6.049 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.094 -7.562 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.904 -6.019 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.316 -8.445 4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.953 -8.180 4.980 1.00 0.00 H new ATOM 1071 N ASN A 71 8.018 -6.565 0.177 1.00 0.00 N ATOM 1072 CA ASN A 71 8.449 -5.926 -1.061 1.00 0.00 C ATOM 1073 C ASN A 71 7.249 -5.490 -1.895 1.00 0.00 C ATOM 1074 O ASN A 71 7.298 -4.472 -2.586 1.00 0.00 O ATOM 1075 CB ASN A 71 9.328 -6.880 -1.872 1.00 0.00 C ATOM 1076 CG ASN A 71 9.768 -6.279 -3.193 1.00 0.00 C ATOM 1077 OD1 ASN A 71 10.013 -5.076 -3.289 1.00 0.00 O ATOM 1078 ND2 ASN A 71 9.871 -7.116 -4.219 1.00 0.00 N ATOM 0 H ASN A 71 8.075 -7.583 0.168 1.00 0.00 H new ATOM 0 HA ASN A 71 9.029 -5.040 -0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.208 -7.146 -1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.780 -7.803 -2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.163 -6.769 -5.133 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.658 -8.106 -4.093 1.00 0.00 H new ATOM 1085 N TYR A 72 6.173 -6.265 -1.824 1.00 0.00 N ATOM 1086 CA TYR A 72 4.960 -5.960 -2.574 1.00 0.00 C ATOM 1087 C TYR A 72 4.333 -4.657 -2.088 1.00 0.00 C ATOM 1088 O TYR A 72 3.975 -3.790 -2.886 1.00 0.00 O ATOM 1089 CB TYR A 72 3.953 -7.104 -2.443 1.00 0.00 C ATOM 1090 CG TYR A 72 2.598 -6.788 -3.033 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.458 -6.487 -4.382 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.456 -6.790 -2.241 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.221 -6.197 -4.925 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.215 -6.503 -2.775 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.103 -6.206 -4.118 1.00 0.00 C ATOM 1096 OH TYR A 72 -1.131 -5.919 -4.655 1.00 0.00 O ATOM 0 H TYR A 72 6.116 -7.109 -1.255 1.00 0.00 H new ATOM 0 HA TYR A 72 5.231 -5.843 -3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.356 -7.990 -2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.832 -7.351 -1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.331 -6.480 -5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.540 -7.020 -1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.130 -5.965 -5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.662 -6.511 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.354 -4.981 -4.479 1.00 0.00 H new ATOM 1106 N LEU A 73 4.202 -4.526 -0.772 1.00 0.00 N ATOM 1107 CA LEU A 73 3.618 -3.329 -0.177 1.00 0.00 C ATOM 1108 C LEU A 73 4.387 -2.081 -0.598 1.00 0.00 C ATOM 1109 O LEU A 73 3.801 -1.115 -1.087 1.00 0.00 O ATOM 1110 CB LEU A 73 3.610 -3.446 1.348 1.00 0.00 C ATOM 1111 CG LEU A 73 2.525 -4.342 1.947 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.822 -4.636 3.409 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.157 -3.693 1.799 1.00 0.00 C ATOM 0 H LEU A 73 4.492 -5.234 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 73 2.592 -3.239 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.582 -3.822 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.501 -2.446 1.768 1.00 0.00 H new ATOM 0 HG LEU A 73 2.519 -5.286 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.039 -5.275 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.783 -5.143 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.857 -3.701 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.397 -4.344 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.151 -2.735 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.942 -3.535 0.742 1.00 0.00 H new ATOM 1125 N ILE A 74 5.702 -2.110 -0.408 1.00 0.00 N ATOM 1126 CA ILE A 74 6.551 -0.982 -0.772 1.00 0.00 C ATOM 1127 C ILE A 74 6.151 -0.408 -2.127 1.00 0.00 C ATOM 1128 O ILE A 74 5.723 0.741 -2.223 1.00 0.00 O ATOM 1129 CB ILE A 74 8.036 -1.386 -0.816 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.540 -1.714 0.592 1.00 0.00 C ATOM 1131 CG2 ILE A 74 8.869 -0.276 -1.437 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.707 -2.675 0.607 1.00 0.00 C ATOM 0 H ILE A 74 6.202 -2.902 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 74 6.413 -0.222 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 74 8.136 -2.278 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.835 -0.789 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.721 -2.140 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.916 -0.577 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.523 -0.086 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.766 0.632 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.011 -2.862 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.411 -3.614 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.541 -2.243 0.055 1.00 0.00 H new ATOM 1144 N GLN A 75 6.294 -1.218 -3.172 1.00 0.00 N ATOM 1145 CA GLN A 75 5.947 -0.790 -4.522 1.00 0.00 C ATOM 1146 C GLN A 75 4.634 -0.013 -4.526 1.00 0.00 C ATOM 1147 O GLN A 75 4.566 1.105 -5.035 1.00 0.00 O ATOM 1148 CB GLN A 75 5.840 -2.000 -5.451 1.00 0.00 C ATOM 1149 CG GLN A 75 7.082 -2.876 -5.455 1.00 0.00 C ATOM 1150 CD GLN A 75 7.147 -3.793 -6.660 1.00 0.00 C ATOM 1151 OE1 GLN A 75 6.119 -4.241 -7.170 1.00 0.00 O ATOM 1152 NE2 GLN A 75 8.358 -4.077 -7.124 1.00 0.00 N ATOM 0 H GLN A 75 6.647 -2.173 -3.109 1.00 0.00 H new ATOM 0 HA GLN A 75 6.738 -0.133 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.982 -2.602 -5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.648 -1.652 -6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.969 -2.242 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.101 -3.476 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.183 -3.684 -6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.463 -4.688 -7.934 1.00 0.00 H new ATOM 1161 N MET A 76 3.595 -0.614 -3.956 1.00 0.00 N ATOM 1162 CA MET A 76 2.284 0.023 -3.894 1.00 0.00 C ATOM 1163 C MET A 76 2.369 1.374 -3.192 1.00 0.00 C ATOM 1164 O MET A 76 1.730 2.341 -3.607 1.00 0.00 O ATOM 1165 CB MET A 76 1.288 -0.882 -3.166 1.00 0.00 C ATOM 1166 CG MET A 76 1.034 -2.202 -3.876 1.00 0.00 C ATOM 1167 SD MET A 76 -0.559 -2.928 -3.444 1.00 0.00 S ATOM 1168 CE MET A 76 -0.468 -2.901 -1.655 1.00 0.00 C ATOM 0 H MET A 76 3.635 -1.540 -3.531 1.00 0.00 H new ATOM 0 HA MET A 76 1.937 0.185 -4.915 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.661 -1.085 -2.162 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.342 -0.351 -3.054 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.077 -2.044 -4.954 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.829 -2.904 -3.625 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.475 -2.938 -1.239 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.101 -3.763 -1.307 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.025 -1.985 -1.330 1.00 0.00 H new ATOM 1178 N ALA A 77 3.161 1.434 -2.127 1.00 0.00 N ATOM 1179 CA ALA A 77 3.330 2.667 -1.369 1.00 0.00 C ATOM 1180 C ALA A 77 4.023 3.736 -2.207 1.00 0.00 C ATOM 1181 O ALA A 77 3.461 4.803 -2.458 1.00 0.00 O ATOM 1182 CB ALA A 77 4.119 2.400 -0.095 1.00 0.00 C ATOM 0 H ALA A 77 3.696 0.643 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 77 2.341 3.037 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.238 3.330 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.584 1.676 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.101 2.003 -0.352 1.00 0.00 H new ATOM 1188 N ARG A 78 5.246 3.444 -2.638 1.00 0.00 N ATOM 1189 CA ARG A 78 6.016 4.382 -3.447 1.00 0.00 C ATOM 1190 C ARG A 78 5.164 4.949 -4.579 1.00 0.00 C ATOM 1191 O ARG A 78 5.091 6.164 -4.765 1.00 0.00 O ATOM 1192 CB ARG A 78 7.255 3.694 -4.022 1.00 0.00 C ATOM 1193 CG ARG A 78 8.152 3.072 -2.965 1.00 0.00 C ATOM 1194 CD ARG A 78 9.397 2.455 -3.583 1.00 0.00 C ATOM 1195 NE ARG A 78 10.318 3.470 -4.087 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.215 3.240 -5.040 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.311 2.037 -5.589 1.00 0.00 N ATOM 1198 NH2 ARG A 78 12.019 4.215 -5.445 1.00 0.00 N ATOM 0 H ARG A 78 5.725 2.565 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 78 6.331 5.205 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.939 2.919 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.832 4.421 -4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.443 3.832 -2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.598 2.308 -2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.905 1.842 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.107 1.792 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 78 10.270 4.407 -3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.695 1.285 -5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.001 1.864 -6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.949 5.142 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.707 4.038 -6.177 1.00 0.00 H new ATOM 1212 N TYR A 79 4.523 4.063 -5.331 1.00 0.00 N ATOM 1213 CA TYR A 79 3.679 4.475 -6.447 1.00 0.00 C ATOM 1214 C TYR A 79 2.537 5.366 -5.966 1.00 0.00 C ATOM 1215 O TYR A 79 2.458 6.540 -6.324 1.00 0.00 O ATOM 1216 CB TYR A 79 3.116 3.249 -7.168 1.00 0.00 C ATOM 1217 CG TYR A 79 4.075 2.639 -8.165 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.314 2.157 -7.761 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.741 2.544 -9.510 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.193 1.599 -8.669 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.614 1.987 -10.425 1.00 0.00 C ATOM 1222 CZ TYR A 79 5.839 1.516 -9.999 1.00 0.00 C ATOM 1223 OH TYR A 79 6.712 0.960 -10.906 1.00 0.00 O ATOM 0 H TYR A 79 4.571 3.054 -5.189 1.00 0.00 H new ATOM 0 HA TYR A 79 4.293 5.046 -7.143 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.846 2.495 -6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.199 3.531 -7.685 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.594 2.220 -6.720 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.783 2.912 -9.846 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.153 1.230 -8.339 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.339 1.921 -11.467 1.00 0.00 H new ATOM 0 HH TYR A 79 6.310 0.977 -11.800 1.00 0.00 H new ATOM 1233 N GLY A 80 1.654 4.796 -5.151 1.00 0.00 N ATOM 1234 CA GLY A 80 0.528 5.552 -4.634 1.00 0.00 C ATOM 1235 C GLY A 80 -0.788 4.818 -4.800 1.00 0.00 C ATOM 1236 O GLY A 80 -1.781 5.403 -5.232 1.00 0.00 O ATOM 0 H GLY A 80 1.698 3.826 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.691 5.764 -3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.472 6.512 -5.147 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.795 3.534 -4.457 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.999 2.719 -4.574 1.00 0.00 C ATOM 1242 C GLN A 81 -2.721 2.621 -3.234 1.00 0.00 C ATOM 1243 O GLN A 81 -3.921 2.882 -3.143 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.646 1.320 -5.081 1.00 0.00 C ATOM 1245 CG GLN A 81 -1.001 1.316 -6.457 1.00 0.00 C ATOM 1246 CD GLN A 81 -1.134 -0.020 -7.160 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -2.233 -0.433 -7.531 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -0.012 -0.705 -7.348 1.00 0.00 N ATOM 0 H GLN A 81 0.019 3.036 -4.096 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.665 3.199 -5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.969 0.845 -4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.552 0.715 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.458 2.092 -7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.055 1.567 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.878 -0.325 -7.024 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.040 -1.611 -7.816 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.982 2.243 -2.196 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.552 2.109 -0.860 1.00 0.00 C ATOM 1259 C LEU A 82 -3.274 3.387 -0.446 1.00 0.00 C ATOM 1260 O LEU A 82 -2.668 4.302 0.112 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.454 1.779 0.153 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.683 0.482 -0.093 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.633 0.491 0.671 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.524 -0.723 0.304 1.00 0.00 C ATOM 0 H LEU A 82 -0.987 2.024 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.276 1.295 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.742 2.604 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.905 1.728 1.144 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.462 0.410 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.169 -0.440 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.241 1.332 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.433 0.587 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.959 -1.637 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.777 -0.657 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.439 -0.739 -0.287 1.00 0.00 H new ATOM 1276 N SER A 83 -4.574 3.442 -0.721 1.00 0.00 N ATOM 1277 CA SER A 83 -5.379 4.609 -0.378 1.00 0.00 C ATOM 1278 C SER A 83 -5.145 5.023 1.072 1.00 0.00 C ATOM 1279 O SER A 83 -4.983 6.205 1.372 1.00 0.00 O ATOM 1280 CB SER A 83 -6.863 4.314 -0.603 1.00 0.00 C ATOM 1281 OG SER A 83 -7.275 3.176 0.134 1.00 0.00 O ATOM 0 H SER A 83 -5.092 2.693 -1.180 1.00 0.00 H new ATOM 0 HA SER A 83 -5.077 5.432 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.458 5.178 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.047 4.150 -1.665 1.00 0.00 H new ATOM 0 HG SER A 83 -8.228 3.010 -0.026 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.130 4.040 1.967 1.00 0.00 N ATOM 1288 CA GLU A 84 -4.917 4.302 3.385 1.00 0.00 C ATOM 1289 C GLU A 84 -4.288 3.094 4.074 1.00 0.00 C ATOM 1290 O GLU A 84 -4.194 2.013 3.492 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.241 4.658 4.065 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.304 3.581 3.929 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.708 4.116 4.136 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.035 4.500 5.278 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -9.479 4.151 3.154 1.00 0.00 O ATOM 0 H GLU A 84 -5.263 3.056 1.735 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.233 5.146 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.058 4.844 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.620 5.587 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.234 3.130 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.110 2.791 4.654 1.00 0.00 H new ATOM 1302 N LYS A 85 -3.859 3.286 5.316 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.239 2.215 6.086 1.00 0.00 C ATOM 1304 C LYS A 85 -3.947 0.887 5.838 1.00 0.00 C ATOM 1305 O LYS A 85 -5.176 0.827 5.790 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.267 2.549 7.579 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.241 3.591 7.988 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.271 3.846 9.486 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.092 4.698 9.931 1.00 0.00 C ATOM 1310 NZ LYS A 85 0.089 3.866 10.291 1.00 0.00 N ATOM 0 H LYS A 85 -3.929 4.175 5.812 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.203 2.121 5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.262 2.907 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.094 1.637 8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.246 3.257 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.435 4.522 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.203 4.345 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.255 2.895 10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.820 5.388 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.385 5.303 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.749 4.429 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.223 3.037 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.568 3.549 9.424 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.165 -0.177 5.684 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.718 -1.504 5.444 1.00 0.00 C ATOM 1326 C VAL A 86 -4.196 -2.143 6.742 1.00 0.00 C ATOM 1327 O VAL A 86 -3.442 -2.246 7.710 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.683 -2.432 4.779 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.266 -3.821 4.572 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.210 -1.841 3.459 1.00 0.00 C ATOM 0 H VAL A 86 -2.146 -0.145 5.721 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.566 -1.376 4.771 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.822 -2.521 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.521 -4.462 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.551 -4.243 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.145 -3.755 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.479 -2.509 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.061 -1.721 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.750 -0.869 3.639 1.00 0.00 H new ATOM 1340 N SER A 87 -5.454 -2.572 6.756 1.00 0.00 N ATOM 1341 CA SER A 87 -6.035 -3.199 7.938 1.00 0.00 C ATOM 1342 C SER A 87 -5.836 -4.711 7.904 1.00 0.00 C ATOM 1343 O SER A 87 -5.698 -5.306 6.836 1.00 0.00 O ATOM 1344 CB SER A 87 -7.526 -2.872 8.034 1.00 0.00 C ATOM 1345 OG SER A 87 -8.022 -3.128 9.336 1.00 0.00 O ATOM 0 H SER A 87 -6.090 -2.497 5.962 1.00 0.00 H new ATOM 0 HA SER A 87 -5.526 -2.802 8.816 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.689 -1.825 7.779 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.079 -3.467 7.307 1.00 0.00 H new ATOM 0 HG SER A 87 -8.977 -2.909 9.371 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.821 -5.326 9.083 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.638 -6.769 9.189 1.00 0.00 C ATOM 1353 C GLU A 88 -6.301 -7.489 8.018 1.00 0.00 C ATOM 1354 O GLU A 88 -5.671 -8.295 7.334 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.213 -7.283 10.510 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.825 -8.718 10.825 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.870 -9.435 11.659 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.050 -9.057 12.835 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -7.506 -10.373 11.135 1.00 0.00 O ATOM 0 H GLU A 88 -5.933 -4.848 9.977 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.568 -6.977 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.873 -6.637 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.300 -7.208 10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.673 -9.262 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.874 -8.725 11.357 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.578 -7.193 7.796 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.327 -7.812 6.709 1.00 0.00 C ATOM 1368 C GLN A 89 -7.551 -7.735 5.399 1.00 0.00 C ATOM 1369 O GLN A 89 -7.300 -8.752 4.754 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.689 -7.134 6.549 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.711 -7.987 5.815 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.842 -7.167 5.226 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.195 -6.110 5.750 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.416 -7.650 4.131 1.00 0.00 N ATOM 0 H GLN A 89 -8.115 -6.529 8.354 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.478 -8.862 6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.079 -6.883 7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.557 -6.196 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.213 -8.537 5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.123 -8.726 6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.091 -8.530 3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.182 -7.141 3.690 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.173 -6.521 5.011 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.429 -6.334 3.779 1.00 0.00 C ATOM 1385 C GLY A 90 -5.164 -7.168 3.733 1.00 0.00 C ATOM 1386 O GLY A 90 -4.937 -7.914 2.780 1.00 0.00 O ATOM 0 H GLY A 90 -7.369 -5.664 5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.063 -6.595 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.170 -5.281 3.671 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.336 -7.040 4.764 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.085 -7.787 4.838 1.00 0.00 C ATOM 1392 C LEU A 91 -3.315 -9.265 4.543 1.00 0.00 C ATOM 1393 O LEU A 91 -2.831 -9.791 3.539 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.451 -7.624 6.221 1.00 0.00 C ATOM 1395 CG LEU A 91 -0.999 -8.084 6.352 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.046 -6.939 6.049 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.740 -8.642 7.744 1.00 0.00 C ATOM 0 H LEU A 91 -4.508 -6.426 5.560 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.407 -7.386 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.505 -6.572 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.053 -8.177 6.942 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.823 -8.877 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.983 -7.286 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.214 -6.585 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.222 -6.123 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.298 -8.965 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.935 -7.869 8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.398 -9.492 7.923 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.057 -9.930 5.421 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.354 -11.347 5.253 1.00 0.00 C ATOM 1411 C ILE A 92 -4.498 -11.707 3.778 1.00 0.00 C ATOM 1412 O ILE A 92 -3.851 -12.633 3.290 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.645 -11.744 5.994 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.448 -11.620 7.507 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.054 -13.161 5.623 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.738 -11.710 8.293 1.00 0.00 C ATOM 0 H ILE A 92 -4.464 -9.510 6.257 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.516 -11.898 5.680 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.443 -11.066 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.772 -12.406 7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.964 -10.668 7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.968 -13.427 6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.229 -13.220 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.259 -13.853 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.523 -11.614 9.357 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.409 -10.908 7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.213 -12.673 8.104 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.348 -10.967 3.074 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.575 -11.208 1.653 1.00 0.00 C ATOM 1430 C GLU A 93 -4.297 -10.980 0.852 1.00 0.00 C ATOM 1431 O GLU A 93 -3.882 -11.834 0.068 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.688 -10.297 1.130 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.086 -10.823 1.408 1.00 0.00 C ATOM 1434 CD GLU A 93 -8.586 -11.753 0.321 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -8.919 -11.259 -0.777 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -8.645 -12.976 0.567 1.00 0.00 O ATOM 0 H GLU A 93 -5.891 -10.196 3.463 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.879 -12.248 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.583 -9.312 1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.565 -10.167 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.089 -11.351 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.773 -9.983 1.507 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.677 -9.822 1.054 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.447 -9.481 0.351 1.00 0.00 C ATOM 1445 C ILE A 94 -1.476 -10.657 0.340 1.00 0.00 C ATOM 1446 O ILE A 94 -0.899 -10.991 -0.696 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.752 -8.263 0.989 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.592 -7.002 0.778 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.359 -8.083 0.406 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -2.042 -5.784 1.487 1.00 0.00 C ATOM 0 H ILE A 94 -4.007 -9.104 1.699 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.728 -9.234 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.656 -8.437 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.656 -6.793 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.607 -7.189 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.119 -7.219 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.236 -8.975 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.432 -7.926 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.688 -4.928 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.003 -5.974 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.038 -5.572 1.120 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.302 -11.284 1.498 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.403 -12.426 1.623 1.00 0.00 C ATOM 1464 C LEU A 95 -0.718 -13.484 0.571 1.00 0.00 C ATOM 1465 O LEU A 95 0.180 -14.156 0.061 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.509 -13.034 3.022 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.116 -12.120 4.183 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.610 -12.691 5.503 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.393 -11.921 4.217 1.00 0.00 C ATOM 0 H LEU A 95 -1.772 -11.021 2.364 1.00 0.00 H new ATOM 0 HA LEU A 95 0.616 -12.074 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.537 -13.363 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.119 -13.924 3.058 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.588 -11.149 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.321 -12.027 6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.696 -12.782 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.168 -13.674 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.655 -11.268 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.884 -12.886 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.721 -11.467 3.282 1.00 0.00 H new ATOM 1481 N LYS A 96 -1.999 -13.628 0.248 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.434 -14.602 -0.746 1.00 0.00 C ATOM 1483 C LYS A 96 -2.532 -13.962 -2.128 1.00 0.00 C ATOM 1484 O LYS A 96 -3.243 -14.457 -3.003 1.00 0.00 O ATOM 1485 CB LYS A 96 -3.787 -15.196 -0.350 1.00 0.00 C ATOM 1486 CG LYS A 96 -3.740 -16.016 0.928 1.00 0.00 C ATOM 1487 CD LYS A 96 -4.012 -15.157 2.152 1.00 0.00 C ATOM 1488 CE LYS A 96 -4.679 -15.959 3.259 1.00 0.00 C ATOM 1489 NZ LYS A 96 -3.744 -16.944 3.870 1.00 0.00 N ATOM 0 H LYS A 96 -2.755 -13.082 0.661 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.692 -15.400 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.507 -14.387 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.150 -15.825 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.476 -16.818 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.762 -16.487 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.075 -14.738 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.650 -14.318 1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.046 -15.280 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.546 -16.483 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.236 -17.471 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.413 -17.608 3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.929 -16.443 4.277 1.00 0.00 H new ATOM 1503 N LYS A 97 -1.815 -12.860 -2.317 1.00 0.00 N ATOM 1504 CA LYS A 97 -1.819 -12.154 -3.593 1.00 0.00 C ATOM 1505 C LYS A 97 -0.424 -12.139 -4.211 1.00 0.00 C ATOM 1506 O LYS A 97 -0.248 -12.487 -5.378 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.320 -10.720 -3.404 1.00 0.00 C ATOM 1508 CG LYS A 97 -3.723 -10.637 -2.828 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.448 -9.390 -3.305 1.00 0.00 C ATOM 1510 CE LYS A 97 -4.157 -8.198 -2.408 1.00 0.00 C ATOM 1511 NZ LYS A 97 -4.709 -6.933 -2.968 1.00 0.00 N ATOM 0 H LYS A 97 -1.223 -12.436 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.491 -12.681 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.634 -10.188 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.300 -10.207 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.289 -11.522 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.671 -10.635 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.145 -9.160 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.522 -9.578 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.583 -8.374 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.080 -8.097 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.489 -6.144 -2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.283 -6.751 -3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.740 -7.019 -3.070 1.00 0.00 H new ATOM 1525 N VAL A 98 0.565 -11.735 -3.420 1.00 0.00 N ATOM 1526 CA VAL A 98 1.944 -11.677 -3.888 1.00 0.00 C ATOM 1527 C VAL A 98 2.443 -13.058 -4.299 1.00 0.00 C ATOM 1528 O VAL A 98 3.248 -13.190 -5.221 1.00 0.00 O ATOM 1529 CB VAL A 98 2.881 -11.105 -2.808 1.00 0.00 C ATOM 1530 CG1 VAL A 98 2.784 -11.923 -1.529 1.00 0.00 C ATOM 1531 CG2 VAL A 98 4.314 -11.061 -3.315 1.00 0.00 C ATOM 0 H VAL A 98 0.436 -11.443 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 98 1.956 -11.016 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 98 2.568 -10.085 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.453 -11.504 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.760 -11.897 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.070 -12.955 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.962 -10.654 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.641 -12.069 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.367 -10.428 -4.201 1.00 0.00 H new