USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 ASN : amide:sc= 0.442 K(o=1,f=0.19) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -117:sc= 0.581 (180deg=0.549) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.55 K(o=1.5,f=-12!) USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.595) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -39:sc=0.000115 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.142 K(o=0.14,f=-7.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -14:sc= 0.467 USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.2) USER MOD Single : A 65 ASN : amide:sc= 0.475 X(o=0.48,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000527) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 84 THR OG1 : rot 34:sc= 0.367 USER MOD Single : A 86 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -169:sc= 0 (180deg=-0.233) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.841 -5.949 3.098 1.00 0.00 N ATOM 624 CA LEU A 35 -8.700 -5.759 1.656 1.00 0.00 C ATOM 625 C LEU A 35 -9.672 -6.670 0.894 1.00 0.00 C ATOM 626 O LEU A 35 -9.713 -7.885 1.100 1.00 0.00 O ATOM 627 CB LEU A 35 -7.254 -5.993 1.175 1.00 0.00 C ATOM 628 CG LEU A 35 -6.270 -4.850 1.500 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.468 -5.103 2.777 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.277 -4.689 0.348 1.00 0.00 C ATOM 0 HA LEU A 35 -8.947 -4.719 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.881 -6.913 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.266 -6.147 0.096 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.871 -3.952 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.793 -4.266 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.150 -5.204 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.888 -6.019 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.582 -3.882 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.723 -5.618 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.818 -4.453 -0.568 1.00 0.00 H new ATOM 642 N SER A 36 -10.407 -6.058 -0.028 1.00 0.00 N ATOM 643 CA SER A 36 -11.479 -6.664 -0.829 1.00 0.00 C ATOM 644 C SER A 36 -11.166 -6.673 -2.315 1.00 0.00 C ATOM 645 O SER A 36 -10.901 -7.732 -2.885 1.00 0.00 O ATOM 646 CB SER A 36 -12.843 -6.022 -0.525 1.00 0.00 C ATOM 647 OG SER A 36 -13.157 -6.149 0.855 1.00 0.00 O ATOM 0 H SER A 36 -10.268 -5.073 -0.253 1.00 0.00 H new ATOM 0 HA SER A 36 -11.541 -7.710 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.826 -4.969 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.618 -6.499 -1.126 1.00 0.00 H new ATOM 0 HG SER A 36 -14.027 -5.734 1.032 1.00 0.00 H new ATOM 653 N GLU A 37 -11.171 -5.506 -2.949 1.00 0.00 N ATOM 654 CA GLU A 37 -11.062 -5.385 -4.408 1.00 0.00 C ATOM 655 C GLU A 37 -10.650 -3.978 -4.852 1.00 0.00 C ATOM 656 O GLU A 37 -9.761 -3.820 -5.684 1.00 0.00 O ATOM 657 CB GLU A 37 -12.404 -5.835 -5.020 1.00 0.00 C ATOM 658 CG GLU A 37 -13.571 -4.855 -4.868 1.00 0.00 C ATOM 659 CD GLU A 37 -14.896 -5.497 -5.326 1.00 0.00 C ATOM 660 OE1 GLU A 37 -15.204 -5.463 -6.543 1.00 0.00 O ATOM 661 OE2 GLU A 37 -15.643 -6.034 -4.472 1.00 0.00 O ATOM 0 H GLU A 37 -11.251 -4.610 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.262 -6.030 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.251 -6.025 -6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.689 -6.783 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.655 -4.543 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.376 -3.958 -5.455 1.00 0.00 H new ATOM 668 N GLU A 38 -11.211 -2.949 -4.214 1.00 0.00 N ATOM 669 CA GLU A 38 -10.824 -1.550 -4.444 1.00 0.00 C ATOM 670 C GLU A 38 -9.456 -1.253 -3.822 1.00 0.00 C ATOM 671 O GLU A 38 -8.705 -0.418 -4.316 1.00 0.00 O ATOM 672 CB GLU A 38 -11.886 -0.601 -3.867 1.00 0.00 C ATOM 673 CG GLU A 38 -13.216 -0.684 -4.627 1.00 0.00 C ATOM 674 CD GLU A 38 -14.224 0.352 -4.094 1.00 0.00 C ATOM 675 OE1 GLU A 38 -14.287 1.482 -4.640 1.00 0.00 O ATOM 676 OE2 GLU A 38 -14.967 0.044 -3.130 1.00 0.00 O ATOM 0 H GLU A 38 -11.950 -3.060 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.754 -1.389 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.054 -0.843 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.513 0.423 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.043 -0.514 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.633 -1.686 -4.528 1.00 0.00 H new ATOM 683 N GLN A 39 -9.102 -1.988 -2.765 1.00 0.00 N ATOM 684 CA GLN A 39 -7.879 -1.800 -1.989 1.00 0.00 C ATOM 685 C GLN A 39 -6.653 -2.282 -2.778 1.00 0.00 C ATOM 686 O GLN A 39 -5.598 -1.649 -2.748 1.00 0.00 O ATOM 687 CB GLN A 39 -8.030 -2.503 -0.627 1.00 0.00 C ATOM 688 CG GLN A 39 -9.226 -1.991 0.213 1.00 0.00 C ATOM 689 CD GLN A 39 -10.591 -2.528 -0.230 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.707 -3.444 -1.031 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.692 -2.002 0.238 1.00 0.00 N ATOM 0 H GLN A 39 -9.679 -2.754 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.717 -0.739 -1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.147 -3.574 -0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.112 -2.367 -0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.064 -2.263 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.246 -0.902 0.167 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.646 -1.235 0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.598 -2.358 -0.068 1.00 0.00 H new ATOM 700 N LYS A 40 -6.810 -3.336 -3.591 1.00 0.00 N ATOM 701 CA LYS A 40 -5.791 -3.788 -4.558 1.00 0.00 C ATOM 702 C LYS A 40 -5.630 -2.821 -5.721 1.00 0.00 C ATOM 703 O LYS A 40 -4.507 -2.569 -6.154 1.00 0.00 O ATOM 704 CB LYS A 40 -6.162 -5.185 -5.075 1.00 0.00 C ATOM 705 CG LYS A 40 -5.911 -6.232 -3.983 1.00 0.00 C ATOM 706 CD LYS A 40 -6.975 -7.347 -3.942 1.00 0.00 C ATOM 707 CE LYS A 40 -7.488 -7.479 -2.505 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.326 -8.694 -2.315 1.00 0.00 N ATOM 0 H LYS A 40 -7.655 -3.907 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.832 -3.825 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.210 -5.204 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.572 -5.423 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.931 -6.682 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.881 -5.734 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.797 -7.110 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.547 -8.291 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.640 -7.514 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.070 -6.594 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.300 -8.981 -1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.307 -8.486 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.957 -9.466 -2.906 1.00 0.00 H new ATOM 722 N LYS A 41 -6.724 -2.187 -6.145 1.00 0.00 N ATOM 723 CA LYS A 41 -6.684 -1.083 -7.131 1.00 0.00 C ATOM 724 C LYS A 41 -5.964 0.185 -6.629 1.00 0.00 C ATOM 725 O LYS A 41 -5.770 1.121 -7.405 1.00 0.00 O ATOM 726 CB LYS A 41 -8.094 -0.751 -7.655 1.00 0.00 C ATOM 727 CG LYS A 41 -8.738 -1.914 -8.420 1.00 0.00 C ATOM 728 CD LYS A 41 -10.180 -1.566 -8.824 1.00 0.00 C ATOM 729 CE LYS A 41 -10.882 -2.720 -9.556 1.00 0.00 C ATOM 730 NZ LYS A 41 -10.359 -2.920 -10.934 1.00 0.00 N ATOM 0 H LYS A 41 -7.664 -2.416 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.080 -1.454 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.733 -0.478 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.037 0.119 -8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.150 -2.140 -9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.735 -2.810 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.751 -1.305 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.171 -0.685 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.754 -3.640 -8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.952 -2.519 -9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.864 -3.709 -11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.504 -2.053 -11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.343 -3.138 -10.891 1.00 0.00 H new ATOM 744 N ILE A 42 -5.524 0.204 -5.366 1.00 0.00 N ATOM 745 CA ILE A 42 -4.610 1.203 -4.788 1.00 0.00 C ATOM 746 C ILE A 42 -3.226 0.580 -4.554 1.00 0.00 C ATOM 747 O ILE A 42 -2.237 1.097 -5.065 1.00 0.00 O ATOM 748 CB ILE A 42 -5.232 1.789 -3.502 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.539 2.549 -3.841 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.278 2.713 -2.722 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.620 2.285 -2.794 1.00 0.00 C ATOM 0 H ILE A 42 -5.805 -0.505 -4.688 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.466 2.030 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.445 0.941 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.337 3.619 -3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.897 2.241 -4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.782 3.088 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.389 2.154 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.986 3.552 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.525 2.832 -3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.838 1.218 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.269 2.617 -1.817 1.00 0.00 H new ATOM 763 N VAL A 43 -3.142 -0.546 -3.834 1.00 0.00 N ATOM 764 CA VAL A 43 -1.871 -1.183 -3.435 1.00 0.00 C ATOM 765 C VAL A 43 -1.175 -1.866 -4.611 1.00 0.00 C ATOM 766 O VAL A 43 -0.072 -1.480 -4.983 1.00 0.00 O ATOM 767 CB VAL A 43 -2.087 -2.193 -2.290 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.786 -2.917 -1.908 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.637 -1.496 -1.041 1.00 0.00 C ATOM 0 H VAL A 43 -3.965 -1.051 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.221 -0.383 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.806 -2.925 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.984 -3.619 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.404 -3.460 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.045 -2.187 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.781 -2.230 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.931 -0.736 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.592 -1.026 -1.277 1.00 0.00 H new ATOM 779 N ALA A 44 -1.803 -2.883 -5.205 1.00 0.00 N ATOM 780 CA ALA A 44 -1.225 -3.663 -6.300 1.00 0.00 C ATOM 781 C ALA A 44 -1.088 -2.832 -7.586 1.00 0.00 C ATOM 782 O ALA A 44 -0.163 -3.039 -8.373 1.00 0.00 O ATOM 783 CB ALA A 44 -2.091 -4.900 -6.519 1.00 0.00 C ATOM 0 H ALA A 44 -2.737 -3.191 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.213 -3.967 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.676 -5.495 -7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.111 -5.496 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.105 -4.593 -6.775 1.00 0.00 H new ATOM 789 N ASP A 45 -1.955 -1.832 -7.753 1.00 0.00 N ATOM 790 CA ASP A 45 -1.757 -0.765 -8.741 1.00 0.00 C ATOM 791 C ASP A 45 -0.418 -0.024 -8.530 1.00 0.00 C ATOM 792 O ASP A 45 0.346 0.134 -9.482 1.00 0.00 O ATOM 793 CB ASP A 45 -2.946 0.197 -8.687 1.00 0.00 C ATOM 794 CG ASP A 45 -2.857 1.267 -9.788 1.00 0.00 C ATOM 795 OD1 ASP A 45 -3.178 0.953 -10.959 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.471 2.422 -9.486 1.00 0.00 O ATOM 0 H ASP A 45 -2.813 -1.737 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.704 -1.213 -9.733 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.874 -0.364 -8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.980 0.680 -7.711 1.00 0.00 H new ATOM 801 N TYR A 46 -0.064 0.331 -7.288 1.00 0.00 N ATOM 802 CA TYR A 46 1.229 0.941 -6.935 1.00 0.00 C ATOM 803 C TYR A 46 2.420 0.006 -7.224 1.00 0.00 C ATOM 804 O TYR A 46 3.459 0.440 -7.730 1.00 0.00 O ATOM 805 CB TYR A 46 1.221 1.338 -5.444 1.00 0.00 C ATOM 806 CG TYR A 46 1.915 2.637 -5.082 1.00 0.00 C ATOM 807 CD1 TYR A 46 3.026 3.099 -5.805 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.437 3.384 -3.991 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.633 4.325 -5.483 1.00 0.00 C ATOM 810 CE2 TYR A 46 2.059 4.595 -3.633 1.00 0.00 C ATOM 811 CZ TYR A 46 3.152 5.079 -4.386 1.00 0.00 C ATOM 812 OH TYR A 46 3.759 6.243 -4.025 1.00 0.00 O ATOM 0 H TYR A 46 -0.678 0.201 -6.484 1.00 0.00 H new ATOM 0 HA TYR A 46 1.357 1.825 -7.559 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.184 1.403 -5.115 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.687 0.533 -4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.419 2.506 -6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.589 3.027 -3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.463 4.690 -6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.700 5.155 -2.782 1.00 0.00 H new ATOM 0 HH TYR A 46 3.296 6.628 -3.252 1.00 0.00 H new ATOM 822 N ILE A 47 2.258 -1.298 -6.980 1.00 0.00 N ATOM 823 CA ILE A 47 3.274 -2.325 -7.281 1.00 0.00 C ATOM 824 C ILE A 47 3.568 -2.409 -8.797 1.00 0.00 C ATOM 825 O ILE A 47 4.647 -2.841 -9.208 1.00 0.00 O ATOM 826 CB ILE A 47 2.848 -3.675 -6.638 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.637 -3.580 -5.103 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.805 -4.847 -6.910 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.604 -2.667 -4.335 1.00 0.00 C ATOM 0 H ILE A 47 1.409 -1.680 -6.563 1.00 0.00 H new ATOM 0 HA ILE A 47 4.228 -2.045 -6.833 1.00 0.00 H new ATOM 0 HB ILE A 47 1.900 -3.883 -7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.620 -3.232 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.711 -4.584 -4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.427 -5.746 -6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.874 -5.018 -7.984 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.793 -4.609 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.355 -2.684 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.626 -3.020 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.518 -1.648 -4.711 1.00 0.00 H new ATOM 841 N SER A 48 2.660 -1.900 -9.638 1.00 0.00 N ATOM 842 CA SER A 48 2.846 -1.749 -11.089 1.00 0.00 C ATOM 843 C SER A 48 3.502 -0.413 -11.510 1.00 0.00 C ATOM 844 O SER A 48 3.949 -0.288 -12.652 1.00 0.00 O ATOM 845 CB SER A 48 1.488 -1.940 -11.781 1.00 0.00 C ATOM 846 OG SER A 48 1.653 -2.370 -13.124 1.00 0.00 O ATOM 0 H SER A 48 1.748 -1.572 -9.320 1.00 0.00 H new ATOM 0 HA SER A 48 3.552 -2.516 -11.407 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.897 -2.673 -11.232 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.932 -1.003 -11.762 1.00 0.00 H new ATOM 0 HG SER A 48 2.419 -1.908 -13.524 1.00 0.00 H new ATOM 852 N GLU A 49 3.607 0.590 -10.622 1.00 0.00 N ATOM 853 CA GLU A 49 4.120 1.932 -10.952 1.00 0.00 C ATOM 854 C GLU A 49 5.602 2.087 -10.602 1.00 0.00 C ATOM 855 O GLU A 49 6.410 2.455 -11.459 1.00 0.00 O ATOM 856 CB GLU A 49 3.323 3.014 -10.201 1.00 0.00 C ATOM 857 CG GLU A 49 1.861 3.122 -10.625 1.00 0.00 C ATOM 858 CD GLU A 49 1.704 3.786 -12.008 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.637 3.067 -13.035 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.649 5.038 -12.080 1.00 0.00 O ATOM 0 H GLU A 49 3.335 0.491 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 49 4.003 2.054 -12.029 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.365 2.804 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.807 3.979 -10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.417 2.127 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.310 3.699 -9.882 1.00 0.00 H new ATOM 867 N VAL A 50 5.948 1.826 -9.336 1.00 0.00 N ATOM 868 CA VAL A 50 7.264 2.173 -8.756 1.00 0.00 C ATOM 869 C VAL A 50 8.074 0.967 -8.268 1.00 0.00 C ATOM 870 O VAL A 50 9.285 1.076 -8.081 1.00 0.00 O ATOM 871 CB VAL A 50 7.127 3.243 -7.654 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.307 4.451 -8.121 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.545 2.668 -6.360 1.00 0.00 C ATOM 0 H VAL A 50 5.323 1.365 -8.675 1.00 0.00 H new ATOM 0 HA VAL A 50 7.842 2.594 -9.579 1.00 0.00 H new ATOM 0 HB VAL A 50 8.139 3.588 -7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.237 5.178 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.794 4.911 -8.981 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.306 4.124 -8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.467 3.458 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.555 2.257 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.198 1.879 -5.987 1.00 0.00 H new ATOM 883 N GLY A 51 7.427 -0.181 -8.058 1.00 0.00 N ATOM 884 CA GLY A 51 8.050 -1.479 -7.802 1.00 0.00 C ATOM 885 C GLY A 51 7.472 -2.126 -6.549 1.00 0.00 C ATOM 886 O GLY A 51 6.547 -2.925 -6.632 1.00 0.00 O ATOM 0 H GLY A 51 6.408 -0.232 -8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.896 -2.135 -8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.127 -1.353 -7.687 1.00 0.00 H new ATOM 890 N LEU A 52 8.032 -1.776 -5.389 1.00 0.00 N ATOM 891 CA LEU A 52 7.655 -2.321 -4.069 1.00 0.00 C ATOM 892 C LEU A 52 8.240 -1.513 -2.898 1.00 0.00 C ATOM 893 O LEU A 52 7.594 -1.341 -1.866 1.00 0.00 O ATOM 894 CB LEU A 52 8.160 -3.778 -4.007 1.00 0.00 C ATOM 895 CG LEU A 52 7.796 -4.565 -2.738 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.285 -4.640 -2.487 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.366 -5.976 -2.889 1.00 0.00 C ATOM 0 H LEU A 52 8.782 -1.087 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 52 6.571 -2.265 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.765 -4.315 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.245 -3.770 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 52 8.220 -4.046 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.095 -5.209 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.884 -3.632 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.800 -5.132 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.125 -6.563 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.932 -6.452 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.449 -5.921 -3.004 1.00 0.00 H new ATOM 909 N ASN A 53 9.467 -1.017 -3.074 1.00 0.00 N ATOM 910 CA ASN A 53 10.256 -0.326 -2.039 1.00 0.00 C ATOM 911 C ASN A 53 10.319 1.207 -2.215 1.00 0.00 C ATOM 912 O ASN A 53 10.795 1.908 -1.320 1.00 0.00 O ATOM 913 CB ASN A 53 11.659 -0.962 -1.972 1.00 0.00 C ATOM 914 CG ASN A 53 11.639 -2.385 -1.434 1.00 0.00 C ATOM 915 OD1 ASN A 53 11.594 -2.618 -0.234 1.00 0.00 O ATOM 916 ND2 ASN A 53 11.654 -3.387 -2.284 1.00 0.00 N ATOM 0 H ASN A 53 9.958 -1.085 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 53 9.744 -0.463 -1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.100 -0.962 -2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.301 -0.349 -1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.628 -4.347 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.691 -3.205 -3.287 1.00 0.00 H new ATOM 923 N ASN A 54 9.843 1.735 -3.349 1.00 0.00 N ATOM 924 CA ASN A 54 9.913 3.162 -3.699 1.00 0.00 C ATOM 925 C ASN A 54 8.616 3.937 -3.378 1.00 0.00 C ATOM 926 O ASN A 54 8.622 5.170 -3.345 1.00 0.00 O ATOM 927 CB ASN A 54 10.312 3.282 -5.180 1.00 0.00 C ATOM 928 CG ASN A 54 11.580 2.510 -5.502 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.657 2.786 -4.993 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.482 1.483 -6.316 1.00 0.00 N ATOM 0 H ASN A 54 9.388 1.170 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 54 10.672 3.634 -3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.497 2.914 -5.804 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.456 4.333 -5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.304 0.916 -6.523 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.584 1.253 -6.741 1.00 0.00 H new ATOM 937 N LEU A 55 7.512 3.223 -3.124 1.00 0.00 N ATOM 938 CA LEU A 55 6.253 3.772 -2.602 1.00 0.00 C ATOM 939 C LEU A 55 6.381 4.206 -1.131 1.00 0.00 C ATOM 940 O LEU A 55 7.319 3.800 -0.438 1.00 0.00 O ATOM 941 CB LEU A 55 5.125 2.748 -2.839 1.00 0.00 C ATOM 942 CG LEU A 55 5.278 1.377 -2.151 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.655 1.351 -0.757 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.580 0.303 -2.981 1.00 0.00 C ATOM 0 H LEU A 55 7.469 2.216 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 55 6.001 4.685 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.187 3.192 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.036 2.582 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 55 6.348 1.190 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.790 0.363 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.139 2.098 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.590 1.573 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.691 -0.664 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.521 0.545 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.029 0.261 -3.973 1.00 0.00 H new ATOM 956 N ASN A 56 5.427 5.003 -0.640 1.00 0.00 N ATOM 957 CA ASN A 56 5.345 5.398 0.767 1.00 0.00 C ATOM 958 C ASN A 56 4.005 4.991 1.406 1.00 0.00 C ATOM 959 O ASN A 56 3.047 4.599 0.735 1.00 0.00 O ATOM 960 CB ASN A 56 5.721 6.891 0.921 1.00 0.00 C ATOM 961 CG ASN A 56 4.651 7.905 0.536 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.462 7.637 0.490 1.00 0.00 O ATOM 963 ND2 ASN A 56 5.037 9.137 0.309 1.00 0.00 N ATOM 0 H ASN A 56 4.682 5.396 -1.216 1.00 0.00 H new ATOM 0 HA ASN A 56 6.083 4.842 1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.000 7.067 1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.607 7.084 0.316 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.346 9.857 0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.028 9.376 0.344 1.00 0.00 H new ATOM 970 N ALA A 57 3.957 5.085 2.731 1.00 0.00 N ATOM 971 CA ALA A 57 2.800 4.720 3.542 1.00 0.00 C ATOM 972 C ALA A 57 1.706 5.806 3.539 1.00 0.00 C ATOM 973 O ALA A 57 0.531 5.493 3.717 1.00 0.00 O ATOM 974 CB ALA A 57 3.342 4.439 4.943 1.00 0.00 C ATOM 0 H ALA A 57 4.742 5.426 3.285 1.00 0.00 H new ATOM 0 HA ALA A 57 2.301 3.842 3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.520 4.159 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.064 3.624 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.829 5.334 5.331 1.00 0.00 H new ATOM 980 N THR A 58 2.084 7.067 3.300 1.00 0.00 N ATOM 981 CA THR A 58 1.194 8.240 3.274 1.00 0.00 C ATOM 982 C THR A 58 0.168 8.163 2.140 1.00 0.00 C ATOM 983 O THR A 58 -1.021 8.386 2.346 1.00 0.00 O ATOM 984 CB THR A 58 2.031 9.525 3.134 1.00 0.00 C ATOM 985 OG1 THR A 58 3.046 9.551 4.118 1.00 0.00 O ATOM 986 CG2 THR A 58 1.198 10.794 3.301 1.00 0.00 C ATOM 0 H THR A 58 3.056 7.311 3.112 1.00 0.00 H new ATOM 0 HA THR A 58 0.642 8.254 4.214 1.00 0.00 H new ATOM 0 HB THR A 58 2.448 9.508 2.127 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.575 10.370 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.840 11.668 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.418 10.820 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.740 10.801 4.290 1.00 0.00 H new ATOM 994 N GLU A 59 0.590 7.801 0.931 1.00 0.00 N ATOM 995 CA GLU A 59 -0.320 7.629 -0.212 1.00 0.00 C ATOM 996 C GLU A 59 -1.301 6.460 -0.005 1.00 0.00 C ATOM 997 O GLU A 59 -2.481 6.578 -0.342 1.00 0.00 O ATOM 998 CB GLU A 59 0.504 7.426 -1.491 1.00 0.00 C ATOM 999 CG GLU A 59 1.279 8.671 -1.950 1.00 0.00 C ATOM 1000 CD GLU A 59 0.340 9.806 -2.396 1.00 0.00 C ATOM 1001 OE1 GLU A 59 0.054 10.714 -1.579 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.120 9.804 -3.564 1.00 0.00 O ATOM 0 H GLU A 59 1.569 7.618 0.710 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.924 8.532 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.211 6.612 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.164 7.112 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.912 9.024 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.940 8.403 -2.774 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.852 5.364 0.622 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.721 4.250 1.026 1.00 0.00 C ATOM 1011 C LEU A 60 -2.749 4.682 2.084 1.00 0.00 C ATOM 1012 O LEU A 60 -3.942 4.446 1.905 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.875 3.060 1.528 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.588 1.996 0.454 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.309 2.517 -0.666 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.095 0.790 1.098 1.00 0.00 C ATOM 0 H LEU A 60 0.129 5.225 0.864 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.281 3.931 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.073 3.438 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.392 2.587 2.363 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.548 1.720 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.478 1.725 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.174 3.363 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.264 2.836 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.298 0.037 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.033 1.105 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.558 0.367 1.862 1.00 0.00 H new ATOM 1028 N SER A 61 -2.329 5.359 3.154 1.00 0.00 N ATOM 1029 CA SER A 61 -3.210 5.809 4.241 1.00 0.00 C ATOM 1030 C SER A 61 -4.241 6.852 3.794 1.00 0.00 C ATOM 1031 O SER A 61 -5.338 6.905 4.353 1.00 0.00 O ATOM 1032 CB SER A 61 -2.381 6.325 5.423 1.00 0.00 C ATOM 1033 OG SER A 61 -1.626 7.460 5.060 1.00 0.00 O ATOM 0 H SER A 61 -1.352 5.616 3.295 1.00 0.00 H new ATOM 0 HA SER A 61 -3.783 4.938 4.560 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.042 6.575 6.253 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.713 5.538 5.774 1.00 0.00 H new ATOM 0 HG SER A 61 -1.611 7.545 4.084 1.00 0.00 H new ATOM 1039 N LYS A 62 -3.943 7.611 2.730 1.00 0.00 N ATOM 1040 CA LYS A 62 -4.839 8.619 2.126 1.00 0.00 C ATOM 1041 C LYS A 62 -5.954 7.991 1.286 1.00 0.00 C ATOM 1042 O LYS A 62 -7.070 8.511 1.262 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.011 9.590 1.262 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.249 10.631 2.099 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.139 11.329 1.296 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.687 12.128 0.106 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.588 12.749 -0.675 1.00 0.00 N ATOM 0 H LYS A 62 -3.046 7.542 2.248 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.322 9.157 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.300 9.021 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.673 10.105 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.950 11.378 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.812 10.143 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.585 11.998 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.433 10.582 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.269 11.471 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.364 12.903 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.989 13.311 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.028 13.368 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.976 12.004 -1.065 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.655 6.884 0.595 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.545 6.233 -0.388 1.00 0.00 C ATOM 1063 C ARG A 63 -7.287 5.013 0.174 1.00 0.00 C ATOM 1064 O ARG A 63 -8.437 4.783 -0.194 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.715 5.888 -1.639 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.170 7.117 -2.394 1.00 0.00 C ATOM 1067 CD ARG A 63 -6.241 7.893 -3.177 1.00 0.00 C ATOM 1068 NE ARG A 63 -6.646 7.185 -4.411 1.00 0.00 N ATOM 1069 CZ ARG A 63 -6.082 7.280 -5.604 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -6.547 6.596 -6.610 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -5.051 8.046 -5.831 1.00 0.00 N ATOM 0 H ARG A 63 -4.764 6.399 0.704 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.339 6.931 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.877 5.257 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.331 5.301 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.698 7.790 -1.679 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.393 6.791 -3.086 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.114 8.045 -2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.858 8.880 -3.435 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.446 6.556 -4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.351 5.982 -6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.107 6.674 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.651 8.600 -5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.645 8.091 -6.766 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.666 4.271 1.096 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.279 3.158 1.841 1.00 0.00 C ATOM 1087 C LEU A 64 -8.013 3.623 3.114 1.00 0.00 C ATOM 1088 O LEU A 64 -8.855 2.886 3.631 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.198 2.129 2.222 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.418 1.511 1.049 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.196 0.764 1.578 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.282 0.519 0.275 1.00 0.00 C ATOM 0 H LEU A 64 -5.692 4.430 1.355 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.022 2.707 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.487 2.610 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.672 1.323 2.783 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.118 2.323 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.647 0.328 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.549 1.458 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.518 -0.028 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.704 0.098 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.601 -0.282 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.158 1.032 -0.122 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.704 4.828 3.618 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.245 5.392 4.866 1.00 0.00 C ATOM 1106 C ASN A 65 -7.916 4.508 6.095 1.00 0.00 C ATOM 1107 O ASN A 65 -8.792 4.034 6.824 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.729 5.775 4.675 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.227 6.770 5.714 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.429 7.945 5.440 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.439 6.343 6.938 1.00 0.00 N ATOM 0 H ASN A 65 -7.050 5.458 3.153 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.739 6.328 5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.863 6.200 3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.340 4.873 4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.770 6.990 7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.272 5.364 7.173 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.615 4.293 6.297 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.982 3.572 7.418 1.00 0.00 C ATOM 1120 C ILE A 66 -5.024 4.510 8.170 1.00 0.00 C ATOM 1121 O ILE A 66 -4.668 5.574 7.662 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.241 2.300 6.922 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.251 2.619 5.777 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.253 1.218 6.523 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.502 1.428 5.176 1.00 0.00 C ATOM 0 H ILE A 66 -5.920 4.641 5.637 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.763 3.246 8.105 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.641 1.913 7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.801 3.116 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.516 3.333 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.721 0.332 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.868 0.959 7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.891 1.594 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.839 1.777 4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.914 0.939 5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.219 0.718 4.763 1.00 0.00 H new ATOM 1137 N THR A 67 -4.558 4.116 9.358 1.00 0.00 N ATOM 1138 CA THR A 67 -3.413 4.785 10.005 1.00 0.00 C ATOM 1139 C THR A 67 -2.108 4.469 9.262 1.00 0.00 C ATOM 1140 O THR A 67 -1.966 3.402 8.657 1.00 0.00 O ATOM 1141 CB THR A 67 -3.323 4.467 11.506 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.300 5.246 12.085 1.00 0.00 O ATOM 1143 CG2 THR A 67 -3.013 3.003 11.823 1.00 0.00 C ATOM 0 H THR A 67 -4.950 3.342 9.894 1.00 0.00 H new ATOM 0 HA THR A 67 -3.578 5.860 9.938 1.00 0.00 H new ATOM 0 HB THR A 67 -4.309 4.691 11.913 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.240 5.048 13.043 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.967 2.866 12.903 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.796 2.367 11.410 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.054 2.730 11.382 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.134 5.384 9.313 1.00 0.00 N ATOM 1152 CA VAL A 68 0.157 5.256 8.608 1.00 0.00 C ATOM 1153 C VAL A 68 0.906 3.995 9.046 1.00 0.00 C ATOM 1154 O VAL A 68 1.509 3.310 8.226 1.00 0.00 O ATOM 1155 CB VAL A 68 1.044 6.504 8.820 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.233 6.509 7.851 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.281 7.819 8.602 1.00 0.00 C ATOM 0 H VAL A 68 -1.216 6.247 9.850 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.066 5.173 7.544 1.00 0.00 H new ATOM 0 HB VAL A 68 1.380 6.445 9.855 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.839 7.398 8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.840 5.619 8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.866 6.513 6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.954 8.661 8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.103 7.852 7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.550 7.878 9.304 1.00 0.00 H new ATOM 1167 N ASP A 69 0.806 3.621 10.322 1.00 0.00 N ATOM 1168 CA ASP A 69 1.469 2.430 10.864 1.00 0.00 C ATOM 1169 C ASP A 69 0.911 1.108 10.315 1.00 0.00 C ATOM 1170 O ASP A 69 1.680 0.171 10.079 1.00 0.00 O ATOM 1171 CB ASP A 69 1.410 2.480 12.396 1.00 0.00 C ATOM 1172 CG ASP A 69 2.220 1.342 13.041 1.00 0.00 C ATOM 1173 OD1 ASP A 69 3.472 1.394 12.998 1.00 0.00 O ATOM 1174 OD2 ASP A 69 1.606 0.411 13.615 1.00 0.00 O ATOM 0 H ASP A 69 0.261 4.136 11.013 1.00 0.00 H new ATOM 0 HA ASP A 69 2.507 2.449 10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.794 3.440 12.743 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.372 2.416 12.721 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.394 1.049 10.006 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.983 -0.106 9.316 1.00 0.00 C ATOM 1181 C LYS A 70 -0.493 -0.197 7.879 1.00 0.00 C ATOM 1182 O LYS A 70 -0.228 -1.301 7.419 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.519 -0.082 9.384 1.00 0.00 C ATOM 1184 CG LYS A 70 -3.027 -0.566 10.749 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.562 -0.638 10.770 1.00 0.00 C ATOM 1186 CE LYS A 70 -5.113 -1.088 12.132 1.00 0.00 C ATOM 1187 NZ LYS A 70 -4.792 -2.509 12.436 1.00 0.00 N ATOM 0 H LYS A 70 -1.061 1.789 10.224 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.650 -1.004 9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.877 0.931 9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.929 -0.714 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.610 -1.549 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.680 0.110 11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.972 0.341 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.900 -1.330 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.702 -0.451 12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.194 -0.952 12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.200 -2.768 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.191 -3.121 11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.760 -2.633 12.468 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.274 0.931 7.202 1.00 0.00 N ATOM 1202 CA ALA A 71 0.284 0.940 5.848 1.00 0.00 C ATOM 1203 C ALA A 71 1.752 0.476 5.863 1.00 0.00 C ATOM 1204 O ALA A 71 2.124 -0.431 5.119 1.00 0.00 O ATOM 1205 CB ALA A 71 0.108 2.342 5.243 1.00 0.00 C ATOM 0 H ALA A 71 -0.477 1.859 7.573 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.252 0.232 5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.521 2.358 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.952 2.591 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.630 3.073 5.860 1.00 0.00 H new ATOM 1211 N LYS A 72 2.562 1.021 6.780 1.00 0.00 N ATOM 1212 CA LYS A 72 3.990 0.692 6.958 1.00 0.00 C ATOM 1213 C LYS A 72 4.229 -0.801 7.218 1.00 0.00 C ATOM 1214 O LYS A 72 5.155 -1.374 6.642 1.00 0.00 O ATOM 1215 CB LYS A 72 4.576 1.529 8.111 1.00 0.00 C ATOM 1216 CG LYS A 72 4.804 3.004 7.752 1.00 0.00 C ATOM 1217 CD LYS A 72 5.131 3.888 8.968 1.00 0.00 C ATOM 1218 CE LYS A 72 6.358 3.451 9.783 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.632 3.618 9.030 1.00 0.00 N ATOM 0 H LYS A 72 2.235 1.726 7.441 1.00 0.00 H new ATOM 0 HA LYS A 72 4.496 0.935 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.903 1.473 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.524 1.090 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.620 3.073 7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.912 3.392 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.289 4.910 8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.264 3.906 9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.405 4.033 10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.245 2.406 10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.429 3.309 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.602 3.043 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.757 4.619 8.776 1.00 0.00 H new ATOM 1233 N THR A 73 3.401 -1.445 8.047 1.00 0.00 N ATOM 1234 CA THR A 73 3.547 -2.887 8.340 1.00 0.00 C ATOM 1235 C THR A 73 2.883 -3.781 7.289 1.00 0.00 C ATOM 1236 O THR A 73 3.418 -4.838 6.943 1.00 0.00 O ATOM 1237 CB THR A 73 3.093 -3.221 9.771 1.00 0.00 C ATOM 1238 OG1 THR A 73 3.637 -4.465 10.150 1.00 0.00 O ATOM 1239 CG2 THR A 73 1.577 -3.304 9.951 1.00 0.00 C ATOM 0 H THR A 73 2.622 -0.997 8.530 1.00 0.00 H new ATOM 0 HA THR A 73 4.612 -3.111 8.281 1.00 0.00 H new ATOM 0 HB THR A 73 3.448 -2.399 10.392 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.352 -4.682 11.062 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.346 -3.544 10.989 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.127 -2.346 9.691 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.176 -4.082 9.301 1.00 0.00 H new ATOM 1247 N TYR A 74 1.762 -3.353 6.701 1.00 0.00 N ATOM 1248 CA TYR A 74 1.089 -4.102 5.639 1.00 0.00 C ATOM 1249 C TYR A 74 1.938 -4.190 4.357 1.00 0.00 C ATOM 1250 O TYR A 74 1.978 -5.254 3.737 1.00 0.00 O ATOM 1251 CB TYR A 74 -0.288 -3.487 5.369 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.945 -4.070 4.146 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.960 -3.310 2.966 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.403 -5.402 4.145 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.396 -3.892 1.771 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.836 -5.990 2.942 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.813 -5.243 1.744 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.160 -5.846 0.575 1.00 0.00 O ATOM 0 H TYR A 74 1.297 -2.479 6.948 1.00 0.00 H new ATOM 0 HA TYR A 74 0.954 -5.129 5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.931 -3.647 6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.184 -2.409 5.244 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.636 -2.280 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.422 -5.970 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.414 -3.306 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.186 -7.012 2.935 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.419 -6.775 0.750 1.00 0.00 H new ATOM 1268 N ILE A 75 2.691 -3.133 4.012 1.00 0.00 N ATOM 1269 CA ILE A 75 3.685 -3.146 2.921 1.00 0.00 C ATOM 1270 C ILE A 75 4.629 -4.346 3.090 1.00 0.00 C ATOM 1271 O ILE A 75 4.625 -5.240 2.251 1.00 0.00 O ATOM 1272 CB ILE A 75 4.435 -1.789 2.850 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.519 -0.700 2.245 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.732 -1.892 2.022 1.00 0.00 C ATOM 1275 CD1 ILE A 75 3.997 0.734 2.534 1.00 0.00 C ATOM 0 H ILE A 75 2.627 -2.233 4.488 1.00 0.00 H new ATOM 0 HA ILE A 75 3.179 -3.268 1.963 1.00 0.00 H new ATOM 0 HB ILE A 75 4.706 -1.515 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.460 -0.844 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.510 -0.825 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.226 -0.921 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.397 -2.626 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.491 -2.202 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.308 1.446 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.029 0.897 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.993 0.877 2.116 1.00 0.00 H new ATOM 1287 N LYS A 76 5.360 -4.421 4.208 1.00 0.00 N ATOM 1288 CA LYS A 76 6.244 -5.534 4.636 1.00 0.00 C ATOM 1289 C LYS A 76 5.596 -6.916 4.686 1.00 0.00 C ATOM 1290 O LYS A 76 6.283 -7.927 4.532 1.00 0.00 O ATOM 1291 CB LYS A 76 6.817 -5.215 6.026 1.00 0.00 C ATOM 1292 CG LYS A 76 8.066 -4.346 5.880 1.00 0.00 C ATOM 1293 CD LYS A 76 8.688 -3.976 7.233 1.00 0.00 C ATOM 1294 CE LYS A 76 7.814 -2.988 8.022 1.00 0.00 C ATOM 1295 NZ LYS A 76 8.461 -2.597 9.303 1.00 0.00 N ATOM 0 H LYS A 76 5.356 -3.661 4.889 1.00 0.00 H new ATOM 0 HA LYS A 76 7.012 -5.596 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.070 -4.697 6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.064 -6.139 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.804 -4.875 5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.809 -3.434 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.835 -4.881 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.673 -3.538 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.631 -2.099 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.843 -3.440 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.847 -1.930 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.613 -3.444 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.376 -2.144 9.106 1.00 0.00 H new ATOM 1309 N ASN A 77 4.285 -6.990 4.893 1.00 0.00 N ATOM 1310 CA ASN A 77 3.575 -8.269 4.886 1.00 0.00 C ATOM 1311 C ASN A 77 3.298 -8.822 3.470 1.00 0.00 C ATOM 1312 O ASN A 77 3.025 -10.015 3.330 1.00 0.00 O ATOM 1313 CB ASN A 77 2.343 -8.198 5.803 1.00 0.00 C ATOM 1314 CG ASN A 77 2.736 -8.477 7.244 1.00 0.00 C ATOM 1315 OD1 ASN A 77 2.695 -9.608 7.706 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.207 -7.495 7.975 1.00 0.00 N ATOM 0 H ASN A 77 3.690 -6.180 5.068 1.00 0.00 H new ATOM 0 HA ASN A 77 4.239 -9.023 5.309 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.884 -7.212 5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.597 -8.922 5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.536 -7.677 8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.244 -6.549 7.595 1.00 0.00 H new ATOM 1420 N THR A 84 14.073 -7.212 3.285 1.00 0.00 N ATOM 1421 CA THR A 84 13.341 -7.551 4.525 1.00 0.00 C ATOM 1422 C THR A 84 14.000 -8.676 5.348 1.00 0.00 C ATOM 1423 O THR A 84 13.452 -9.177 6.330 1.00 0.00 O ATOM 1424 CB THR A 84 11.848 -7.768 4.205 1.00 0.00 C ATOM 1425 OG1 THR A 84 11.393 -6.746 3.343 1.00 0.00 O ATOM 1426 CG2 THR A 84 10.915 -7.733 5.418 1.00 0.00 C ATOM 0 HA THR A 84 13.402 -6.701 5.204 1.00 0.00 H new ATOM 0 HB THR A 84 11.807 -8.765 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 84 12.115 -6.488 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.888 -7.895 5.092 1.00 0.00 H new ATOM 0 HG22 THR A 84 11.201 -8.517 6.120 1.00 0.00 H new ATOM 0 HG23 THR A 84 10.991 -6.762 5.908 1.00 0.00 H new ATOM 1434 N ASN A 85 15.235 -9.023 4.976 1.00 0.00 N ATOM 1435 CA ASN A 85 16.209 -9.837 5.717 1.00 0.00 C ATOM 1436 C ASN A 85 15.731 -11.288 5.887 1.00 0.00 C ATOM 1437 O ASN A 85 15.920 -11.950 6.909 1.00 0.00 O ATOM 1438 CB ASN A 85 16.645 -9.081 6.994 1.00 0.00 C ATOM 1439 CG ASN A 85 17.771 -9.753 7.762 1.00 0.00 C ATOM 1440 OD1 ASN A 85 17.592 -10.252 8.865 1.00 0.00 O ATOM 1441 ND2 ASN A 85 18.968 -9.781 7.221 1.00 0.00 N ATOM 0 H ASN A 85 15.612 -8.719 4.078 1.00 0.00 H new ATOM 0 HA ASN A 85 17.127 -9.968 5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 85 16.959 -8.075 6.717 1.00 0.00 H new ATOM 0 HB3 ASN A 85 15.783 -8.976 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 85 19.743 -10.217 7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 85 19.122 -9.366 6.302 1.00 0.00 H new ATOM 1448 N ASN A 86 15.079 -11.759 4.827 1.00 0.00 N ATOM 1449 CA ASN A 86 14.466 -13.077 4.703 1.00 0.00 C ATOM 1450 C ASN A 86 15.447 -14.223 4.412 1.00 0.00 C ATOM 1451 O ASN A 86 15.130 -15.401 4.576 1.00 0.00 O ATOM 1452 CB ASN A 86 13.466 -12.950 3.543 1.00 0.00 C ATOM 1453 CG ASN A 86 12.394 -14.004 3.656 1.00 0.00 C ATOM 1454 OD1 ASN A 86 12.265 -14.937 2.878 1.00 0.00 O ATOM 1455 ND2 ASN A 86 11.632 -13.862 4.708 1.00 0.00 N ATOM 0 H ASN A 86 14.958 -11.198 3.984 1.00 0.00 H new ATOM 0 HA ASN A 86 14.013 -13.344 5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.013 -11.959 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.988 -13.053 2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 86 10.899 -14.544 4.902 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.770 -13.069 5.335 1.00 0.00 H new ATOM 1462 N PHE A 87 16.627 -13.864 3.918 1.00 0.00 N ATOM 1463 CA PHE A 87 17.446 -14.689 3.031 1.00 0.00 C ATOM 1464 C PHE A 87 18.737 -15.194 3.708 1.00 0.00 C ATOM 1465 O PHE A 87 19.709 -15.582 3.059 1.00 0.00 O ATOM 1466 CB PHE A 87 17.659 -13.860 1.755 1.00 0.00 C ATOM 1467 CG PHE A 87 18.401 -12.553 1.978 1.00 0.00 C ATOM 1468 CD1 PHE A 87 19.807 -12.518 1.959 1.00 0.00 C ATOM 1469 CD2 PHE A 87 17.677 -11.373 2.245 1.00 0.00 C ATOM 1470 CE1 PHE A 87 20.488 -11.318 2.226 1.00 0.00 C ATOM 1471 CE2 PHE A 87 18.360 -10.171 2.504 1.00 0.00 C ATOM 1472 CZ PHE A 87 19.765 -10.144 2.498 1.00 0.00 C ATOM 0 H PHE A 87 17.055 -12.963 4.129 1.00 0.00 H new ATOM 0 HA PHE A 87 16.947 -15.623 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 87 18.213 -14.461 1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.688 -13.642 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 87 20.365 -13.416 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 87 16.597 -11.392 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 87 21.568 -11.298 2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 87 17.804 -9.268 2.708 1.00 0.00 H new ATOM 0 HZ PHE A 87 20.289 -9.222 2.702 1.00 0.00 H new ATOM 1482 N LYS A 88 18.730 -15.190 5.046 1.00 0.00 N ATOM 1483 CA LYS A 88 19.845 -15.495 5.967 1.00 0.00 C ATOM 1484 C LYS A 88 20.009 -16.981 6.305 1.00 0.00 C ATOM 1485 O LYS A 88 20.770 -17.347 7.202 1.00 0.00 O ATOM 1486 CB LYS A 88 19.665 -14.637 7.228 1.00 0.00 C ATOM 1487 CG LYS A 88 18.372 -14.937 8.012 1.00 0.00 C ATOM 1488 CD LYS A 88 17.998 -13.749 8.903 1.00 0.00 C ATOM 1489 CE LYS A 88 16.594 -13.933 9.491 1.00 0.00 C ATOM 1490 NZ LYS A 88 15.968 -12.618 9.781 1.00 0.00 N ATOM 0 H LYS A 88 17.880 -14.956 5.559 1.00 0.00 H new ATOM 0 HA LYS A 88 20.776 -15.246 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 88 20.520 -14.792 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 88 19.669 -13.585 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.559 -15.148 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.509 -15.829 8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.725 -13.650 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.037 -12.827 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.972 -14.491 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.652 -14.523 10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.796 -12.533 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.604 -11.855 9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.065 -12.543 9.271 1.00 0.00 H new ATOM 1504 N THR A 89 19.262 -17.819 5.593 1.00 0.00 N ATOM 1505 CA THR A 89 19.064 -19.244 5.856 1.00 0.00 C ATOM 1506 C THR A 89 18.906 -19.996 4.532 1.00 0.00 C ATOM 1507 O THR A 89 19.591 -20.986 4.283 1.00 0.00 O ATOM 1508 CB THR A 89 17.797 -19.413 6.714 1.00 0.00 C ATOM 1509 OG1 THR A 89 17.875 -18.658 7.906 1.00 0.00 O ATOM 1510 CG2 THR A 89 17.594 -20.860 7.116 1.00 0.00 C ATOM 0 H THR A 89 18.748 -17.506 4.769 1.00 0.00 H new ATOM 0 HA THR A 89 19.925 -19.650 6.387 1.00 0.00 H new ATOM 0 HB THR A 89 16.967 -19.066 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 89 17.055 -18.785 8.428 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.691 -20.946 7.721 1.00 0.00 H new ATOM 0 HG22 THR A 89 17.492 -21.475 6.222 1.00 0.00 H new ATOM 0 HG23 THR A 89 18.453 -21.201 7.695 1.00 0.00 H new ATOM 1518 N ILE A 90 18.031 -19.490 3.657 1.00 0.00 N ATOM 1519 CA ILE A 90 17.735 -20.048 2.326 1.00 0.00 C ATOM 1520 C ILE A 90 18.823 -19.602 1.330 1.00 0.00 C ATOM 1521 O ILE A 90 19.468 -18.573 1.536 1.00 0.00 O ATOM 1522 CB ILE A 90 16.302 -19.651 1.865 1.00 0.00 C ATOM 1523 CG1 ILE A 90 15.268 -19.736 3.018 1.00 0.00 C ATOM 1524 CG2 ILE A 90 15.829 -20.541 0.697 1.00 0.00 C ATOM 1525 CD1 ILE A 90 13.851 -19.287 2.638 1.00 0.00 C ATOM 0 H ILE A 90 17.488 -18.651 3.860 1.00 0.00 H new ATOM 0 HA ILE A 90 17.751 -21.137 2.372 1.00 0.00 H new ATOM 0 HB ILE A 90 16.364 -18.614 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 90 15.226 -20.765 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.619 -19.124 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 90 14.825 -20.242 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 90 16.511 -20.428 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 90 15.817 -21.583 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.195 -19.380 3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.874 -18.248 2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 90 13.475 -19.914 1.830 1.00 0.00 H new ATOM 1537 N LYS A 91 19.032 -20.366 0.248 1.00 0.00 N ATOM 1538 CA LYS A 91 20.048 -20.125 -0.808 1.00 0.00 C ATOM 1539 C LYS A 91 21.520 -20.200 -0.339 1.00 0.00 C ATOM 1540 O LYS A 91 22.408 -19.764 -1.074 1.00 0.00 O ATOM 1541 CB LYS A 91 19.763 -18.803 -1.574 1.00 0.00 C ATOM 1542 CG LYS A 91 18.330 -18.545 -2.084 1.00 0.00 C ATOM 1543 CD LYS A 91 18.033 -19.061 -3.500 1.00 0.00 C ATOM 1544 CE LYS A 91 18.132 -20.585 -3.634 1.00 0.00 C ATOM 1545 NZ LYS A 91 17.754 -21.033 -5.002 1.00 0.00 N ATOM 0 H LYS A 91 18.480 -21.205 0.070 1.00 0.00 H new ATOM 0 HA LYS A 91 19.937 -20.966 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 91 20.037 -17.975 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 91 20.433 -18.766 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.627 -19.008 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.141 -17.472 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.031 -18.744 -3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.729 -18.598 -4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.150 -20.906 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.480 -21.060 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.831 -22.068 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.775 -20.746 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.392 -20.598 -5.699 1.00 0.00 H new ATOM 1559 N MET A 92 21.795 -20.743 0.856 1.00 0.00 N ATOM 1560 CA MET A 92 23.159 -20.831 1.427 1.00 0.00 C ATOM 1561 C MET A 92 23.709 -22.258 1.627 1.00 0.00 C ATOM 1562 O MET A 92 24.927 -22.419 1.737 1.00 0.00 O ATOM 1563 CB MET A 92 23.232 -20.078 2.764 1.00 0.00 C ATOM 1564 CG MET A 92 22.817 -18.604 2.675 1.00 0.00 C ATOM 1565 SD MET A 92 23.420 -17.547 4.025 1.00 0.00 S ATOM 1566 CE MET A 92 23.077 -18.595 5.467 1.00 0.00 C ATOM 0 H MET A 92 21.076 -21.138 1.462 1.00 0.00 H new ATOM 0 HA MET A 92 23.794 -20.369 0.671 1.00 0.00 H new ATOM 0 HB2 MET A 92 22.592 -20.582 3.488 1.00 0.00 H new ATOM 0 HB3 MET A 92 24.251 -20.135 3.146 1.00 0.00 H new ATOM 0 HG2 MET A 92 23.177 -18.198 1.729 1.00 0.00 H new ATOM 0 HG3 MET A 92 21.729 -18.550 2.652 1.00 0.00 H new ATOM 0 HE1 MET A 92 23.208 -18.013 6.379 1.00 0.00 H new ATOM 0 HE2 MET A 92 22.052 -18.961 5.415 1.00 0.00 H new ATOM 0 HE3 MET A 92 23.765 -19.441 5.474 1.00 0.00 H new ATOM 1576 N PHE A 93 22.849 -23.284 1.706 1.00 0.00 N ATOM 1577 CA PHE A 93 23.247 -24.676 2.002 1.00 0.00 C ATOM 1578 C PHE A 93 22.701 -25.726 1.014 1.00 0.00 C ATOM 1579 O PHE A 93 23.069 -26.900 1.088 1.00 0.00 O ATOM 1580 CB PHE A 93 22.863 -25.011 3.455 1.00 0.00 C ATOM 1581 CG PHE A 93 21.379 -25.231 3.697 1.00 0.00 C ATOM 1582 CD1 PHE A 93 20.830 -26.526 3.609 1.00 0.00 C ATOM 1583 CD2 PHE A 93 20.545 -24.145 4.022 1.00 0.00 C ATOM 1584 CE1 PHE A 93 19.456 -26.730 3.833 1.00 0.00 C ATOM 1585 CE2 PHE A 93 19.171 -24.349 4.245 1.00 0.00 C ATOM 1586 CZ PHE A 93 18.626 -25.641 4.151 1.00 0.00 C ATOM 0 H PHE A 93 21.845 -23.173 1.565 1.00 0.00 H new ATOM 0 HA PHE A 93 24.328 -24.730 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 93 23.401 -25.909 3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 93 23.204 -24.201 4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 93 21.466 -27.365 3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 93 20.961 -23.152 4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 93 19.039 -27.724 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 93 18.534 -23.512 4.489 1.00 0.00 H new ATOM 0 HZ PHE A 93 17.571 -25.797 4.323 1.00 0.00 H new ATOM 1596 N GLU A 94 21.837 -25.325 0.076 1.00 0.00 N ATOM 1597 CA GLU A 94 21.128 -26.215 -0.865 1.00 0.00 C ATOM 1598 C GLU A 94 21.854 -26.361 -2.223 1.00 0.00 C ATOM 1599 O GLU A 94 21.262 -26.757 -3.229 1.00 0.00 O ATOM 1600 CB GLU A 94 19.671 -25.739 -1.020 1.00 0.00 C ATOM 1601 CG GLU A 94 18.904 -25.718 0.310 1.00 0.00 C ATOM 1602 CD GLU A 94 17.452 -25.253 0.098 1.00 0.00 C ATOM 1603 OE1 GLU A 94 17.219 -24.023 0.001 1.00 0.00 O ATOM 1604 OE2 GLU A 94 16.537 -26.111 0.021 1.00 0.00 O ATOM 0 H GLU A 94 21.600 -24.342 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 94 21.123 -27.221 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.665 -24.739 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.153 -26.393 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.910 -26.713 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.405 -25.052 1.013 1.00 0.00 H new