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 169:sc= 0 (180deg=-0.0913) USER MOD Single : A 40 ASN : amide:sc=-0.00969 K(o=-0.0097,f=-1.6!) USER MOD Single : A 41 SER OG : rot 86:sc= 0.497 USER MOD Single : A 45 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.68) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 79:sc= 0.106 USER MOD Single : A 57 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.2!) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0111 (180deg=-0.139) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= -0.0843 (180deg=-0.582) USER MOD Single : A 66 THR OG1 : rot 119:sc= -0.079 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 30:sc= -0.302 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 149:sc= -3.27! (180deg=-4.43) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.683 X(o=-0.68,f=-0.99) 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= 0 X(o=0,f=0) 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 15.843 0.658 7.221 1.00 0.00 N ATOM 525 CA GLU A 37 15.027 1.665 7.889 1.00 0.00 C ATOM 526 C GLU A 37 13.852 2.084 7.010 1.00 0.00 C ATOM 527 O GLU A 37 12.722 2.203 7.481 1.00 0.00 O ATOM 528 CB GLU A 37 15.875 2.888 8.243 1.00 0.00 C ATOM 529 CG GLU A 37 16.898 2.624 9.335 1.00 0.00 C ATOM 530 CD GLU A 37 16.317 2.777 10.728 1.00 0.00 C ATOM 531 OE1 GLU A 37 15.787 3.866 11.033 1.00 0.00 O ATOM 532 OE2 GLU A 37 16.392 1.809 11.512 1.00 0.00 O ATOM 0 HA GLU A 37 14.634 1.227 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.393 3.232 7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.217 3.696 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.295 1.615 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.735 3.312 9.217 1.00 0.00 H new ATOM 539 N MET A 38 14.130 2.307 5.729 1.00 0.00 N ATOM 540 CA MET A 38 13.096 2.713 4.783 1.00 0.00 C ATOM 541 C MET A 38 12.095 1.585 4.556 1.00 0.00 C ATOM 542 O MET A 38 10.901 1.829 4.377 1.00 0.00 O ATOM 543 CB MET A 38 13.727 3.126 3.452 1.00 0.00 C ATOM 544 CG MET A 38 14.472 1.999 2.756 1.00 0.00 C ATOM 545 SD MET A 38 14.646 2.272 0.983 1.00 0.00 S ATOM 546 CE MET A 38 15.510 3.841 0.965 1.00 0.00 C ATOM 0 H MET A 38 15.061 2.214 5.323 1.00 0.00 H new ATOM 0 HA MET A 38 12.566 3.566 5.206 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.946 3.498 2.789 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.416 3.952 3.627 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.461 1.893 3.202 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.944 1.061 2.925 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.863 4.051 -0.045 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.833 4.633 1.285 1.00 0.00 H new ATOM 0 HE3 MET A 38 16.361 3.795 1.644 1.00 0.00 H new ATOM 556 N ARG A 39 12.588 0.351 4.565 1.00 0.00 N ATOM 557 CA ARG A 39 11.735 -0.814 4.358 1.00 0.00 C ATOM 558 C ARG A 39 10.875 -1.083 5.589 1.00 0.00 C ATOM 559 O ARG A 39 9.750 -1.568 5.478 1.00 0.00 O ATOM 560 CB ARG A 39 12.586 -2.044 4.038 1.00 0.00 C ATOM 561 CG ARG A 39 13.178 -2.713 5.269 1.00 0.00 C ATOM 562 CD ARG A 39 14.031 -3.914 4.894 1.00 0.00 C ATOM 563 NE ARG A 39 13.228 -5.009 4.357 1.00 0.00 N ATOM 564 CZ ARG A 39 12.899 -5.119 3.074 1.00 0.00 C ATOM 565 NH1 ARG A 39 13.303 -4.206 2.203 1.00 0.00 N ATOM 566 NH2 ARG A 39 12.166 -6.145 2.662 1.00 0.00 N ATOM 0 H ARG A 39 13.573 0.132 4.713 1.00 0.00 H new ATOM 0 HA ARG A 39 11.076 -0.607 3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.974 -2.768 3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.396 -1.751 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.783 -1.993 5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.375 -3.029 5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.775 -3.614 4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.575 -4.261 5.772 1.00 0.00 H new ATOM 0 HE ARG A 39 12.902 -5.729 5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.868 -3.417 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.049 -4.293 1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.855 -6.850 3.330 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.914 -6.229 1.677 1.00 0.00 H new ATOM 580 N ASN A 40 11.413 -0.765 6.762 1.00 0.00 N ATOM 581 CA ASN A 40 10.695 -0.974 8.014 1.00 0.00 C ATOM 582 C ASN A 40 9.788 0.213 8.326 1.00 0.00 C ATOM 583 O ASN A 40 8.771 0.069 9.003 1.00 0.00 O ATOM 584 CB ASN A 40 11.682 -1.191 9.162 1.00 0.00 C ATOM 585 CG ASN A 40 12.306 -2.573 9.135 1.00 0.00 C ATOM 586 OD1 ASN A 40 11.759 -3.501 8.539 1.00 0.00 O ATOM 587 ND2 ASN A 40 13.456 -2.716 9.783 1.00 0.00 N ATOM 0 H ASN A 40 12.343 -0.362 6.872 1.00 0.00 H new ATOM 0 HA ASN A 40 10.075 -1.864 7.904 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.469 -0.439 9.108 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.168 -1.046 10.112 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.922 -3.623 9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.873 -1.919 10.263 1.00 0.00 H new ATOM 594 N SER A 41 10.165 1.386 7.826 1.00 0.00 N ATOM 595 CA SER A 41 9.388 2.599 8.053 1.00 0.00 C ATOM 596 C SER A 41 8.233 2.698 7.061 1.00 0.00 C ATOM 597 O SER A 41 7.112 3.048 7.430 1.00 0.00 O ATOM 598 CB SER A 41 10.284 3.833 7.935 1.00 0.00 C ATOM 599 OG SER A 41 11.150 3.943 9.051 1.00 0.00 O ATOM 0 H SER A 41 11.003 1.522 7.261 1.00 0.00 H new ATOM 0 HA SER A 41 8.975 2.553 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.872 3.773 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.667 4.728 7.860 1.00 0.00 H new ATOM 0 HG SER A 41 11.960 3.415 8.890 1.00 0.00 H new ATOM 605 N ILE A 42 8.516 2.387 5.801 1.00 0.00 N ATOM 606 CA ILE A 42 7.501 2.440 4.755 1.00 0.00 C ATOM 607 C ILE A 42 6.428 1.380 4.977 1.00 0.00 C ATOM 608 O ILE A 42 5.265 1.573 4.618 1.00 0.00 O ATOM 609 CB ILE A 42 8.121 2.243 3.359 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.974 3.456 2.980 1.00 0.00 C ATOM 611 CG2 ILE A 42 7.030 2.012 2.324 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.114 3.123 2.043 1.00 0.00 C ATOM 0 H ILE A 42 9.439 2.096 5.479 1.00 0.00 H new ATOM 0 HA ILE A 42 7.047 3.430 4.805 1.00 0.00 H new ATOM 0 HB ILE A 42 8.764 1.364 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.337 4.206 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.379 3.903 3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.483 1.874 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.460 1.121 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.364 2.875 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.676 4.029 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.774 2.396 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.715 2.704 1.119 1.00 0.00 H new ATOM 624 N LEU A 43 6.824 0.260 5.572 1.00 0.00 N ATOM 625 CA LEU A 43 5.896 -0.831 5.844 1.00 0.00 C ATOM 626 C LEU A 43 5.094 -0.561 7.113 1.00 0.00 C ATOM 627 O LEU A 43 3.952 -1.000 7.243 1.00 0.00 O ATOM 628 CB LEU A 43 6.656 -2.152 5.979 1.00 0.00 C ATOM 629 CG LEU A 43 7.212 -2.742 4.682 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.061 -3.969 4.975 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.080 -3.091 3.727 1.00 0.00 C ATOM 0 H LEU A 43 7.782 0.084 5.875 1.00 0.00 H new ATOM 0 HA LEU A 43 5.202 -0.902 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.485 -2.002 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.990 -2.886 6.433 1.00 0.00 H new ATOM 0 HG LEU A 43 7.845 -1.993 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.448 -4.375 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.893 -3.690 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.451 -4.723 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.494 -3.509 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.422 -3.823 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.512 -2.191 3.491 1.00 0.00 H new ATOM 643 N ALA A 44 5.700 0.166 8.046 1.00 0.00 N ATOM 644 CA ALA A 44 5.042 0.499 9.303 1.00 0.00 C ATOM 645 C ALA A 44 3.974 1.568 9.097 1.00 0.00 C ATOM 646 O ALA A 44 3.005 1.642 9.852 1.00 0.00 O ATOM 647 CB ALA A 44 6.066 0.964 10.328 1.00 0.00 C ATOM 0 H ALA A 44 6.646 0.536 7.955 1.00 0.00 H new ATOM 0 HA ALA A 44 4.552 -0.400 9.677 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.560 1.209 11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.790 0.169 10.505 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.582 1.847 9.952 1.00 0.00 H new ATOM 653 N GLN A 45 4.158 2.392 8.071 1.00 0.00 N ATOM 654 CA GLN A 45 3.210 3.457 7.768 1.00 0.00 C ATOM 655 C GLN A 45 2.062 2.936 6.908 1.00 0.00 C ATOM 656 O GLN A 45 0.917 3.360 7.061 1.00 0.00 O ATOM 657 CB GLN A 45 3.916 4.610 7.052 1.00 0.00 C ATOM 658 CG GLN A 45 4.505 4.220 5.706 1.00 0.00 C ATOM 659 CD GLN A 45 5.202 5.377 5.016 1.00 0.00 C ATOM 660 OE1 GLN A 45 5.886 6.175 5.657 1.00 0.00 O ATOM 661 NE2 GLN A 45 5.032 5.473 3.703 1.00 0.00 N ATOM 0 H GLN A 45 4.955 2.343 7.436 1.00 0.00 H new ATOM 0 HA GLN A 45 2.799 3.821 8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.207 5.425 6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.713 4.991 7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.215 3.405 5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.711 3.843 5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.456 4.789 3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.477 6.231 3.185 1.00 0.00 H new ATOM 670 N VAL A 46 2.378 2.015 6.004 1.00 0.00 N ATOM 671 CA VAL A 46 1.374 1.436 5.120 1.00 0.00 C ATOM 672 C VAL A 46 0.597 0.327 5.822 1.00 0.00 C ATOM 673 O VAL A 46 -0.508 -0.029 5.411 1.00 0.00 O ATOM 674 CB VAL A 46 2.014 0.867 3.839 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.712 1.969 3.057 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.984 -0.253 4.181 1.00 0.00 C ATOM 0 H VAL A 46 3.322 1.654 5.864 1.00 0.00 H new ATOM 0 HA VAL A 46 0.690 2.240 4.849 1.00 0.00 H new ATOM 0 HB VAL A 46 1.225 0.453 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.158 1.549 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.987 2.734 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.492 2.415 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.427 -0.643 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.771 0.133 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.450 -1.052 4.695 1.00 0.00 H new ATOM 686 N LEU A 47 1.182 -0.215 6.884 1.00 0.00 N ATOM 687 CA LEU A 47 0.545 -1.284 7.646 1.00 0.00 C ATOM 688 C LEU A 47 0.090 -0.782 9.013 1.00 0.00 C ATOM 689 O LEU A 47 0.891 -0.270 9.795 1.00 0.00 O ATOM 690 CB LEU A 47 1.509 -2.460 7.817 1.00 0.00 C ATOM 691 CG LEU A 47 2.021 -3.101 6.526 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.182 -4.038 6.820 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.898 -3.845 5.818 1.00 0.00 C ATOM 0 H LEU A 47 2.096 0.068 7.237 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.332 -1.619 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.368 -2.119 8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.012 -3.229 8.408 1.00 0.00 H new ATOM 0 HG LEU A 47 2.378 -2.310 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.533 -4.485 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.994 -3.477 7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.852 -4.825 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.281 -4.295 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.511 -4.627 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.097 -3.147 5.573 1.00 0.00 H new ATOM 705 N ASP A 48 -1.199 -0.935 9.294 1.00 0.00 N ATOM 706 CA ASP A 48 -1.760 -0.500 10.568 1.00 0.00 C ATOM 707 C ASP A 48 -1.275 -1.391 11.707 1.00 0.00 C ATOM 708 O ASP A 48 -0.583 -2.382 11.480 1.00 0.00 O ATOM 709 CB ASP A 48 -3.289 -0.515 10.507 1.00 0.00 C ATOM 710 CG ASP A 48 -3.916 0.485 11.459 1.00 0.00 C ATOM 711 OD1 ASP A 48 -4.104 0.138 12.643 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.218 1.614 11.019 1.00 0.00 O ATOM 0 H ASP A 48 -1.875 -1.357 8.657 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.422 0.518 10.758 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.611 -0.295 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.650 -1.515 10.746 1.00 0.00 H new ATOM 717 N GLN A 49 -1.643 -1.029 12.932 1.00 0.00 N ATOM 718 CA GLN A 49 -1.243 -1.794 14.107 1.00 0.00 C ATOM 719 C GLN A 49 -1.750 -3.230 14.020 1.00 0.00 C ATOM 720 O GLN A 49 -0.988 -4.180 14.195 1.00 0.00 O ATOM 721 CB GLN A 49 -1.773 -1.130 15.379 1.00 0.00 C ATOM 722 CG GLN A 49 -1.197 -1.718 16.657 1.00 0.00 C ATOM 723 CD GLN A 49 -1.522 -0.884 17.881 1.00 0.00 C ATOM 724 OE1 GLN A 49 -2.659 -0.448 18.065 1.00 0.00 O ATOM 725 NE2 GLN A 49 -0.523 -0.658 18.726 1.00 0.00 N ATOM 0 H GLN A 49 -2.217 -0.211 13.136 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.154 -1.814 14.143 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.546 -0.064 15.344 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.859 -1.224 15.403 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.586 -2.727 16.796 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.115 -1.804 16.557 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.404 -1.039 18.534 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.682 -0.104 19.567 1.00 0.00 H new ATOM 734 N SER A 50 -3.043 -3.380 13.747 1.00 0.00 N ATOM 735 CA SER A 50 -3.653 -4.700 13.641 1.00 0.00 C ATOM 736 C SER A 50 -2.839 -5.602 12.717 1.00 0.00 C ATOM 737 O SER A 50 -2.411 -6.686 13.111 1.00 0.00 O ATOM 738 CB SER A 50 -5.088 -4.582 13.123 1.00 0.00 C ATOM 739 OG SER A 50 -5.925 -3.955 14.079 1.00 0.00 O ATOM 0 H SER A 50 -3.687 -2.604 13.595 1.00 0.00 H new ATOM 0 HA SER A 50 -3.669 -5.147 14.635 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.097 -4.009 12.196 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.476 -5.573 12.889 1.00 0.00 H new ATOM 0 HG SER A 50 -6.836 -3.890 13.724 1.00 0.00 H new ATOM 745 N ALA A 51 -2.631 -5.144 11.487 1.00 0.00 N ATOM 746 CA ALA A 51 -1.868 -5.907 10.507 1.00 0.00 C ATOM 747 C ALA A 51 -0.454 -6.184 11.008 1.00 0.00 C ATOM 748 O ALA A 51 0.001 -7.328 11.009 1.00 0.00 O ATOM 749 CB ALA A 51 -1.824 -5.166 9.179 1.00 0.00 C ATOM 0 H ALA A 51 -2.980 -4.249 11.146 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.367 -6.865 10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.251 -5.747 8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.839 -5.024 8.808 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.351 -4.194 9.320 1.00 0.00 H new ATOM 755 N ARG A 52 0.235 -5.130 11.432 1.00 0.00 N ATOM 756 CA ARG A 52 1.598 -5.261 11.933 1.00 0.00 C ATOM 757 C ARG A 52 1.773 -6.568 12.700 1.00 0.00 C ATOM 758 O ARG A 52 2.676 -7.352 12.413 1.00 0.00 O ATOM 759 CB ARG A 52 1.948 -4.076 12.835 1.00 0.00 C ATOM 760 CG ARG A 52 2.247 -2.796 12.071 1.00 0.00 C ATOM 761 CD ARG A 52 3.725 -2.683 11.732 1.00 0.00 C ATOM 762 NE ARG A 52 4.563 -2.675 12.928 1.00 0.00 N ATOM 763 CZ ARG A 52 4.774 -1.594 13.671 1.00 0.00 C ATOM 764 NH1 ARG A 52 4.210 -0.440 13.342 1.00 0.00 N ATOM 765 NH2 ARG A 52 5.549 -1.667 14.745 1.00 0.00 N ATOM 0 H ARG A 52 -0.128 -4.177 11.439 1.00 0.00 H new ATOM 0 HA ARG A 52 2.273 -5.270 11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.120 -3.895 13.520 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.814 -4.337 13.443 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.659 -2.773 11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.942 -1.936 12.667 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.015 -3.517 11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.897 -1.770 11.163 1.00 0.00 H new ATOM 0 HE ARG A 52 5.011 -3.547 13.208 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.613 -0.381 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.373 0.389 13.914 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.984 -2.554 15.001 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.710 -0.837 15.315 1.00 0.00 H new ATOM 779 N ALA A 53 0.902 -6.794 13.679 1.00 0.00 N ATOM 780 CA ALA A 53 0.959 -8.006 14.487 1.00 0.00 C ATOM 781 C ALA A 53 0.830 -9.252 13.617 1.00 0.00 C ATOM 782 O ALA A 53 1.594 -10.206 13.766 1.00 0.00 O ATOM 783 CB ALA A 53 -0.132 -7.985 15.547 1.00 0.00 C ATOM 0 H ALA A 53 0.149 -6.154 13.931 1.00 0.00 H new ATOM 0 HA ALA A 53 1.930 -8.039 14.981 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.078 -8.896 16.143 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.006 -7.119 16.194 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.107 -7.925 15.064 1.00 0.00 H new ATOM 789 N ARG A 54 -0.141 -9.237 12.710 1.00 0.00 N ATOM 790 CA ARG A 54 -0.371 -10.367 11.818 1.00 0.00 C ATOM 791 C ARG A 54 0.865 -10.650 10.969 1.00 0.00 C ATOM 792 O ARG A 54 1.352 -11.780 10.919 1.00 0.00 O ATOM 793 CB ARG A 54 -1.573 -10.093 10.913 1.00 0.00 C ATOM 794 CG ARG A 54 -1.940 -11.265 10.016 1.00 0.00 C ATOM 795 CD ARG A 54 -2.650 -12.361 10.795 1.00 0.00 C ATOM 796 NE ARG A 54 -2.798 -13.583 10.009 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.287 -14.717 10.498 1.00 0.00 C ATOM 798 NH1 ARG A 54 -3.672 -14.785 11.764 1.00 0.00 N ATOM 799 NH2 ARG A 54 -3.391 -15.787 9.719 1.00 0.00 N ATOM 0 H ARG A 54 -0.781 -8.455 12.573 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.579 -11.245 12.430 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.433 -9.837 11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.358 -9.224 10.291 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.582 -10.918 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.038 -11.669 9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.090 -12.580 11.704 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.634 -12.007 11.104 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.510 -13.565 9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.593 -13.965 12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.047 -15.657 12.137 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.095 -15.739 8.744 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.767 -16.657 10.095 1.00 0.00 H new ATOM 813 N LEU A 55 1.368 -9.616 10.303 1.00 0.00 N ATOM 814 CA LEU A 55 2.547 -9.753 9.456 1.00 0.00 C ATOM 815 C LEU A 55 3.695 -10.405 10.220 1.00 0.00 C ATOM 816 O LEU A 55 4.314 -11.354 9.739 1.00 0.00 O ATOM 817 CB LEU A 55 2.983 -8.384 8.929 1.00 0.00 C ATOM 818 CG LEU A 55 4.180 -8.381 7.978 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.736 -8.701 6.560 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.894 -7.038 8.025 1.00 0.00 C ATOM 0 H LEU A 55 0.978 -8.674 10.333 1.00 0.00 H new ATOM 0 HA LEU A 55 2.286 -10.394 8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.136 -7.928 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.220 -7.748 9.781 1.00 0.00 H new ATOM 0 HG LEU A 55 4.878 -9.153 8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.602 -8.694 5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.270 -9.686 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.018 -7.952 6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.743 -7.053 7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.204 -6.248 7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.247 -6.849 9.039 1.00 0.00 H new ATOM 832 N SER A 56 3.971 -9.891 11.414 1.00 0.00 N ATOM 833 CA SER A 56 5.046 -10.422 12.245 1.00 0.00 C ATOM 834 C SER A 56 4.845 -11.912 12.506 1.00 0.00 C ATOM 835 O SER A 56 5.762 -12.712 12.331 1.00 0.00 O ATOM 836 CB SER A 56 5.114 -9.665 13.573 1.00 0.00 C ATOM 837 OG SER A 56 5.521 -8.322 13.375 1.00 0.00 O ATOM 0 H SER A 56 3.466 -9.108 11.828 1.00 0.00 H new ATOM 0 HA SER A 56 5.986 -10.288 11.710 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.137 -9.685 14.057 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.812 -10.165 14.244 1.00 0.00 H new ATOM 0 HG SER A 56 4.760 -7.793 13.055 1.00 0.00 H new ATOM 843 N ASN A 57 3.637 -12.275 12.925 1.00 0.00 N ATOM 844 CA ASN A 57 3.315 -13.668 13.210 1.00 0.00 C ATOM 845 C ASN A 57 3.714 -14.569 12.045 1.00 0.00 C ATOM 846 O ASN A 57 4.065 -15.734 12.239 1.00 0.00 O ATOM 847 CB ASN A 57 1.819 -13.819 13.497 1.00 0.00 C ATOM 848 CG ASN A 57 1.489 -13.626 14.964 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.360 -13.738 15.828 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.226 -13.335 15.254 1.00 0.00 N ATOM 0 H ASN A 57 2.866 -11.624 13.074 1.00 0.00 H new ATOM 0 HA ASN A 57 3.880 -13.972 14.091 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.263 -13.093 12.904 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.489 -14.809 13.180 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.055 -13.195 16.224 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.463 -13.252 14.506 1.00 0.00 H new ATOM 857 N LEU A 58 3.659 -14.022 10.836 1.00 0.00 N ATOM 858 CA LEU A 58 4.015 -14.775 9.639 1.00 0.00 C ATOM 859 C LEU A 58 5.529 -14.914 9.513 1.00 0.00 C ATOM 860 O LEU A 58 6.028 -15.873 8.925 1.00 0.00 O ATOM 861 CB LEU A 58 3.449 -14.090 8.394 1.00 0.00 C ATOM 862 CG LEU A 58 3.342 -14.958 7.140 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.290 -16.039 7.327 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.019 -14.101 5.924 1.00 0.00 C ATOM 0 H LEU A 58 3.371 -13.060 10.659 1.00 0.00 H new ATOM 0 HA LEU A 58 3.583 -15.772 9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.456 -13.709 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.074 -13.228 8.162 1.00 0.00 H new ATOM 0 HG LEU A 58 4.304 -15.442 6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.228 -16.647 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.564 -16.671 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.322 -15.576 7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.947 -14.735 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.070 -13.589 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.809 -13.364 5.778 1.00 0.00 H new ATOM 876 N ALA A 59 6.254 -13.950 10.072 1.00 0.00 N ATOM 877 CA ALA A 59 7.711 -13.967 10.026 1.00 0.00 C ATOM 878 C ALA A 59 8.272 -15.137 10.827 1.00 0.00 C ATOM 879 O ALA A 59 9.477 -15.395 10.808 1.00 0.00 O ATOM 880 CB ALA A 59 8.271 -12.651 10.547 1.00 0.00 C ATOM 0 H ALA A 59 5.856 -13.148 10.561 1.00 0.00 H new ATOM 0 HA ALA A 59 8.016 -14.093 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.360 -12.678 10.507 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.905 -11.830 9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.949 -12.501 11.578 1.00 0.00 H new ATOM 886 N LEU A 60 7.393 -15.842 11.530 1.00 0.00 N ATOM 887 CA LEU A 60 7.801 -16.986 12.338 1.00 0.00 C ATOM 888 C LEU A 60 7.451 -18.297 11.643 1.00 0.00 C ATOM 889 O LEU A 60 8.335 -19.065 11.261 1.00 0.00 O ATOM 890 CB LEU A 60 7.131 -16.929 13.712 1.00 0.00 C ATOM 891 CG LEU A 60 7.375 -15.658 14.527 1.00 0.00 C ATOM 892 CD1 LEU A 60 6.270 -15.461 15.553 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.735 -15.715 15.208 1.00 0.00 C ATOM 0 H LEU A 60 6.393 -15.642 11.557 1.00 0.00 H new ATOM 0 HA LEU A 60 8.883 -16.942 12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.056 -17.048 13.575 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.474 -17.783 14.297 1.00 0.00 H new ATOM 0 HG LEU A 60 7.367 -14.806 13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.461 -14.552 16.123 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.311 -15.375 15.043 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.245 -16.315 16.230 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.892 -14.803 15.784 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.772 -16.576 15.875 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.516 -15.807 14.453 1.00 0.00 H new ATOM 905 N VAL A 61 6.156 -18.547 11.479 1.00 0.00 N ATOM 906 CA VAL A 61 5.689 -19.764 10.826 1.00 0.00 C ATOM 907 C VAL A 61 6.370 -19.960 9.476 1.00 0.00 C ATOM 908 O VAL A 61 6.707 -21.081 9.095 1.00 0.00 O ATOM 909 CB VAL A 61 4.163 -19.740 10.619 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.738 -18.453 9.928 1.00 0.00 C ATOM 911 CG2 VAL A 61 3.714 -20.956 9.823 1.00 0.00 C ATOM 0 H VAL A 61 5.411 -17.923 11.789 1.00 0.00 H new ATOM 0 HA VAL A 61 5.946 -20.594 11.484 1.00 0.00 H new ATOM 0 HB VAL A 61 3.681 -19.776 11.596 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.657 -18.454 9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.025 -17.599 10.541 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.227 -18.383 8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.633 -20.923 9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.203 -20.954 8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.984 -21.864 10.363 1.00 0.00 H new ATOM 921 N LYS A 62 6.571 -18.861 8.757 1.00 0.00 N ATOM 922 CA LYS A 62 7.214 -18.910 7.449 1.00 0.00 C ATOM 923 C LYS A 62 7.528 -17.505 6.944 1.00 0.00 C ATOM 924 O LYS A 62 6.646 -16.766 6.508 1.00 0.00 O ATOM 925 CB LYS A 62 6.318 -19.637 6.444 1.00 0.00 C ATOM 926 CG LYS A 62 4.871 -19.179 6.477 1.00 0.00 C ATOM 927 CD LYS A 62 4.139 -19.549 5.198 1.00 0.00 C ATOM 928 CE LYS A 62 2.648 -19.724 5.439 1.00 0.00 C ATOM 929 NZ LYS A 62 2.351 -20.979 6.186 1.00 0.00 N ATOM 0 H LYS A 62 6.298 -17.925 9.058 1.00 0.00 H new ATOM 0 HA LYS A 62 8.151 -19.457 7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.715 -19.486 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.356 -20.708 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.365 -19.631 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.834 -18.099 6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.299 -18.773 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.554 -20.472 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.268 -18.869 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.125 -19.738 4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.343 -21.213 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.928 -21.755 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.575 -20.845 7.193 1.00 0.00 H new ATOM 943 N PRO A 63 8.813 -17.127 7.002 1.00 0.00 N ATOM 944 CA PRO A 63 9.272 -15.810 6.553 1.00 0.00 C ATOM 945 C PRO A 63 9.193 -15.654 5.038 1.00 0.00 C ATOM 946 O PRO A 63 8.714 -14.639 4.534 1.00 0.00 O ATOM 947 CB PRO A 63 10.729 -15.763 7.020 1.00 0.00 C ATOM 948 CG PRO A 63 11.146 -17.191 7.103 1.00 0.00 C ATOM 949 CD PRO A 63 9.918 -17.958 7.511 1.00 0.00 C ATOM 0 HA PRO A 63 8.656 -15.005 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.352 -15.209 6.318 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.819 -15.267 7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.525 -17.543 6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.947 -17.322 7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.904 -18.957 7.074 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.862 -18.082 8.592 1.00 0.00 H new ATOM 957 N GLU A 64 9.667 -16.666 4.318 1.00 0.00 N ATOM 958 CA GLU A 64 9.649 -16.639 2.860 1.00 0.00 C ATOM 959 C GLU A 64 8.402 -15.927 2.344 1.00 0.00 C ATOM 960 O GLU A 64 8.471 -15.127 1.410 1.00 0.00 O ATOM 961 CB GLU A 64 9.705 -18.063 2.301 1.00 0.00 C ATOM 962 CG GLU A 64 8.595 -18.963 2.817 1.00 0.00 C ATOM 963 CD GLU A 64 8.849 -20.429 2.524 1.00 0.00 C ATOM 964 OE1 GLU A 64 8.801 -20.814 1.337 1.00 0.00 O ATOM 965 OE2 GLU A 64 9.097 -21.191 3.482 1.00 0.00 O ATOM 0 H GLU A 64 10.068 -17.514 4.720 1.00 0.00 H new ATOM 0 HA GLU A 64 10.527 -16.088 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.650 -18.020 1.213 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.668 -18.506 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.490 -18.824 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.650 -18.664 2.364 1.00 0.00 H new ATOM 972 N LYS A 65 7.262 -16.224 2.958 1.00 0.00 N ATOM 973 CA LYS A 65 5.998 -15.613 2.563 1.00 0.00 C ATOM 974 C LYS A 65 5.987 -14.124 2.892 1.00 0.00 C ATOM 975 O LYS A 65 5.674 -13.291 2.041 1.00 0.00 O ATOM 976 CB LYS A 65 4.830 -16.310 3.264 1.00 0.00 C ATOM 977 CG LYS A 65 3.474 -15.714 2.926 1.00 0.00 C ATOM 978 CD LYS A 65 3.065 -16.033 1.498 1.00 0.00 C ATOM 979 CE LYS A 65 2.367 -17.381 1.407 1.00 0.00 C ATOM 980 NZ LYS A 65 1.079 -17.390 2.155 1.00 0.00 N ATOM 0 H LYS A 65 7.187 -16.884 3.732 1.00 0.00 H new ATOM 0 HA LYS A 65 5.888 -15.729 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.832 -17.365 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.981 -16.259 4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.724 -16.101 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.506 -14.633 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.402 -15.253 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.947 -16.035 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.181 -17.624 0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.022 -18.157 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.442 -18.101 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.258 -17.624 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.636 -16.451 2.094 1.00 0.00 H new ATOM 994 N THR A 66 6.332 -13.794 4.133 1.00 0.00 N ATOM 995 CA THR A 66 6.363 -12.405 4.575 1.00 0.00 C ATOM 996 C THR A 66 7.332 -11.582 3.734 1.00 0.00 C ATOM 997 O THR A 66 7.113 -10.394 3.500 1.00 0.00 O ATOM 998 CB THR A 66 6.766 -12.296 6.057 1.00 0.00 C ATOM 999 OG1 THR A 66 6.169 -13.360 6.807 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.336 -10.957 6.637 1.00 0.00 C ATOM 0 H THR A 66 6.594 -14.470 4.850 1.00 0.00 H new ATOM 0 HA THR A 66 5.354 -12.011 4.451 1.00 0.00 H new ATOM 0 HB THR A 66 7.851 -12.371 6.122 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.872 -13.912 7.208 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.631 -10.903 7.685 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.815 -10.150 6.083 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.253 -10.858 6.560 1.00 0.00 H new ATOM 1008 N LYS A 67 8.405 -12.222 3.281 1.00 0.00 N ATOM 1009 CA LYS A 67 9.409 -11.550 2.464 1.00 0.00 C ATOM 1010 C LYS A 67 8.773 -10.922 1.228 1.00 0.00 C ATOM 1011 O LYS A 67 9.028 -9.762 0.908 1.00 0.00 O ATOM 1012 CB LYS A 67 10.499 -12.538 2.044 1.00 0.00 C ATOM 1013 CG LYS A 67 11.538 -11.937 1.113 1.00 0.00 C ATOM 1014 CD LYS A 67 12.682 -11.306 1.888 1.00 0.00 C ATOM 1015 CE LYS A 67 13.647 -10.579 0.963 1.00 0.00 C ATOM 1016 NZ LYS A 67 14.893 -10.172 1.670 1.00 0.00 N ATOM 0 H LYS A 67 8.602 -13.206 3.466 1.00 0.00 H new ATOM 0 HA LYS A 67 9.857 -10.757 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.998 -12.916 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.034 -13.392 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.928 -12.712 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.068 -11.185 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.283 -10.606 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.218 -12.078 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.901 -11.225 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.159 -9.696 0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.524 -9.680 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.654 -9.535 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.373 -11.016 2.042 1.00 0.00 H new ATOM 1030 N ALA A 68 7.942 -11.697 0.537 1.00 0.00 N ATOM 1031 CA ALA A 68 7.267 -11.215 -0.661 1.00 0.00 C ATOM 1032 C ALA A 68 6.439 -9.970 -0.362 1.00 0.00 C ATOM 1033 O ALA A 68 6.635 -8.921 -0.975 1.00 0.00 O ATOM 1034 CB ALA A 68 6.386 -12.310 -1.246 1.00 0.00 C ATOM 0 H ALA A 68 7.721 -12.661 0.787 1.00 0.00 H new ATOM 0 HA ALA A 68 8.028 -10.945 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.887 -11.937 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.001 -13.172 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.638 -12.607 -0.511 1.00 0.00 H new ATOM 1040 N VAL A 69 5.513 -10.094 0.583 1.00 0.00 N ATOM 1041 CA VAL A 69 4.655 -8.978 0.963 1.00 0.00 C ATOM 1042 C VAL A 69 5.478 -7.732 1.270 1.00 0.00 C ATOM 1043 O VAL A 69 5.378 -6.723 0.572 1.00 0.00 O ATOM 1044 CB VAL A 69 3.794 -9.326 2.192 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.800 -8.211 2.480 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.076 -10.650 1.981 1.00 0.00 C ATOM 0 H VAL A 69 5.338 -10.956 1.100 1.00 0.00 H new ATOM 0 HA VAL A 69 4.001 -8.778 0.114 1.00 0.00 H new ATOM 0 HB VAL A 69 4.450 -9.428 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.200 -8.474 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.339 -7.285 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.147 -8.074 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.472 -10.880 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.431 -10.578 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.810 -11.441 1.827 1.00 0.00 H new ATOM 1056 N GLU A 70 6.293 -7.810 2.318 1.00 0.00 N ATOM 1057 CA GLU A 70 7.133 -6.687 2.716 1.00 0.00 C ATOM 1058 C GLU A 70 7.614 -5.907 1.496 1.00 0.00 C ATOM 1059 O GLU A 70 7.682 -4.679 1.518 1.00 0.00 O ATOM 1060 CB GLU A 70 8.334 -7.182 3.525 1.00 0.00 C ATOM 1061 CG GLU A 70 7.957 -7.793 4.864 1.00 0.00 C ATOM 1062 CD GLU A 70 9.129 -8.471 5.547 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.418 -9.638 5.207 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.756 -7.836 6.420 1.00 0.00 O ATOM 0 H GLU A 70 6.389 -8.638 2.906 1.00 0.00 H new ATOM 0 HA GLU A 70 6.534 -6.021 3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.877 -7.923 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.015 -6.348 3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.562 -7.014 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.158 -8.519 4.716 1.00 0.00 H new ATOM 1071 N ASN A 71 7.947 -6.631 0.432 1.00 0.00 N ATOM 1072 CA ASN A 71 8.423 -6.008 -0.798 1.00 0.00 C ATOM 1073 C ASN A 71 7.254 -5.510 -1.642 1.00 0.00 C ATOM 1074 O ASN A 71 7.309 -4.422 -2.217 1.00 0.00 O ATOM 1075 CB ASN A 71 9.264 -6.999 -1.604 1.00 0.00 C ATOM 1076 CG ASN A 71 9.857 -6.374 -2.852 1.00 0.00 C ATOM 1077 OD1 ASN A 71 10.243 -5.205 -2.850 1.00 0.00 O ATOM 1078 ND2 ASN A 71 9.932 -7.152 -3.925 1.00 0.00 N ATOM 0 H ASN A 71 7.896 -7.649 0.397 1.00 0.00 H new ATOM 0 HA ASN A 71 9.043 -5.153 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.068 -7.383 -0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.645 -7.851 -1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.322 -6.786 -4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.600 -8.115 -3.881 1.00 0.00 H new ATOM 1085 N TYR A 72 6.198 -6.312 -1.713 1.00 0.00 N ATOM 1086 CA TYR A 72 5.017 -5.954 -2.489 1.00 0.00 C ATOM 1087 C TYR A 72 4.432 -4.629 -2.011 1.00 0.00 C ATOM 1088 O TYR A 72 4.052 -3.778 -2.816 1.00 0.00 O ATOM 1089 CB TYR A 72 3.961 -7.056 -2.387 1.00 0.00 C ATOM 1090 CG TYR A 72 2.669 -6.725 -3.100 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.646 -6.506 -4.472 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.472 -6.633 -2.402 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.469 -6.203 -5.127 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.289 -6.331 -3.049 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.293 -6.117 -4.412 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.883 -5.816 -5.061 1.00 0.00 O ATOM 0 H TYR A 72 6.136 -7.215 -1.242 1.00 0.00 H new ATOM 0 HA TYR A 72 5.318 -5.843 -3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.369 -7.978 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.747 -7.246 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.565 -6.574 -5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.466 -6.800 -1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.469 -6.034 -6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.633 -6.263 -2.491 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.844 -6.151 -5.981 1.00 0.00 H new ATOM 1106 N LEU A 73 4.363 -4.460 -0.695 1.00 0.00 N ATOM 1107 CA LEU A 73 3.826 -3.238 -0.107 1.00 0.00 C ATOM 1108 C LEU A 73 4.675 -2.030 -0.490 1.00 0.00 C ATOM 1109 O LEU A 73 4.186 -1.089 -1.114 1.00 0.00 O ATOM 1110 CB LEU A 73 3.760 -3.368 1.416 1.00 0.00 C ATOM 1111 CG LEU A 73 2.763 -4.391 1.961 1.00 0.00 C ATOM 1112 CD1 LEU A 73 3.154 -4.821 3.366 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.353 -3.820 1.948 1.00 0.00 C ATOM 0 H LEU A 73 4.672 -5.154 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 73 2.819 -3.089 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.753 -3.629 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.513 -2.392 1.833 1.00 0.00 H new ATOM 0 HG LEU A 73 2.783 -5.270 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.433 -5.549 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.147 -5.271 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.163 -3.952 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.657 -4.562 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.317 -2.925 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.074 -3.564 0.926 1.00 0.00 H new ATOM 1125 N ILE A 74 5.949 -2.066 -0.114 1.00 0.00 N ATOM 1126 CA ILE A 74 6.866 -0.976 -0.421 1.00 0.00 C ATOM 1127 C ILE A 74 6.578 -0.387 -1.798 1.00 0.00 C ATOM 1128 O ILE A 74 6.431 0.826 -1.945 1.00 0.00 O ATOM 1129 CB ILE A 74 8.333 -1.443 -0.371 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.755 -1.716 1.074 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.242 -0.403 -1.007 1.00 0.00 C ATOM 1132 CD1 ILE A 74 10.160 -2.263 1.199 1.00 0.00 C ATOM 0 H ILE A 74 6.369 -2.838 0.403 1.00 0.00 H new ATOM 0 HA ILE A 74 6.711 -0.210 0.339 1.00 0.00 H new ATOM 0 HB ILE A 74 8.423 -2.370 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.681 -0.791 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.057 -2.424 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.275 -0.748 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.952 -0.254 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.151 0.539 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.392 -2.433 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 74 10.234 -3.204 0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.868 -1.546 0.782 1.00 0.00 H new ATOM 1144 N GLN A 75 6.498 -1.254 -2.801 1.00 0.00 N ATOM 1145 CA GLN A 75 6.227 -0.819 -4.166 1.00 0.00 C ATOM 1146 C GLN A 75 4.939 -0.004 -4.232 1.00 0.00 C ATOM 1147 O GLN A 75 4.901 1.066 -4.839 1.00 0.00 O ATOM 1148 CB GLN A 75 6.127 -2.028 -5.099 1.00 0.00 C ATOM 1149 CG GLN A 75 7.460 -2.716 -5.346 1.00 0.00 C ATOM 1150 CD GLN A 75 7.447 -3.582 -6.590 1.00 0.00 C ATOM 1151 OE1 GLN A 75 7.862 -3.150 -7.666 1.00 0.00 O ATOM 1152 NE2 GLN A 75 6.969 -4.813 -6.450 1.00 0.00 N ATOM 0 H GLN A 75 6.617 -2.261 -2.695 1.00 0.00 H new ATOM 0 HA GLN A 75 7.053 -0.186 -4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.429 -2.749 -4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.711 -1.707 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.242 -1.962 -5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.713 -3.331 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.635 -5.130 -5.540 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.935 -5.441 -7.253 1.00 0.00 H new ATOM 1161 N MET A 76 3.887 -0.518 -3.603 1.00 0.00 N ATOM 1162 CA MET A 76 2.598 0.164 -3.590 1.00 0.00 C ATOM 1163 C MET A 76 2.709 1.525 -2.910 1.00 0.00 C ATOM 1164 O MET A 76 1.984 2.460 -3.249 1.00 0.00 O ATOM 1165 CB MET A 76 1.551 -0.693 -2.875 1.00 0.00 C ATOM 1166 CG MET A 76 1.265 -2.012 -3.575 1.00 0.00 C ATOM 1167 SD MET A 76 -0.330 -2.713 -3.109 1.00 0.00 S ATOM 1168 CE MET A 76 -0.232 -2.620 -1.323 1.00 0.00 C ATOM 0 H MET A 76 3.902 -1.403 -3.096 1.00 0.00 H new ATOM 0 HA MET A 76 2.287 0.319 -4.623 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.891 -0.896 -1.860 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.624 -0.126 -2.793 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.289 -1.859 -4.654 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.055 -2.724 -3.336 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.231 -2.476 -0.911 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.191 -3.546 -0.933 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.403 -1.782 -1.037 1.00 0.00 H new ATOM 1178 N ALA A 77 3.621 1.628 -1.948 1.00 0.00 N ATOM 1179 CA ALA A 77 3.827 2.874 -1.222 1.00 0.00 C ATOM 1180 C ALA A 77 4.507 3.917 -2.103 1.00 0.00 C ATOM 1181 O ALA A 77 3.981 5.012 -2.303 1.00 0.00 O ATOM 1182 CB ALA A 77 4.650 2.624 0.033 1.00 0.00 C ATOM 0 H ALA A 77 4.228 0.863 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 77 2.851 3.262 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.796 3.564 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.125 1.919 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.619 2.210 -0.244 1.00 0.00 H new ATOM 1188 N ARG A 78 5.678 3.570 -2.627 1.00 0.00 N ATOM 1189 CA ARG A 78 6.430 4.477 -3.485 1.00 0.00 C ATOM 1190 C ARG A 78 5.509 5.164 -4.489 1.00 0.00 C ATOM 1191 O ARG A 78 5.553 6.383 -4.654 1.00 0.00 O ATOM 1192 CB ARG A 78 7.532 3.717 -4.225 1.00 0.00 C ATOM 1193 CG ARG A 78 8.718 3.355 -3.346 1.00 0.00 C ATOM 1194 CD ARG A 78 9.725 2.496 -4.095 1.00 0.00 C ATOM 1195 NE ARG A 78 9.436 1.070 -3.960 1.00 0.00 N ATOM 1196 CZ ARG A 78 10.323 0.114 -4.210 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.549 0.428 -4.605 1.00 0.00 N ATOM 1198 NH2 ARG A 78 9.984 -1.161 -4.064 1.00 0.00 N ATOM 0 H ARG A 78 6.126 2.667 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 78 6.885 5.240 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.112 2.804 -4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.882 4.323 -5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.204 4.266 -2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.368 2.821 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.720 2.769 -5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.727 2.700 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 78 8.502 0.794 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.814 1.407 -4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.228 -0.309 -4.796 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.042 -1.407 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.666 -1.895 -4.256 1.00 0.00 H new ATOM 1212 N TYR A 79 4.677 4.374 -5.158 1.00 0.00 N ATOM 1213 CA TYR A 79 3.748 4.905 -6.148 1.00 0.00 C ATOM 1214 C TYR A 79 2.548 5.562 -5.471 1.00 0.00 C ATOM 1215 O TYR A 79 1.813 6.328 -6.093 1.00 0.00 O ATOM 1216 CB TYR A 79 3.274 3.792 -7.083 1.00 0.00 C ATOM 1217 CG TYR A 79 4.320 3.356 -8.084 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.354 2.506 -7.713 1.00 0.00 C ATOM 1219 CD2 TYR A 79 4.273 3.794 -9.402 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.312 2.107 -8.625 1.00 0.00 C ATOM 1221 CE2 TYR A 79 5.226 3.399 -10.321 1.00 0.00 C ATOM 1222 CZ TYR A 79 6.244 2.555 -9.927 1.00 0.00 C ATOM 1223 OH TYR A 79 7.195 2.158 -10.839 1.00 0.00 O ATOM 0 H TYR A 79 4.627 3.363 -5.033 1.00 0.00 H new ATOM 0 HA TYR A 79 4.272 5.661 -6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.973 2.931 -6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.389 4.133 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.410 2.151 -6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.478 4.455 -9.713 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.110 1.447 -8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.174 3.749 -11.342 1.00 0.00 H new ATOM 0 HH TYR A 79 7.001 2.562 -11.711 1.00 0.00 H new ATOM 1233 N GLY A 80 2.357 5.255 -4.192 1.00 0.00 N ATOM 1234 CA GLY A 80 1.246 5.822 -3.451 1.00 0.00 C ATOM 1235 C GLY A 80 -0.093 5.274 -3.903 1.00 0.00 C ATOM 1236 O GLY A 80 -1.116 5.949 -3.792 1.00 0.00 O ATOM 0 H GLY A 80 2.952 4.624 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.379 5.616 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.250 6.906 -3.569 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.086 4.048 -4.415 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.310 3.411 -4.887 1.00 0.00 C ATOM 1242 C GLN A 81 -2.128 2.869 -3.719 1.00 0.00 C ATOM 1243 O GLN A 81 -3.304 2.539 -3.872 1.00 0.00 O ATOM 1244 CB GLN A 81 -0.978 2.279 -5.861 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.016 1.249 -5.291 1.00 0.00 C ATOM 1246 CD GLN A 81 -0.176 -0.116 -5.931 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -1.093 -0.867 -5.598 1.00 0.00 O ATOM 1248 NE2 GLN A 81 0.719 -0.445 -6.856 1.00 0.00 N ATOM 0 H GLN A 81 0.753 3.476 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.905 4.164 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.902 1.779 -6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.546 2.705 -6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.008 1.595 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.176 1.163 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.463 0.208 -7.101 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.662 -1.351 -7.321 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.497 2.780 -2.553 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.166 2.278 -1.358 1.00 0.00 C ATOM 1259 C LEU A 82 -3.321 3.190 -0.956 1.00 0.00 C ATOM 1260 O LEU A 82 -3.129 4.382 -0.718 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.170 2.158 -0.204 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.429 0.825 -0.092 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.954 1.032 0.508 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.231 -0.163 0.741 1.00 0.00 C ATOM 0 H LEU A 82 -0.524 3.049 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.569 1.291 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.432 2.954 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.704 2.333 0.730 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.310 0.412 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.467 0.073 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.530 1.704 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.858 1.468 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.688 -1.106 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.382 0.243 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.199 -0.335 0.270 1.00 0.00 H new ATOM 1276 N SER A 83 -4.519 2.621 -0.880 1.00 0.00 N ATOM 1277 CA SER A 83 -5.705 3.383 -0.508 1.00 0.00 C ATOM 1278 C SER A 83 -5.556 3.971 0.892 1.00 0.00 C ATOM 1279 O SER A 83 -5.635 5.185 1.078 1.00 0.00 O ATOM 1280 CB SER A 83 -6.949 2.494 -0.571 1.00 0.00 C ATOM 1281 OG SER A 83 -8.133 3.267 -0.471 1.00 0.00 O ATOM 0 H SER A 83 -4.694 1.635 -1.071 1.00 0.00 H new ATOM 0 HA SER A 83 -5.817 4.203 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.954 1.935 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.919 1.763 0.237 1.00 0.00 H new ATOM 0 HG SER A 83 -8.914 2.677 -0.516 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.340 3.100 1.873 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.181 3.532 3.256 1.00 0.00 C ATOM 1289 C GLU A 84 -4.521 2.441 4.095 1.00 0.00 C ATOM 1290 O GLU A 84 -4.337 1.314 3.635 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.539 3.902 3.858 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.466 2.713 4.045 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.817 3.109 4.608 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.566 3.821 3.906 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -9.125 2.709 5.750 1.00 0.00 O ATOM 0 H GLU A 84 -5.271 2.092 1.735 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.537 4.411 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.380 4.383 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.026 4.634 3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.608 2.214 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.995 1.992 4.713 1.00 0.00 H new ATOM 1302 N LYS A 85 -4.167 2.785 5.328 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.528 1.837 6.233 1.00 0.00 C ATOM 1304 C LYS A 85 -4.166 0.456 6.114 1.00 0.00 C ATOM 1305 O LYS A 85 -5.350 0.282 6.401 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.627 2.333 7.678 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.761 3.547 7.964 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.711 3.859 9.451 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.895 5.111 9.731 1.00 0.00 C ATOM 1310 NZ LYS A 85 -2.017 5.547 11.149 1.00 0.00 N ATOM 0 H LYS A 85 -4.312 3.714 5.724 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.477 1.758 5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.666 2.578 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.340 1.525 8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.751 3.370 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.152 4.409 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.724 3.992 9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.278 3.014 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.847 4.921 9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.227 5.915 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.446 6.403 11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.013 5.753 11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.677 4.790 11.776 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.373 -0.523 5.690 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.860 -1.888 5.535 1.00 0.00 C ATOM 1326 C VAL A 86 -4.111 -2.539 6.891 1.00 0.00 C ATOM 1327 O VAL A 86 -3.231 -2.565 7.751 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.863 -2.753 4.740 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.374 -4.181 4.618 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.612 -2.148 3.367 1.00 0.00 C ATOM 0 H VAL A 86 -2.390 -0.396 5.448 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.798 -1.829 4.984 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.917 -2.777 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.657 -4.777 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.499 -4.609 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.333 -4.181 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.906 -2.771 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.551 -2.093 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.199 -1.146 3.481 1.00 0.00 H new ATOM 1340 N SER A 87 -5.318 -3.064 7.074 1.00 0.00 N ATOM 1341 CA SER A 87 -5.687 -3.713 8.327 1.00 0.00 C ATOM 1342 C SER A 87 -5.622 -5.231 8.193 1.00 0.00 C ATOM 1343 O SER A 87 -5.474 -5.761 7.092 1.00 0.00 O ATOM 1344 CB SER A 87 -7.094 -3.287 8.751 1.00 0.00 C ATOM 1345 OG SER A 87 -8.069 -3.773 7.845 1.00 0.00 O ATOM 0 H SER A 87 -6.057 -3.053 6.371 1.00 0.00 H new ATOM 0 HA SER A 87 -4.975 -3.403 9.092 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.305 -3.662 9.752 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.149 -2.199 8.800 1.00 0.00 H new ATOM 0 HG SER A 87 -8.960 -3.489 8.139 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.733 -5.924 9.322 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.685 -7.381 9.331 1.00 0.00 C ATOM 1353 C GLU A 88 -6.365 -7.955 8.091 1.00 0.00 C ATOM 1354 O GLU A 88 -5.729 -8.622 7.275 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.356 -7.928 10.593 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.813 -9.277 11.035 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.769 -10.019 11.949 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.994 -9.930 11.726 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.290 -10.689 12.888 1.00 0.00 O ATOM 0 H GLU A 88 -5.857 -5.500 10.241 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.638 -7.685 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.227 -7.210 11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.428 -8.018 10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.609 -9.888 10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.863 -9.131 11.550 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.661 -7.691 7.958 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.428 -8.182 6.819 1.00 0.00 C ATOM 1368 C GLN A 89 -7.636 -8.032 5.525 1.00 0.00 C ATOM 1369 O GLN A 89 -7.271 -9.021 4.890 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.755 -7.431 6.709 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.697 -7.685 7.875 1.00 0.00 C ATOM 1372 CD GLN A 89 -12.116 -7.237 7.588 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.494 -6.103 7.887 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.911 -8.126 7.004 1.00 0.00 N ATOM 0 H GLN A 89 -8.202 -7.140 8.625 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.631 -9.241 6.979 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.553 -6.362 6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.251 -7.720 5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.697 -8.749 8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.326 -7.162 8.757 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.556 -9.054 6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.877 -7.881 6.786 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.373 -6.787 5.138 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.627 -6.530 3.920 1.00 0.00 C ATOM 1385 C GLY A 90 -5.355 -7.351 3.836 1.00 0.00 C ATOM 1386 O GLY A 90 -5.159 -8.109 2.885 1.00 0.00 O ATOM 0 H GLY A 90 -7.663 -5.952 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.257 -6.752 3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.376 -5.471 3.868 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.489 -7.201 4.831 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.228 -7.933 4.865 1.00 0.00 C ATOM 1392 C LEU A 91 -3.442 -9.402 4.513 1.00 0.00 C ATOM 1393 O LEU A 91 -2.940 -9.887 3.498 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.584 -7.817 6.248 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.147 -8.325 6.364 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.159 -7.200 6.098 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.907 -8.934 7.738 1.00 0.00 C ATOM 0 H LEU A 91 -4.637 -6.579 5.626 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.561 -7.493 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.603 -6.770 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.200 -8.365 6.961 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.994 -9.100 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.858 -7.581 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.315 -6.809 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.311 -6.403 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.121 -9.291 7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.079 -8.179 8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.591 -9.769 7.890 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.191 -10.104 5.357 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.473 -11.516 5.133 1.00 0.00 C ATOM 1411 C ILE A 92 -4.749 -11.795 3.659 1.00 0.00 C ATOM 1412 O ILE A 92 -4.297 -12.800 3.112 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.679 -11.988 5.967 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.402 -11.794 7.459 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -5.993 -13.446 5.666 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.657 -11.655 8.293 1.00 0.00 C ATOM 0 H ILE A 92 -4.613 -9.718 6.202 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.586 -12.068 5.445 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.547 -11.387 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.823 -12.642 7.826 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.786 -10.905 7.593 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.847 -13.765 6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.228 -13.556 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.128 -14.063 5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.385 -11.521 9.340 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.226 -10.790 7.952 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.265 -12.554 8.189 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.492 -10.896 3.021 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.826 -11.045 1.610 1.00 0.00 C ATOM 1430 C GLU A 93 -4.590 -10.859 0.735 1.00 0.00 C ATOM 1431 O GLU A 93 -4.451 -11.501 -0.306 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.904 -10.036 1.209 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.247 -10.282 1.877 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.297 -9.267 1.467 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.101 -8.065 1.744 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.314 -9.675 0.870 1.00 0.00 O ATOM 0 H GLU A 93 -5.874 -10.058 3.459 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.208 -12.054 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.561 -9.032 1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.035 -10.067 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.596 -11.283 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.121 -10.252 2.959 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.695 -9.976 1.166 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.471 -9.705 0.423 1.00 0.00 C ATOM 1445 C ILE A 94 -1.543 -10.916 0.432 1.00 0.00 C ATOM 1446 O ILE A 94 -0.865 -11.200 -0.556 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.718 -8.492 1.000 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.611 -7.250 0.974 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.435 -8.245 0.221 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.914 -5.994 1.448 1.00 0.00 C ATOM 0 H ILE A 94 -3.795 -9.436 2.026 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.767 -9.484 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.455 -8.706 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.972 -7.094 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.486 -7.428 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.086 -7.384 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.206 -9.124 0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.676 -8.049 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.607 -5.154 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.577 -6.131 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.055 -5.791 0.808 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.520 -11.627 1.554 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.677 -12.810 1.692 1.00 0.00 C ATOM 1464 C LEU A 95 -1.164 -13.935 0.784 1.00 0.00 C ATOM 1465 O LEU A 95 -0.470 -14.932 0.585 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.663 -13.284 3.146 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.318 -12.224 4.194 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.730 -12.692 5.581 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.168 -11.902 4.156 1.00 0.00 C ATOM 0 H LEU A 95 -2.075 -11.405 2.381 1.00 0.00 H new ATOM 0 HA LEU A 95 0.336 -12.540 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.645 -13.695 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.054 -14.100 3.234 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.872 -11.315 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.477 -11.926 6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.805 -12.871 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.204 -13.615 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.396 -11.146 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.741 -12.805 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.433 -11.523 3.169 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.361 -13.767 0.232 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.941 -14.765 -0.658 1.00 0.00 C ATOM 1483 C LYS A 96 -2.846 -14.317 -2.113 1.00 0.00 C ATOM 1484 O LYS A 96 -3.026 -15.116 -3.033 1.00 0.00 O ATOM 1485 CB LYS A 96 -4.403 -15.022 -0.287 1.00 0.00 C ATOM 1486 CG LYS A 96 -4.599 -15.445 1.158 1.00 0.00 C ATOM 1487 CD LYS A 96 -6.067 -15.675 1.478 1.00 0.00 C ATOM 1488 CE LYS A 96 -6.333 -15.576 2.972 1.00 0.00 C ATOM 1489 NZ LYS A 96 -7.511 -16.390 3.381 1.00 0.00 N ATOM 0 H LYS A 96 -2.949 -12.948 0.386 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.376 -15.690 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.981 -14.117 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.804 -15.796 -0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.036 -16.359 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.197 -14.678 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.675 -14.941 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.369 -16.658 1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.452 -15.910 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.500 -14.534 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.659 -16.296 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.357 -16.055 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.341 -17.389 3.146 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.560 -13.036 -2.315 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.437 -12.481 -3.658 1.00 0.00 C ATOM 1505 C LYS A 97 -0.972 -12.333 -4.054 1.00 0.00 C ATOM 1506 O LYS A 97 -0.614 -12.494 -5.221 1.00 0.00 O ATOM 1507 CB LYS A 97 -3.138 -11.123 -3.738 1.00 0.00 C ATOM 1508 CG LYS A 97 -2.264 -9.961 -3.297 1.00 0.00 C ATOM 1509 CD LYS A 97 -3.068 -8.679 -3.161 1.00 0.00 C ATOM 1510 CE LYS A 97 -3.391 -8.076 -4.520 1.00 0.00 C ATOM 1511 NZ LYS A 97 -4.541 -7.133 -4.450 1.00 0.00 N ATOM 0 H LYS A 97 -2.409 -12.361 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.915 -13.171 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.465 -10.952 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.034 -11.149 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.794 -10.200 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.461 -9.813 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.994 -8.884 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.507 -7.958 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.515 -7.552 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.619 -8.874 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.729 -6.744 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.384 -7.638 -4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.314 -6.357 -3.795 1.00 0.00 H new ATOM 1525 N VAL A 98 -0.127 -12.025 -3.075 1.00 0.00 N ATOM 1526 CA VAL A 98 1.300 -11.858 -3.321 1.00 0.00 C ATOM 1527 C VAL A 98 2.000 -13.207 -3.437 1.00 0.00 C ATOM 1528 O VAL A 98 3.037 -13.326 -4.088 1.00 0.00 O ATOM 1529 CB VAL A 98 1.970 -11.039 -2.201 1.00 0.00 C ATOM 1530 CG1 VAL A 98 1.889 -11.781 -0.876 1.00 0.00 C ATOM 1531 CG2 VAL A 98 3.415 -10.729 -2.560 1.00 0.00 C ATOM 0 H VAL A 98 -0.406 -11.886 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 98 1.398 -11.320 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 98 1.435 -10.095 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.367 -11.188 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.844 -11.947 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.398 -12.741 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.873 -10.150 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.964 -11.661 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.445 -10.154 -3.485 1.00 0.00 H new