USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=9 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 -169:sc= -0.0177 (180deg=-0.29) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.27! K(o=-2.3!,f=-1.1) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.12) 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= -0.184 K(o=-0.18,f=-1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 93:sc= 1.04 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0659 K(o=-0.066,f=-1.1) USER MOD Single : A 72 TYR OH : rot -82:sc= 1.02 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 180:sc= -1.59 (180deg=-1.59) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.46) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.12 K(o=-2.1,f=-8.7!) 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 16.144 0.460 6.739 1.00 0.00 N ATOM 525 CA GLU A 37 15.651 1.496 7.639 1.00 0.00 C ATOM 526 C GLU A 37 14.472 2.239 7.018 1.00 0.00 C ATOM 527 O GLU A 37 13.461 2.481 7.677 1.00 0.00 O ATOM 528 CB GLU A 37 16.770 2.483 7.978 1.00 0.00 C ATOM 529 CG GLU A 37 17.649 2.033 9.133 1.00 0.00 C ATOM 530 CD GLU A 37 18.518 3.152 9.674 1.00 0.00 C ATOM 531 OE1 GLU A 37 18.049 4.309 9.700 1.00 0.00 O ATOM 532 OE2 GLU A 37 19.667 2.869 10.072 1.00 0.00 O ATOM 0 HA GLU A 37 15.312 1.014 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.392 2.631 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.329 3.449 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.020 1.647 9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.285 1.212 8.803 1.00 0.00 H new ATOM 539 N MET A 38 14.610 2.600 5.747 1.00 0.00 N ATOM 540 CA MET A 38 13.557 3.315 5.037 1.00 0.00 C ATOM 541 C MET A 38 12.388 2.388 4.718 1.00 0.00 C ATOM 542 O MET A 38 11.226 2.761 4.878 1.00 0.00 O ATOM 543 CB MET A 38 14.106 3.925 3.745 1.00 0.00 C ATOM 544 CG MET A 38 14.632 2.892 2.762 1.00 0.00 C ATOM 545 SD MET A 38 15.674 3.619 1.482 1.00 0.00 S ATOM 546 CE MET A 38 14.565 4.850 0.801 1.00 0.00 C ATOM 0 H MET A 38 15.441 2.409 5.187 1.00 0.00 H new ATOM 0 HA MET A 38 13.197 4.115 5.684 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.319 4.505 3.263 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.908 4.620 3.993 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.202 2.137 3.304 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.791 2.381 2.294 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.987 5.249 -0.122 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.599 4.392 0.590 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.434 5.659 1.520 1.00 0.00 H new ATOM 556 N ARG A 39 12.705 1.178 4.268 1.00 0.00 N ATOM 557 CA ARG A 39 11.681 0.198 3.926 1.00 0.00 C ATOM 558 C ARG A 39 10.776 -0.082 5.122 1.00 0.00 C ATOM 559 O ARG A 39 9.554 -0.142 4.988 1.00 0.00 O ATOM 560 CB ARG A 39 12.329 -1.102 3.447 1.00 0.00 C ATOM 561 CG ARG A 39 12.652 -1.111 1.962 1.00 0.00 C ATOM 562 CD ARG A 39 13.519 -2.303 1.588 1.00 0.00 C ATOM 563 NE ARG A 39 13.298 -2.729 0.208 1.00 0.00 N ATOM 564 CZ ARG A 39 13.935 -3.748 -0.357 1.00 0.00 C ATOM 565 NH1 ARG A 39 14.827 -4.443 0.335 1.00 0.00 N ATOM 566 NH2 ARG A 39 13.679 -4.075 -1.617 1.00 0.00 N ATOM 0 H ARG A 39 13.662 0.853 4.132 1.00 0.00 H new ATOM 0 HA ARG A 39 11.073 0.610 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.247 -1.270 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.661 -1.934 3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.726 -1.138 1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.166 -0.188 1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.569 -2.044 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.305 -3.132 2.262 1.00 0.00 H new ATOM 0 HE ARG A 39 12.617 -2.216 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.026 -4.196 1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.315 -5.225 -0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.993 -3.544 -2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.169 -4.858 -2.050 1.00 0.00 H new ATOM 580 N ASN A 40 11.385 -0.254 6.291 1.00 0.00 N ATOM 581 CA ASN A 40 10.634 -0.529 7.511 1.00 0.00 C ATOM 582 C ASN A 40 9.631 0.585 7.795 1.00 0.00 C ATOM 583 O ASN A 40 8.446 0.328 8.007 1.00 0.00 O ATOM 584 CB ASN A 40 11.588 -0.687 8.697 1.00 0.00 C ATOM 585 CG ASN A 40 11.046 -1.631 9.752 1.00 0.00 C ATOM 586 OD1 ASN A 40 9.907 -1.494 10.198 1.00 0.00 O ATOM 587 ND2 ASN A 40 11.863 -2.596 10.158 1.00 0.00 N ATOM 0 H ASN A 40 12.396 -0.208 6.419 1.00 0.00 H new ATOM 0 HA ASN A 40 10.085 -1.460 7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.549 -1.058 8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.770 0.289 9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.554 -3.261 10.867 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.799 -2.672 9.761 1.00 0.00 H new ATOM 594 N SER A 41 10.114 1.823 7.797 1.00 0.00 N ATOM 595 CA SER A 41 9.261 2.977 8.058 1.00 0.00 C ATOM 596 C SER A 41 8.097 3.025 7.073 1.00 0.00 C ATOM 597 O SER A 41 6.961 3.313 7.452 1.00 0.00 O ATOM 598 CB SER A 41 10.074 4.269 7.968 1.00 0.00 C ATOM 599 OG SER A 41 10.977 4.380 9.055 1.00 0.00 O ATOM 0 H SER A 41 11.092 2.053 7.621 1.00 0.00 H new ATOM 0 HA SER A 41 8.858 2.880 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.626 4.290 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.401 5.126 7.961 1.00 0.00 H new ATOM 0 HG SER A 41 11.486 5.213 8.974 1.00 0.00 H new ATOM 605 N ILE A 42 8.388 2.742 5.808 1.00 0.00 N ATOM 606 CA ILE A 42 7.366 2.753 4.769 1.00 0.00 C ATOM 607 C ILE A 42 6.364 1.621 4.972 1.00 0.00 C ATOM 608 O ILE A 42 5.208 1.720 4.559 1.00 0.00 O ATOM 609 CB ILE A 42 7.989 2.626 3.366 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.953 3.785 3.105 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.900 2.587 2.304 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.025 3.463 2.088 1.00 0.00 C ATOM 0 H ILE A 42 9.323 2.502 5.478 1.00 0.00 H new ATOM 0 HA ILE A 42 6.850 3.710 4.844 1.00 0.00 H new ATOM 0 HB ILE A 42 8.550 1.693 3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.385 4.649 2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.428 4.070 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.356 2.497 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.249 1.731 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.314 3.505 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.671 4.330 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.619 2.619 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.559 3.207 1.137 1.00 0.00 H new ATOM 624 N LEU A 43 6.814 0.548 5.613 1.00 0.00 N ATOM 625 CA LEU A 43 5.956 -0.603 5.873 1.00 0.00 C ATOM 626 C LEU A 43 5.037 -0.339 7.062 1.00 0.00 C ATOM 627 O LEU A 43 3.866 -0.716 7.049 1.00 0.00 O ATOM 628 CB LEU A 43 6.805 -1.847 6.137 1.00 0.00 C ATOM 629 CG LEU A 43 7.322 -2.582 4.899 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.307 -3.670 5.297 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.164 -3.172 4.107 1.00 0.00 C ATOM 0 H LEU A 43 7.767 0.451 5.962 1.00 0.00 H new ATOM 0 HA LEU A 43 5.339 -0.772 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.661 -1.556 6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.215 -2.546 6.730 1.00 0.00 H new ATOM 0 HG LEU A 43 7.842 -1.864 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.664 -4.182 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.152 -3.222 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.812 -4.387 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.550 -3.691 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.616 -3.876 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.495 -2.372 3.790 1.00 0.00 H new ATOM 643 N ALA A 44 5.577 0.313 8.087 1.00 0.00 N ATOM 644 CA ALA A 44 4.805 0.631 9.281 1.00 0.00 C ATOM 645 C ALA A 44 3.719 1.658 8.976 1.00 0.00 C ATOM 646 O ALA A 44 2.599 1.557 9.476 1.00 0.00 O ATOM 647 CB ALA A 44 5.722 1.142 10.383 1.00 0.00 C ATOM 0 H ALA A 44 6.546 0.631 8.114 1.00 0.00 H new ATOM 0 HA ALA A 44 4.319 -0.283 9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.131 1.376 11.269 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.457 0.376 10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.235 2.041 10.042 1.00 0.00 H new ATOM 653 N GLN A 45 4.059 2.645 8.154 1.00 0.00 N ATOM 654 CA GLN A 45 3.113 3.691 7.784 1.00 0.00 C ATOM 655 C GLN A 45 1.968 3.120 6.954 1.00 0.00 C ATOM 656 O GLN A 45 0.835 3.596 7.030 1.00 0.00 O ATOM 657 CB GLN A 45 3.823 4.797 7.001 1.00 0.00 C ATOM 658 CG GLN A 45 4.097 4.436 5.550 1.00 0.00 C ATOM 659 CD GLN A 45 4.441 5.646 4.703 1.00 0.00 C ATOM 660 OE1 GLN A 45 3.935 6.744 4.934 1.00 0.00 O ATOM 661 NE2 GLN A 45 5.307 5.450 3.716 1.00 0.00 N ATOM 0 H GLN A 45 4.982 2.742 7.732 1.00 0.00 H new ATOM 0 HA GLN A 45 2.699 4.112 8.700 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.215 5.701 7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.767 5.030 7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.919 3.721 5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.221 3.941 5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.702 4.522 3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.578 6.227 3.113 1.00 0.00 H new ATOM 670 N VAL A 46 2.270 2.096 6.162 1.00 0.00 N ATOM 671 CA VAL A 46 1.266 1.460 5.318 1.00 0.00 C ATOM 672 C VAL A 46 0.580 0.312 6.051 1.00 0.00 C ATOM 673 O VAL A 46 -0.465 -0.177 5.621 1.00 0.00 O ATOM 674 CB VAL A 46 1.886 0.924 4.014 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.480 2.062 3.198 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.939 -0.130 4.320 1.00 0.00 C ATOM 0 H VAL A 46 3.202 1.689 6.087 1.00 0.00 H new ATOM 0 HA VAL A 46 0.528 2.224 5.073 1.00 0.00 H new ATOM 0 HB VAL A 46 1.099 0.457 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.913 1.664 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.697 2.778 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.256 2.560 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.367 -0.498 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.727 0.309 4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.479 -0.958 4.860 1.00 0.00 H new ATOM 686 N LEU A 47 1.174 -0.113 7.160 1.00 0.00 N ATOM 687 CA LEU A 47 0.620 -1.204 7.955 1.00 0.00 C ATOM 688 C LEU A 47 0.206 -0.714 9.338 1.00 0.00 C ATOM 689 O LEU A 47 1.015 -0.153 10.077 1.00 0.00 O ATOM 690 CB LEU A 47 1.642 -2.335 8.087 1.00 0.00 C ATOM 691 CG LEU A 47 1.895 -3.161 6.825 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.134 -4.027 6.994 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.683 -4.020 6.498 1.00 0.00 C ATOM 0 H LEU A 47 2.039 0.281 7.530 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.266 -1.580 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.590 -1.905 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.309 -3.008 8.877 1.00 0.00 H new ATOM 0 HG LEU A 47 2.065 -2.477 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.299 -4.608 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.000 -3.391 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.993 -4.703 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.881 -4.601 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.482 -4.696 7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.183 -3.379 6.333 1.00 0.00 H new ATOM 705 N ASP A 48 -1.059 -0.930 9.683 1.00 0.00 N ATOM 706 CA ASP A 48 -1.580 -0.514 10.979 1.00 0.00 C ATOM 707 C ASP A 48 -1.161 -1.490 12.073 1.00 0.00 C ATOM 708 O ASP A 48 -0.968 -2.678 11.816 1.00 0.00 O ATOM 709 CB ASP A 48 -3.105 -0.408 10.929 1.00 0.00 C ATOM 710 CG ASP A 48 -3.718 -0.222 12.304 1.00 0.00 C ATOM 711 OD1 ASP A 48 -3.517 0.856 12.902 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.399 -1.153 12.781 1.00 0.00 O ATOM 0 H ASP A 48 -1.742 -1.391 9.082 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.163 0.465 11.213 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.387 0.430 10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.514 -1.308 10.471 1.00 0.00 H new ATOM 717 N GLN A 49 -1.021 -0.981 13.293 1.00 0.00 N ATOM 718 CA GLN A 49 -0.622 -1.809 14.425 1.00 0.00 C ATOM 719 C GLN A 49 -1.196 -3.216 14.299 1.00 0.00 C ATOM 720 O GLN A 49 -0.496 -4.205 14.518 1.00 0.00 O ATOM 721 CB GLN A 49 -1.085 -1.173 15.737 1.00 0.00 C ATOM 722 CG GLN A 49 -0.561 -1.882 16.975 1.00 0.00 C ATOM 723 CD GLN A 49 -1.121 -1.304 18.260 1.00 0.00 C ATOM 724 OE1 GLN A 49 -1.203 -0.086 18.422 1.00 0.00 O ATOM 725 NE2 GLN A 49 -1.510 -2.177 19.181 1.00 0.00 N ATOM 0 H GLN A 49 -1.178 0.000 13.523 1.00 0.00 H new ATOM 0 HA GLN A 49 0.466 -1.878 14.427 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.762 -0.132 15.760 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.175 -1.169 15.765 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.814 -2.941 16.917 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.527 -1.815 16.995 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.424 -3.178 19.004 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.895 -1.847 20.066 1.00 0.00 H new ATOM 734 N SER A 50 -2.474 -3.299 13.944 1.00 0.00 N ATOM 735 CA SER A 50 -3.143 -4.586 13.792 1.00 0.00 C ATOM 736 C SER A 50 -2.460 -5.431 12.722 1.00 0.00 C ATOM 737 O SER A 50 -1.877 -6.474 13.016 1.00 0.00 O ATOM 738 CB SER A 50 -4.616 -4.380 13.433 1.00 0.00 C ATOM 739 OG SER A 50 -5.362 -5.567 13.636 1.00 0.00 O ATOM 0 H SER A 50 -3.067 -2.491 13.756 1.00 0.00 H new ATOM 0 HA SER A 50 -3.079 -5.115 14.743 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.033 -3.577 14.041 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.699 -4.068 12.392 1.00 0.00 H new ATOM 0 HG SER A 50 -6.300 -5.408 13.401 1.00 0.00 H new ATOM 745 N ALA A 51 -2.537 -4.972 11.477 1.00 0.00 N ATOM 746 CA ALA A 51 -1.925 -5.683 10.361 1.00 0.00 C ATOM 747 C ALA A 51 -0.479 -6.053 10.673 1.00 0.00 C ATOM 748 O ALA A 51 -0.109 -7.227 10.649 1.00 0.00 O ATOM 749 CB ALA A 51 -1.995 -4.841 9.096 1.00 0.00 C ATOM 0 H ALA A 51 -3.017 -4.111 11.216 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.483 -6.606 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.534 -5.385 8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.037 -4.632 8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.464 -3.902 9.254 1.00 0.00 H new ATOM 755 N ARG A 52 0.336 -5.044 10.965 1.00 0.00 N ATOM 756 CA ARG A 52 1.742 -5.264 11.280 1.00 0.00 C ATOM 757 C ARG A 52 1.931 -6.573 12.040 1.00 0.00 C ATOM 758 O ARG A 52 2.594 -7.491 11.560 1.00 0.00 O ATOM 759 CB ARG A 52 2.290 -4.098 12.105 1.00 0.00 C ATOM 760 CG ARG A 52 3.754 -3.793 11.831 1.00 0.00 C ATOM 761 CD ARG A 52 3.910 -2.758 10.728 1.00 0.00 C ATOM 762 NE ARG A 52 5.275 -2.711 10.211 1.00 0.00 N ATOM 763 CZ ARG A 52 5.793 -3.642 9.417 1.00 0.00 C ATOM 764 NH1 ARG A 52 5.062 -4.686 9.050 1.00 0.00 N ATOM 765 NH2 ARG A 52 7.043 -3.529 8.987 1.00 0.00 N ATOM 0 H ARG A 52 0.046 -4.066 10.990 1.00 0.00 H new ATOM 0 HA ARG A 52 2.293 -5.327 10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.697 -3.207 11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.167 -4.324 13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.228 -3.429 12.743 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.271 -4.710 11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.222 -2.989 9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.633 -1.776 11.111 1.00 0.00 H new ATOM 0 HE ARG A 52 5.863 -1.920 10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.100 -4.775 9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.462 -5.399 8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.608 -2.727 9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.439 -4.244 8.378 1.00 0.00 H new ATOM 779 N ALA A 53 1.344 -6.650 13.230 1.00 0.00 N ATOM 780 CA ALA A 53 1.446 -7.846 14.057 1.00 0.00 C ATOM 781 C ALA A 53 1.132 -9.100 13.248 1.00 0.00 C ATOM 782 O ALA A 53 1.955 -10.011 13.152 1.00 0.00 O ATOM 783 CB ALA A 53 0.515 -7.741 15.255 1.00 0.00 C ATOM 0 H ALA A 53 0.793 -5.898 13.643 1.00 0.00 H new ATOM 0 HA ALA A 53 2.472 -7.924 14.415 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.602 -8.641 15.863 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.788 -6.871 15.853 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.513 -7.635 14.909 1.00 0.00 H new ATOM 789 N ARG A 54 -0.064 -9.141 12.670 1.00 0.00 N ATOM 790 CA ARG A 54 -0.487 -10.285 11.871 1.00 0.00 C ATOM 791 C ARG A 54 0.625 -10.729 10.925 1.00 0.00 C ATOM 792 O ARG A 54 0.953 -11.914 10.849 1.00 0.00 O ATOM 793 CB ARG A 54 -1.744 -9.938 11.071 1.00 0.00 C ATOM 794 CG ARG A 54 -2.647 -11.132 10.808 1.00 0.00 C ATOM 795 CD ARG A 54 -1.969 -12.158 9.913 1.00 0.00 C ATOM 796 NE ARG A 54 -2.864 -13.257 9.564 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.279 -14.172 10.434 1.00 0.00 C ATOM 798 NH1 ARG A 54 -2.881 -14.118 11.697 1.00 0.00 N ATOM 799 NH2 ARG A 54 -4.094 -15.142 10.040 1.00 0.00 N ATOM 0 H ARG A 54 -0.757 -8.396 12.740 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.712 -11.107 12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.309 -9.178 11.610 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.448 -9.500 10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.921 -11.598 11.755 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.572 -10.794 10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.621 -11.671 9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.088 -12.554 10.419 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.189 -13.327 8.600 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.255 -13.373 12.003 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.201 -14.821 12.363 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.402 -15.186 9.069 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.412 -15.844 10.708 1.00 0.00 H new ATOM 813 N LEU A 55 1.200 -9.772 10.206 1.00 0.00 N ATOM 814 CA LEU A 55 2.275 -10.064 9.265 1.00 0.00 C ATOM 815 C LEU A 55 3.454 -10.726 9.971 1.00 0.00 C ATOM 816 O LEU A 55 3.804 -11.869 9.677 1.00 0.00 O ATOM 817 CB LEU A 55 2.737 -8.780 8.573 1.00 0.00 C ATOM 818 CG LEU A 55 3.961 -8.909 7.665 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.546 -9.349 6.270 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.723 -7.593 7.607 1.00 0.00 C ATOM 0 H LEU A 55 0.940 -8.787 10.257 1.00 0.00 H new ATOM 0 HA LEU A 55 1.889 -10.756 8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.909 -8.393 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.955 -8.036 9.339 1.00 0.00 H new ATOM 0 HG LEU A 55 4.621 -9.670 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.430 -9.435 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.045 -10.315 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.865 -8.612 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.591 -7.703 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.072 -6.812 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.053 -7.319 8.609 1.00 0.00 H new ATOM 832 N SER A 56 4.059 -10.002 10.907 1.00 0.00 N ATOM 833 CA SER A 56 5.199 -10.518 11.655 1.00 0.00 C ATOM 834 C SER A 56 4.943 -11.950 12.116 1.00 0.00 C ATOM 835 O SER A 56 5.788 -12.828 11.949 1.00 0.00 O ATOM 836 CB SER A 56 5.490 -9.626 12.863 1.00 0.00 C ATOM 837 OG SER A 56 6.864 -9.666 13.208 1.00 0.00 O ATOM 0 H SER A 56 3.779 -9.056 11.165 1.00 0.00 H new ATOM 0 HA SER A 56 6.066 -10.517 10.994 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.198 -8.600 12.640 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.889 -9.951 13.712 1.00 0.00 H new ATOM 0 HG SER A 56 7.024 -9.086 13.982 1.00 0.00 H new ATOM 843 N ASN A 57 3.769 -12.176 12.698 1.00 0.00 N ATOM 844 CA ASN A 57 3.400 -13.500 13.185 1.00 0.00 C ATOM 845 C ASN A 57 3.726 -14.571 12.148 1.00 0.00 C ATOM 846 O ASN A 57 4.332 -15.595 12.467 1.00 0.00 O ATOM 847 CB ASN A 57 1.910 -13.543 13.527 1.00 0.00 C ATOM 848 CG ASN A 57 1.410 -14.956 13.758 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.161 -15.828 14.197 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.136 -15.189 13.463 1.00 0.00 N ATOM 0 H ASN A 57 3.058 -11.460 12.844 1.00 0.00 H new ATOM 0 HA ASN A 57 3.979 -13.703 14.086 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.728 -12.946 14.420 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.341 -13.087 12.717 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.257 -16.121 13.598 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.450 -14.436 13.102 1.00 0.00 H new ATOM 857 N LEU A 58 3.322 -14.328 10.907 1.00 0.00 N ATOM 858 CA LEU A 58 3.571 -15.270 9.822 1.00 0.00 C ATOM 859 C LEU A 58 5.068 -15.476 9.612 1.00 0.00 C ATOM 860 O LEU A 58 5.501 -16.527 9.141 1.00 0.00 O ATOM 861 CB LEU A 58 2.928 -14.771 8.527 1.00 0.00 C ATOM 862 CG LEU A 58 2.600 -15.840 7.484 1.00 0.00 C ATOM 863 CD1 LEU A 58 1.235 -16.452 7.758 1.00 0.00 C ATOM 864 CD2 LEU A 58 2.651 -15.251 6.082 1.00 0.00 C ATOM 0 H LEU A 58 2.820 -13.486 10.626 1.00 0.00 H new ATOM 0 HA LEU A 58 3.125 -16.226 10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.007 -14.246 8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.596 -14.041 8.071 1.00 0.00 H new ATOM 0 HG LEU A 58 3.349 -16.629 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.019 -17.211 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.234 -16.911 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.473 -15.674 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.415 -16.026 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.924 -14.443 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.650 -14.862 5.887 1.00 0.00 H new ATOM 876 N ALA A 59 5.855 -14.465 9.969 1.00 0.00 N ATOM 877 CA ALA A 59 7.303 -14.537 9.824 1.00 0.00 C ATOM 878 C ALA A 59 7.846 -15.848 10.380 1.00 0.00 C ATOM 879 O ALA A 59 8.869 -16.355 9.917 1.00 0.00 O ATOM 880 CB ALA A 59 7.962 -13.354 10.518 1.00 0.00 C ATOM 0 H ALA A 59 5.513 -13.587 10.360 1.00 0.00 H new ATOM 0 HA ALA A 59 7.539 -14.498 8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.044 -13.420 10.402 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.605 -12.426 10.072 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.710 -13.367 11.578 1.00 0.00 H new ATOM 886 N LEU A 60 7.157 -16.394 11.376 1.00 0.00 N ATOM 887 CA LEU A 60 7.571 -17.648 11.997 1.00 0.00 C ATOM 888 C LEU A 60 7.280 -18.831 11.079 1.00 0.00 C ATOM 889 O LEU A 60 8.197 -19.464 10.556 1.00 0.00 O ATOM 890 CB LEU A 60 6.856 -17.837 13.335 1.00 0.00 C ATOM 891 CG LEU A 60 7.048 -16.722 14.363 1.00 0.00 C ATOM 892 CD1 LEU A 60 5.906 -16.718 15.367 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.385 -16.877 15.074 1.00 0.00 C ATOM 0 H LEU A 60 6.309 -15.988 11.771 1.00 0.00 H new ATOM 0 HA LEU A 60 8.646 -17.603 12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.789 -17.945 13.141 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.197 -18.773 13.777 1.00 0.00 H new ATOM 0 HG LEU A 60 7.046 -15.767 13.838 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.060 -15.918 16.091 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.963 -16.558 14.845 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.875 -17.676 15.887 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.505 -16.075 15.802 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.416 -17.839 15.586 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.193 -16.828 14.344 1.00 0.00 H new ATOM 905 N VAL A 61 5.998 -19.124 10.887 1.00 0.00 N ATOM 906 CA VAL A 61 5.586 -20.229 10.031 1.00 0.00 C ATOM 907 C VAL A 61 6.192 -20.100 8.638 1.00 0.00 C ATOM 908 O VAL A 61 6.785 -21.045 8.116 1.00 0.00 O ATOM 909 CB VAL A 61 4.052 -20.301 9.907 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.441 -20.885 11.171 1.00 0.00 C ATOM 911 CG2 VAL A 61 3.476 -18.924 9.613 1.00 0.00 C ATOM 0 H VAL A 61 5.226 -18.611 11.313 1.00 0.00 H new ATOM 0 HA VAL A 61 5.949 -21.144 10.499 1.00 0.00 H new ATOM 0 HB VAL A 61 3.803 -20.959 9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.357 -20.928 11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.830 -21.890 11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.697 -20.256 12.023 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.392 -18.994 9.529 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.734 -18.241 10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.889 -18.549 8.677 1.00 0.00 H new ATOM 921 N LYS A 62 6.040 -18.924 8.039 1.00 0.00 N ATOM 922 CA LYS A 62 6.573 -18.668 6.706 1.00 0.00 C ATOM 923 C LYS A 62 7.424 -17.402 6.694 1.00 0.00 C ATOM 924 O LYS A 62 6.965 -16.320 6.330 1.00 0.00 O ATOM 925 CB LYS A 62 5.433 -18.538 5.694 1.00 0.00 C ATOM 926 CG LYS A 62 4.340 -19.577 5.873 1.00 0.00 C ATOM 927 CD LYS A 62 3.117 -19.250 5.033 1.00 0.00 C ATOM 928 CE LYS A 62 1.858 -19.878 5.612 1.00 0.00 C ATOM 929 NZ LYS A 62 0.849 -20.173 4.558 1.00 0.00 N ATOM 0 H LYS A 62 5.551 -18.132 8.456 1.00 0.00 H new ATOM 0 HA LYS A 62 7.204 -19.512 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.995 -17.544 5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.841 -18.622 4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.722 -20.559 5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.057 -19.631 6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.992 -18.169 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.268 -19.608 4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.119 -20.799 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.424 -19.205 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.007 -20.600 4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.581 -19.291 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.254 -20.835 3.866 1.00 0.00 H new ATOM 943 N PRO A 63 8.695 -17.539 7.100 1.00 0.00 N ATOM 944 CA PRO A 63 9.638 -16.417 7.143 1.00 0.00 C ATOM 945 C PRO A 63 10.031 -15.936 5.750 1.00 0.00 C ATOM 946 O PRO A 63 10.508 -14.815 5.583 1.00 0.00 O ATOM 947 CB PRO A 63 10.852 -17.000 7.870 1.00 0.00 C ATOM 948 CG PRO A 63 10.776 -18.466 7.618 1.00 0.00 C ATOM 949 CD PRO A 63 9.311 -18.799 7.548 1.00 0.00 C ATOM 0 HA PRO A 63 9.209 -15.544 7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.782 -16.580 7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.818 -16.779 8.937 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.281 -18.729 6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.266 -19.025 8.416 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.117 -19.612 6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.924 -19.113 8.517 1.00 0.00 H new ATOM 957 N GLU A 64 9.827 -16.793 4.754 1.00 0.00 N ATOM 958 CA GLU A 64 10.162 -16.455 3.376 1.00 0.00 C ATOM 959 C GLU A 64 9.004 -15.727 2.698 1.00 0.00 C ATOM 960 O GLU A 64 9.201 -14.716 2.024 1.00 0.00 O ATOM 961 CB GLU A 64 10.515 -17.718 2.589 1.00 0.00 C ATOM 962 CG GLU A 64 11.682 -18.494 3.174 1.00 0.00 C ATOM 963 CD GLU A 64 12.845 -17.598 3.556 1.00 0.00 C ATOM 964 OE1 GLU A 64 12.848 -17.080 4.692 1.00 0.00 O ATOM 965 OE2 GLU A 64 13.753 -17.417 2.717 1.00 0.00 O ATOM 0 H GLU A 64 9.432 -17.725 4.876 1.00 0.00 H new ATOM 0 HA GLU A 64 11.027 -15.792 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.641 -18.368 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.752 -17.441 1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.345 -19.041 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.021 -19.234 2.449 1.00 0.00 H new ATOM 972 N LYS A 65 7.796 -16.249 2.882 1.00 0.00 N ATOM 973 CA LYS A 65 6.605 -15.650 2.291 1.00 0.00 C ATOM 974 C LYS A 65 6.383 -14.239 2.825 1.00 0.00 C ATOM 975 O LYS A 65 6.088 -13.315 2.065 1.00 0.00 O ATOM 976 CB LYS A 65 5.377 -16.516 2.580 1.00 0.00 C ATOM 977 CG LYS A 65 4.070 -15.889 2.124 1.00 0.00 C ATOM 978 CD LYS A 65 3.849 -16.083 0.633 1.00 0.00 C ATOM 979 CE LYS A 65 4.442 -14.936 -0.171 1.00 0.00 C ATOM 980 NZ LYS A 65 4.886 -15.378 -1.523 1.00 0.00 N ATOM 0 H LYS A 65 7.616 -17.086 3.436 1.00 0.00 H new ATOM 0 HA LYS A 65 6.755 -15.591 1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.499 -17.481 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.323 -16.710 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.241 -16.331 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.076 -14.824 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.301 -17.023 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.781 -16.158 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.701 -14.143 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.289 -14.513 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.284 -14.568 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.611 -16.117 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.073 -15.758 -2.048 1.00 0.00 H new ATOM 994 N THR A 66 6.528 -14.077 4.136 1.00 0.00 N ATOM 995 CA THR A 66 6.344 -12.779 4.772 1.00 0.00 C ATOM 996 C THR A 66 7.225 -11.718 4.122 1.00 0.00 C ATOM 997 O THR A 66 6.785 -10.596 3.875 1.00 0.00 O ATOM 998 CB THR A 66 6.660 -12.840 6.278 1.00 0.00 C ATOM 999 OG1 THR A 66 6.089 -14.022 6.850 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.119 -11.612 6.995 1.00 0.00 C ATOM 0 H THR A 66 6.773 -14.830 4.779 1.00 0.00 H new ATOM 0 HA THR A 66 5.296 -12.509 4.639 1.00 0.00 H new ATOM 0 HB THR A 66 7.743 -12.864 6.399 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.750 -14.745 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.354 -11.678 8.057 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.577 -10.715 6.577 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.038 -11.562 6.865 1.00 0.00 H new ATOM 1008 N LYS A 67 8.473 -12.081 3.846 1.00 0.00 N ATOM 1009 CA LYS A 67 9.418 -11.162 3.223 1.00 0.00 C ATOM 1010 C LYS A 67 8.845 -10.586 1.932 1.00 0.00 C ATOM 1011 O LYS A 67 8.753 -9.369 1.771 1.00 0.00 O ATOM 1012 CB LYS A 67 10.740 -11.876 2.932 1.00 0.00 C ATOM 1013 CG LYS A 67 11.702 -11.877 4.108 1.00 0.00 C ATOM 1014 CD LYS A 67 13.147 -11.965 3.646 1.00 0.00 C ATOM 1015 CE LYS A 67 13.701 -10.596 3.283 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.086 -9.816 4.492 1.00 0.00 N ATOM 0 H LYS A 67 8.854 -13.006 4.044 1.00 0.00 H new ATOM 0 HA LYS A 67 9.600 -10.342 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.531 -12.906 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.222 -11.397 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.561 -10.969 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.477 -12.719 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.756 -12.407 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.214 -12.626 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.570 -10.716 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.954 -10.041 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.459 -8.889 4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.252 -9.680 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.817 -10.334 5.021 1.00 0.00 H new ATOM 1030 N ALA A 68 8.461 -11.468 1.015 1.00 0.00 N ATOM 1031 CA ALA A 68 7.894 -11.046 -0.260 1.00 0.00 C ATOM 1032 C ALA A 68 6.852 -9.950 -0.062 1.00 0.00 C ATOM 1033 O ALA A 68 6.951 -8.873 -0.650 1.00 0.00 O ATOM 1034 CB ALA A 68 7.279 -12.236 -0.983 1.00 0.00 C ATOM 0 H ALA A 68 8.532 -12.479 1.131 1.00 0.00 H new ATOM 0 HA ALA A 68 8.700 -10.639 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.859 -11.907 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.047 -12.987 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.489 -12.667 -0.368 1.00 0.00 H new ATOM 1040 N VAL A 69 5.854 -10.231 0.770 1.00 0.00 N ATOM 1041 CA VAL A 69 4.795 -9.268 1.046 1.00 0.00 C ATOM 1042 C VAL A 69 5.369 -7.884 1.323 1.00 0.00 C ATOM 1043 O VAL A 69 5.013 -6.910 0.661 1.00 0.00 O ATOM 1044 CB VAL A 69 3.937 -9.707 2.247 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.843 -8.687 2.523 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.342 -11.085 2.002 1.00 0.00 C ATOM 0 H VAL A 69 5.757 -11.118 1.264 1.00 0.00 H new ATOM 0 HA VAL A 69 4.166 -9.225 0.157 1.00 0.00 H new ATOM 0 HB VAL A 69 4.578 -9.764 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.247 -9.014 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.295 -7.720 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.202 -8.594 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.739 -11.379 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.715 -11.057 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.145 -11.808 1.858 1.00 0.00 H new ATOM 1056 N GLU A 70 6.260 -7.805 2.307 1.00 0.00 N ATOM 1057 CA GLU A 70 6.884 -6.538 2.672 1.00 0.00 C ATOM 1058 C GLU A 70 7.359 -5.788 1.431 1.00 0.00 C ATOM 1059 O GLU A 70 7.137 -4.586 1.297 1.00 0.00 O ATOM 1060 CB GLU A 70 8.062 -6.779 3.619 1.00 0.00 C ATOM 1061 CG GLU A 70 7.655 -7.366 4.960 1.00 0.00 C ATOM 1062 CD GLU A 70 8.833 -7.554 5.896 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.831 -8.176 5.474 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.758 -7.080 7.048 1.00 0.00 O ATOM 0 H GLU A 70 6.566 -8.602 2.865 1.00 0.00 H new ATOM 0 HA GLU A 70 6.138 -5.927 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.772 -7.452 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.581 -5.835 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.922 -6.711 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.167 -8.327 4.799 1.00 0.00 H new ATOM 1071 N ASN A 71 8.014 -6.508 0.527 1.00 0.00 N ATOM 1072 CA ASN A 71 8.523 -5.911 -0.703 1.00 0.00 C ATOM 1073 C ASN A 71 7.376 -5.447 -1.597 1.00 0.00 C ATOM 1074 O ASN A 71 7.517 -4.490 -2.359 1.00 0.00 O ATOM 1075 CB ASN A 71 9.399 -6.913 -1.457 1.00 0.00 C ATOM 1076 CG ASN A 71 10.847 -6.868 -1.008 1.00 0.00 C ATOM 1077 OD1 ASN A 71 11.468 -5.805 -0.983 1.00 0.00 O ATOM 1078 ND2 ASN A 71 11.391 -8.025 -0.650 1.00 0.00 N ATOM 0 H ASN A 71 8.205 -7.505 0.622 1.00 0.00 H new ATOM 0 HA ASN A 71 9.125 -5.043 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.006 -7.919 -1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.346 -6.705 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.362 -8.057 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.838 -8.881 -0.687 1.00 0.00 H new ATOM 1085 N TYR A 72 6.242 -6.132 -1.497 1.00 0.00 N ATOM 1086 CA TYR A 72 5.072 -5.792 -2.298 1.00 0.00 C ATOM 1087 C TYR A 72 4.425 -4.504 -1.797 1.00 0.00 C ATOM 1088 O TYR A 72 4.101 -3.612 -2.583 1.00 0.00 O ATOM 1089 CB TYR A 72 4.055 -6.934 -2.262 1.00 0.00 C ATOM 1090 CG TYR A 72 2.722 -6.577 -2.881 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.654 -5.969 -4.129 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.531 -6.849 -2.219 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.438 -5.641 -4.698 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.311 -6.526 -2.781 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.270 -5.922 -4.020 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.942 -5.597 -4.584 1.00 0.00 O ATOM 0 H TYR A 72 6.108 -6.925 -0.870 1.00 0.00 H new ATOM 0 HA TYR A 72 5.399 -5.637 -3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.470 -7.796 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.896 -7.236 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.567 -5.749 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.560 -7.321 -1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.402 -5.167 -5.668 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.605 -6.745 -2.253 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.139 -4.652 -4.415 1.00 0.00 H new ATOM 1106 N LEU A 73 4.241 -4.414 -0.485 1.00 0.00 N ATOM 1107 CA LEU A 73 3.633 -3.235 0.123 1.00 0.00 C ATOM 1108 C LEU A 73 4.482 -1.993 -0.131 1.00 0.00 C ATOM 1109 O LEU A 73 3.958 -0.929 -0.465 1.00 0.00 O ATOM 1110 CB LEU A 73 3.456 -3.446 1.627 1.00 0.00 C ATOM 1111 CG LEU A 73 2.475 -4.544 2.040 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.520 -4.763 3.544 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.063 -4.192 1.593 1.00 0.00 C ATOM 0 H LEU A 73 4.504 -5.143 0.179 1.00 0.00 H new ATOM 0 HA LEU A 73 2.655 -3.084 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.430 -3.676 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.125 -2.506 2.069 1.00 0.00 H new ATOM 0 HG LEU A 73 2.770 -5.472 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.815 -5.548 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.527 -5.060 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.250 -3.838 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.378 -4.984 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.759 -3.253 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.040 -4.087 0.508 1.00 0.00 H new ATOM 1125 N ILE A 74 5.793 -2.136 0.027 1.00 0.00 N ATOM 1126 CA ILE A 74 6.714 -1.027 -0.189 1.00 0.00 C ATOM 1127 C ILE A 74 6.554 -0.444 -1.589 1.00 0.00 C ATOM 1128 O ILE A 74 6.293 0.748 -1.748 1.00 0.00 O ATOM 1129 CB ILE A 74 8.177 -1.463 0.009 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.428 -1.834 1.472 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.124 -0.357 -0.432 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.509 -2.877 1.655 1.00 0.00 C ATOM 0 H ILE A 74 6.242 -3.009 0.304 1.00 0.00 H new ATOM 0 HA ILE A 74 6.468 -0.264 0.550 1.00 0.00 H new ATOM 0 HB ILE A 74 8.365 -2.342 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.704 -0.936 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.500 -2.204 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.155 -0.681 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.959 -0.136 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.938 0.539 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.633 -3.091 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.226 -3.790 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.448 -2.502 1.249 1.00 0.00 H new ATOM 1144 N GLN A 75 6.710 -1.293 -2.599 1.00 0.00 N ATOM 1145 CA GLN A 75 6.582 -0.862 -3.986 1.00 0.00 C ATOM 1146 C GLN A 75 5.228 -0.203 -4.228 1.00 0.00 C ATOM 1147 O GLN A 75 5.117 0.739 -5.012 1.00 0.00 O ATOM 1148 CB GLN A 75 6.760 -2.051 -4.931 1.00 0.00 C ATOM 1149 CG GLN A 75 5.747 -3.163 -4.707 1.00 0.00 C ATOM 1150 CD GLN A 75 5.670 -4.126 -5.876 1.00 0.00 C ATOM 1151 OE1 GLN A 75 4.692 -4.136 -6.623 1.00 0.00 O ATOM 1152 NE2 GLN A 75 6.705 -4.942 -6.039 1.00 0.00 N ATOM 0 H GLN A 75 6.925 -2.283 -2.483 1.00 0.00 H new ATOM 0 HA GLN A 75 7.364 -0.129 -4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.682 -1.701 -5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.765 -2.456 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.011 -3.714 -3.804 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.764 -2.725 -4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.495 -4.899 -5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.710 -5.612 -6.808 1.00 0.00 H new ATOM 1161 N MET A 76 4.201 -0.706 -3.550 1.00 0.00 N ATOM 1162 CA MET A 76 2.854 -0.165 -3.692 1.00 0.00 C ATOM 1163 C MET A 76 2.772 1.246 -3.119 1.00 0.00 C ATOM 1164 O MET A 76 2.088 2.110 -3.668 1.00 0.00 O ATOM 1165 CB MET A 76 1.841 -1.073 -2.990 1.00 0.00 C ATOM 1166 CG MET A 76 1.384 -2.245 -3.843 1.00 0.00 C ATOM 1167 SD MET A 76 -0.271 -2.815 -3.408 1.00 0.00 S ATOM 1168 CE MET A 76 -0.051 -3.202 -1.673 1.00 0.00 C ATOM 0 H MET A 76 4.276 -1.486 -2.898 1.00 0.00 H new ATOM 0 HA MET A 76 2.617 -0.121 -4.755 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.284 -1.454 -2.070 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.971 -0.481 -2.704 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.400 -1.953 -4.893 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.089 -3.068 -3.730 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.991 -3.569 -1.260 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.716 -3.969 -1.566 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.256 -2.304 -1.136 1.00 0.00 H new ATOM 1178 N ALA A 77 3.473 1.473 -2.013 1.00 0.00 N ATOM 1179 CA ALA A 77 3.480 2.780 -1.368 1.00 0.00 C ATOM 1180 C ALA A 77 4.053 3.847 -2.295 1.00 0.00 C ATOM 1181 O ALA A 77 3.453 4.905 -2.483 1.00 0.00 O ATOM 1182 CB ALA A 77 4.274 2.724 -0.071 1.00 0.00 C ATOM 0 H ALA A 77 4.043 0.769 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 77 2.449 3.050 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.271 3.707 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.820 1.997 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.301 2.428 -0.285 1.00 0.00 H new ATOM 1188 N ARG A 78 5.216 3.562 -2.870 1.00 0.00 N ATOM 1189 CA ARG A 78 5.870 4.498 -3.776 1.00 0.00 C ATOM 1190 C ARG A 78 4.959 4.844 -4.951 1.00 0.00 C ATOM 1191 O ARG A 78 4.723 6.016 -5.242 1.00 0.00 O ATOM 1192 CB ARG A 78 7.184 3.908 -4.292 1.00 0.00 C ATOM 1193 CG ARG A 78 8.122 3.452 -3.187 1.00 0.00 C ATOM 1194 CD ARG A 78 9.197 2.517 -3.719 1.00 0.00 C ATOM 1195 NE ARG A 78 10.204 2.209 -2.707 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.369 1.632 -2.981 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.671 1.301 -4.229 1.00 0.00 N ATOM 1198 NH2 ARG A 78 12.233 1.383 -2.006 1.00 0.00 N ATOM 0 H ARG A 78 5.725 2.690 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 78 6.083 5.412 -3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.962 3.061 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.692 4.654 -4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.590 4.321 -2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.551 2.946 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.735 1.592 -4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.679 2.974 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 78 10.002 2.450 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.008 1.489 -4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.566 0.858 -4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.003 1.635 -1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.127 0.940 -2.218 1.00 0.00 H new ATOM 1212 N TYR A 79 4.453 3.816 -5.623 1.00 0.00 N ATOM 1213 CA TYR A 79 3.571 4.011 -6.767 1.00 0.00 C ATOM 1214 C TYR A 79 2.382 4.891 -6.395 1.00 0.00 C ATOM 1215 O TYR A 79 2.117 5.903 -7.043 1.00 0.00 O ATOM 1216 CB TYR A 79 3.076 2.662 -7.292 1.00 0.00 C ATOM 1217 CG TYR A 79 4.051 1.981 -8.227 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.384 1.817 -7.873 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.638 1.503 -9.464 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.278 1.197 -8.724 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.525 0.880 -10.321 1.00 0.00 C ATOM 1222 CZ TYR A 79 5.844 0.730 -9.947 1.00 0.00 C ATOM 1223 OH TYR A 79 6.731 0.110 -10.797 1.00 0.00 O ATOM 0 H TYR A 79 4.639 2.839 -5.395 1.00 0.00 H new ATOM 0 HA TYR A 79 4.140 4.512 -7.550 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.876 2.004 -6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.129 2.809 -7.812 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.727 2.181 -6.916 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.606 1.620 -9.761 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.311 1.079 -8.433 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.187 0.512 -11.279 1.00 0.00 H new ATOM 0 HH TYR A 79 6.265 -0.160 -11.616 1.00 0.00 H new ATOM 1233 N GLY A 80 1.668 4.497 -5.345 1.00 0.00 N ATOM 1234 CA GLY A 80 0.515 5.261 -4.903 1.00 0.00 C ATOM 1235 C GLY A 80 -0.773 4.466 -4.985 1.00 0.00 C ATOM 1236 O GLY A 80 -1.822 5.007 -5.333 1.00 0.00 O ATOM 0 H GLY A 80 1.867 3.663 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.672 5.588 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.423 6.160 -5.513 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.693 3.178 -4.665 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.862 2.308 -4.706 1.00 0.00 C ATOM 1242 C GLN A 81 -2.595 2.316 -3.369 1.00 0.00 C ATOM 1243 O GLN A 81 -3.820 2.426 -3.321 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.448 0.880 -5.066 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.803 0.761 -6.438 1.00 0.00 C ATOM 1246 CD GLN A 81 -0.167 -0.596 -6.668 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -0.849 -1.621 -6.672 1.00 0.00 O ATOM 1248 NE2 GLN A 81 1.147 -0.610 -6.860 1.00 0.00 N ATOM 0 H GLN A 81 0.168 2.715 -4.375 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.539 2.687 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.751 0.512 -4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.326 0.236 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.556 0.940 -7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.045 1.537 -6.547 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.673 0.264 -6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.630 -1.494 -7.019 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.837 2.197 -2.284 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.414 2.190 -0.945 1.00 0.00 C ATOM 1259 C LEU A 82 -3.084 3.525 -0.633 1.00 0.00 C ATOM 1260 O LEU A 82 -2.469 4.584 -0.761 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.333 1.894 0.096 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.578 0.576 -0.077 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.831 0.690 0.484 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.331 -0.563 0.597 1.00 0.00 C ATOM 0 H LEU A 82 -0.821 2.104 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.171 1.407 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.609 2.709 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.796 1.897 1.083 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.507 0.358 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.353 -0.258 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.370 1.478 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.781 0.932 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.779 -1.493 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.434 -0.352 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.320 -0.661 0.149 1.00 0.00 H new ATOM 1276 N SER A 83 -4.346 3.466 -0.222 1.00 0.00 N ATOM 1277 CA SER A 83 -5.100 4.670 0.106 1.00 0.00 C ATOM 1278 C SER A 83 -5.039 4.958 1.603 1.00 0.00 C ATOM 1279 O SER A 83 -4.791 6.090 2.018 1.00 0.00 O ATOM 1280 CB SER A 83 -6.557 4.522 -0.337 1.00 0.00 C ATOM 1281 OG SER A 83 -6.666 4.551 -1.750 1.00 0.00 O ATOM 0 H SER A 83 -4.868 2.597 -0.108 1.00 0.00 H new ATOM 0 HA SER A 83 -4.649 5.507 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.962 3.584 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.155 5.325 0.094 1.00 0.00 H new ATOM 0 HG SER A 83 -7.606 4.453 -2.008 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.267 3.925 2.408 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.238 4.067 3.859 1.00 0.00 C ATOM 1289 C GLU A 84 -4.467 2.919 4.503 1.00 0.00 C ATOM 1290 O GLU A 84 -4.088 1.957 3.834 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.662 4.116 4.417 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.462 2.850 4.155 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.926 3.000 4.520 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.687 3.559 3.703 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -9.312 2.558 5.623 1.00 0.00 O ATOM 0 H GLU A 84 -5.474 2.981 2.080 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.730 5.001 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.616 4.291 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.186 4.965 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.379 2.584 3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.031 2.028 4.726 1.00 0.00 H new ATOM 1302 N LYS A 85 -4.237 3.026 5.807 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.512 1.998 6.544 1.00 0.00 C ATOM 1304 C LYS A 85 -4.218 0.650 6.434 1.00 0.00 C ATOM 1305 O LYS A 85 -5.310 0.464 6.970 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.377 2.396 8.016 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.404 3.538 8.250 1.00 0.00 C ATOM 1308 CD LYS A 85 -1.947 3.594 9.698 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.294 4.928 10.026 1.00 0.00 C ATOM 1310 NZ LYS A 85 -1.352 5.230 11.483 1.00 0.00 N ATOM 0 H LYS A 85 -4.543 3.815 6.376 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.518 1.905 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.357 2.681 8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.051 1.529 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.538 3.419 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.878 4.482 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.801 3.434 10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.241 2.786 9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.254 4.914 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.792 5.723 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.897 6.147 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.345 5.269 11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.855 4.485 12.012 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.585 -0.289 5.737 1.00 0.00 N ATOM 1325 CA VAL A 86 -4.151 -1.620 5.559 1.00 0.00 C ATOM 1326 C VAL A 86 -4.522 -2.244 6.900 1.00 0.00 C ATOM 1327 O VAL A 86 -3.768 -2.151 7.869 1.00 0.00 O ATOM 1328 CB VAL A 86 -3.169 -2.554 4.825 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.728 -3.967 4.755 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.868 -2.021 3.433 1.00 0.00 C ATOM 0 H VAL A 86 -2.680 -0.152 5.287 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.051 -1.503 4.955 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.235 -2.586 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.021 -4.612 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.888 -4.345 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.676 -3.957 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.173 -2.692 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.793 -1.958 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.422 -1.030 3.512 1.00 0.00 H new ATOM 1340 N SER A 87 -5.688 -2.879 6.949 1.00 0.00 N ATOM 1341 CA SER A 87 -6.161 -3.516 8.172 1.00 0.00 C ATOM 1342 C SER A 87 -5.995 -5.031 8.096 1.00 0.00 C ATOM 1343 O SER A 87 -5.786 -5.589 7.019 1.00 0.00 O ATOM 1344 CB SER A 87 -7.629 -3.165 8.420 1.00 0.00 C ATOM 1345 OG SER A 87 -8.487 -3.966 7.626 1.00 0.00 O ATOM 0 H SER A 87 -6.323 -2.966 6.156 1.00 0.00 H new ATOM 0 HA SER A 87 -5.560 -3.143 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.867 -3.307 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.797 -2.112 8.194 1.00 0.00 H new ATOM 0 HG SER A 87 -9.419 -3.723 7.805 1.00 0.00 H new ATOM 1351 N GLU A 88 -6.089 -5.689 9.247 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.948 -7.139 9.311 1.00 0.00 C ATOM 1353 C GLU A 88 -6.530 -7.798 8.063 1.00 0.00 C ATOM 1354 O GLU A 88 -5.808 -8.415 7.281 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.641 -7.686 10.560 1.00 0.00 C ATOM 1356 CG GLU A 88 -6.041 -8.986 11.069 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.963 -9.721 12.023 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.063 -9.299 13.194 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -7.584 -10.717 11.598 1.00 0.00 O ATOM 0 H GLU A 88 -6.262 -5.242 10.147 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.885 -7.373 9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.590 -6.938 11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.697 -7.845 10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.812 -9.632 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.098 -8.774 11.573 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.841 -7.661 7.886 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.520 -8.244 6.735 1.00 0.00 C ATOM 1368 C GLN A 89 -7.726 -8.004 5.456 1.00 0.00 C ATOM 1369 O GLN A 89 -7.255 -8.946 4.819 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.926 -7.657 6.595 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.905 -8.584 5.892 1.00 0.00 C ATOM 1372 CD GLN A 89 -10.628 -8.707 4.407 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -10.325 -9.791 3.908 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -10.730 -7.593 3.691 1.00 0.00 N ATOM 0 H GLN A 89 -8.453 -7.152 8.524 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.597 -9.319 6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.312 -7.419 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.866 -6.719 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.857 -9.572 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.920 -8.214 6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.984 -6.716 4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.555 -7.615 2.686 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.581 -6.736 5.083 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.844 -6.395 3.881 1.00 0.00 C ATOM 1385 C GLY A 90 -5.514 -7.117 3.792 1.00 0.00 C ATOM 1386 O GLY A 90 -5.189 -7.712 2.764 1.00 0.00 O ATOM 0 H GLY A 90 -7.961 -5.939 5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.447 -6.641 3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.672 -5.319 3.857 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.741 -7.063 4.871 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.437 -7.716 4.911 1.00 0.00 C ATOM 1392 C LEU A 91 -3.565 -9.208 4.621 1.00 0.00 C ATOM 1393 O LEU A 91 -3.092 -9.692 3.593 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.781 -7.505 6.277 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.347 -8.017 6.419 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.352 -6.939 6.018 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -1.086 -8.483 7.844 1.00 0.00 C ATOM 0 H LEU A 91 -4.994 -6.574 5.730 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.810 -7.268 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.788 -6.438 6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.396 -7.993 7.033 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.218 -8.868 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.663 -7.322 6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.524 -6.653 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.481 -6.068 6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.061 -8.844 7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.234 -7.651 8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.776 -9.289 8.095 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.209 -9.929 5.532 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.402 -11.365 5.371 1.00 0.00 C ATOM 1411 C ILE A 92 -4.652 -11.726 3.911 1.00 0.00 C ATOM 1412 O ILE A 92 -4.213 -12.773 3.437 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.580 -11.873 6.223 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.341 -11.561 7.702 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -5.778 -13.367 6.017 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.426 -12.090 8.614 1.00 0.00 C ATOM 0 H ILE A 92 -4.606 -9.543 6.389 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.485 -11.847 5.710 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.487 -11.359 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.384 -11.986 8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.265 -10.481 7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.614 -13.711 6.626 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.989 -13.565 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.873 -13.898 6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.191 -11.832 9.647 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.382 -11.646 8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.488 -13.174 8.516 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.359 -10.851 3.203 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.666 -11.078 1.796 1.00 0.00 C ATOM 1430 C GLU A 93 -4.418 -10.910 0.933 1.00 0.00 C ATOM 1431 O GLU A 93 -4.145 -11.727 0.053 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.757 -10.113 1.327 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.091 -10.318 2.025 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.164 -9.371 1.523 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -8.985 -8.143 1.665 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.182 -9.858 0.989 1.00 0.00 O ATOM 0 H GLU A 93 -5.730 -9.979 3.581 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.026 -12.101 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.422 -9.089 1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.897 -10.230 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.421 -11.346 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.961 -10.177 3.098 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.667 -9.845 1.191 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.449 -9.569 0.438 1.00 0.00 C ATOM 1445 C ILE A 94 -1.491 -10.754 0.492 1.00 0.00 C ATOM 1446 O ILE A 94 -0.904 -11.138 -0.521 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.729 -8.317 0.972 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.601 -7.076 0.769 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.384 -8.145 0.281 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.967 -5.802 1.282 1.00 0.00 C ATOM 0 H ILE A 94 -3.880 -9.159 1.915 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.749 -9.393 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.553 -8.444 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.816 -6.963 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.556 -7.226 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.113 -7.256 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.237 -9.020 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.538 -8.035 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.641 -4.964 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.777 -5.895 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.026 -5.628 0.760 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.338 -11.331 1.678 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.452 -12.475 1.864 1.00 0.00 C ATOM 1464 C LEU A 95 -0.798 -13.596 0.889 1.00 0.00 C ATOM 1465 O LEU A 95 0.061 -14.395 0.514 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.543 -12.988 3.302 1.00 0.00 C ATOM 1467 CG LEU A 95 0.035 -12.070 4.380 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.595 -12.371 5.731 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.548 -12.216 4.450 1.00 0.00 C ATOM 0 H LEU A 95 -1.816 -11.026 2.526 1.00 0.00 H new ATOM 0 HA LEU A 95 0.569 -12.148 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.592 -13.173 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.030 -13.948 3.357 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.198 -11.039 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.172 -11.708 6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.672 -12.214 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.394 -13.407 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.942 -11.555 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.803 -13.248 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.984 -11.949 3.487 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.061 -13.649 0.481 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.522 -14.670 -0.453 1.00 0.00 C ATOM 1483 C LYS A 96 -2.579 -14.120 -1.875 1.00 0.00 C ATOM 1484 O LYS A 96 -3.302 -14.640 -2.724 1.00 0.00 O ATOM 1485 CB LYS A 96 -3.902 -15.184 -0.038 1.00 0.00 C ATOM 1486 CG LYS A 96 -3.953 -15.710 1.386 1.00 0.00 C ATOM 1487 CD LYS A 96 -5.359 -15.638 1.957 1.00 0.00 C ATOM 1488 CE LYS A 96 -5.360 -15.848 3.464 1.00 0.00 C ATOM 1489 NZ LYS A 96 -5.280 -17.291 3.822 1.00 0.00 N ATOM 0 H LYS A 96 -2.785 -12.996 0.783 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.811 -15.496 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.628 -14.378 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.205 -15.978 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.604 -16.742 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.275 -15.131 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.799 -14.668 1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.985 -16.394 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.517 -15.317 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.266 -15.418 3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.283 -17.393 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.098 -17.794 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.403 -17.696 3.437 1.00 0.00 H new ATOM 1503 N LYS A 97 -1.810 -13.066 -2.128 1.00 0.00 N ATOM 1504 CA LYS A 97 -1.769 -12.447 -3.448 1.00 0.00 C ATOM 1505 C LYS A 97 -0.343 -12.406 -3.986 1.00 0.00 C ATOM 1506 O LYS A 97 -0.082 -12.826 -5.114 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.344 -11.030 -3.386 1.00 0.00 C ATOM 1508 CG LYS A 97 -3.853 -10.992 -3.215 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.435 -9.673 -3.691 1.00 0.00 C ATOM 1510 CE LYS A 97 -5.942 -9.764 -3.879 1.00 0.00 C ATOM 1511 NZ LYS A 97 -6.523 -8.471 -4.335 1.00 0.00 N ATOM 0 H LYS A 97 -1.206 -12.622 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.375 -13.050 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.879 -10.495 -2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.077 -10.498 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.304 -11.812 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.105 -11.144 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.204 -8.890 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.967 -9.386 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.171 -10.542 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.408 -10.060 -2.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.551 -8.574 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.327 -7.734 -3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.097 -8.201 -5.244 1.00 0.00 H new ATOM 1525 N VAL A 98 0.578 -11.899 -3.172 1.00 0.00 N ATOM 1526 CA VAL A 98 1.978 -11.806 -3.566 1.00 0.00 C ATOM 1527 C VAL A 98 2.532 -13.172 -3.954 1.00 0.00 C ATOM 1528 O VAL A 98 3.486 -13.270 -4.726 1.00 0.00 O ATOM 1529 CB VAL A 98 2.841 -11.216 -2.435 1.00 0.00 C ATOM 1530 CG1 VAL A 98 2.796 -12.112 -1.206 1.00 0.00 C ATOM 1531 CG2 VAL A 98 4.274 -11.017 -2.907 1.00 0.00 C ATOM 0 H VAL A 98 0.379 -11.547 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 98 2.020 -11.142 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 98 2.434 -10.243 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.412 -11.679 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.767 -12.199 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.177 -13.101 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.870 -10.599 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.694 -11.976 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.286 -10.332 -3.755 1.00 0.00 H new