USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 452 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= -0.448 K(o=-0.45,f=-2.2!) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 168:sc= 0.00112 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -120:sc= 1.22 (180deg=-1.05) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -112:sc= -10! (180deg=-15!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 154:sc= -0.662 (180deg=-2.74!) USER MOD Single : A 64 ASN : amide:sc= 0.662 K(o=0.66,f=-4.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -23:sc= 0.102 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00639 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl -169:sc= -5.55! (180deg=-6.09!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 100 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.4) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HE2:sc= -3.91! X(o=-3.9!,f=-3.8) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.637 12.278 1.053 1.00 0.00 N ATOM 664 CA LEU A 47 14.131 13.638 1.236 1.00 0.00 C ATOM 665 C LEU A 47 14.584 14.236 -0.093 1.00 0.00 C ATOM 666 O LEU A 47 14.286 15.390 -0.397 1.00 0.00 O ATOM 667 CB LEU A 47 15.290 13.651 2.234 1.00 0.00 C ATOM 668 CG LEU A 47 14.909 13.846 3.702 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.057 13.436 4.611 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.512 15.292 3.962 1.00 0.00 C ATOM 0 HA LEU A 47 13.315 14.245 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.833 12.710 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.979 14.446 1.950 1.00 0.00 H new ATOM 0 HG LEU A 47 14.053 13.209 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.767 13.582 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.296 12.386 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.932 14.046 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.244 15.413 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.349 15.948 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.658 15.553 3.337 1.00 0.00 H new ATOM 682 N GLU A 48 15.302 13.441 -0.879 1.00 0.00 N ATOM 683 CA GLU A 48 15.794 13.893 -2.176 1.00 0.00 C ATOM 684 C GLU A 48 14.684 14.573 -2.972 1.00 0.00 C ATOM 685 O GLU A 48 14.818 15.724 -3.387 1.00 0.00 O ATOM 686 CB GLU A 48 16.357 12.713 -2.972 1.00 0.00 C ATOM 687 CG GLU A 48 17.207 13.130 -4.159 1.00 0.00 C ATOM 688 CD GLU A 48 18.135 12.027 -4.629 1.00 0.00 C ATOM 689 OE1 GLU A 48 17.686 10.864 -4.699 1.00 0.00 O ATOM 690 OE2 GLU A 48 19.311 12.326 -4.925 1.00 0.00 O ATOM 0 H GLU A 48 15.556 12.482 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 48 16.589 14.618 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.956 12.090 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.530 12.097 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.556 13.426 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.797 14.006 -3.889 1.00 0.00 H new ATOM 697 N LYS A 49 13.587 13.853 -3.180 1.00 0.00 N ATOM 698 CA LYS A 49 12.452 14.386 -3.925 1.00 0.00 C ATOM 699 C LYS A 49 11.981 15.708 -3.327 1.00 0.00 C ATOM 700 O LYS A 49 11.692 16.660 -4.052 1.00 0.00 O ATOM 701 CB LYS A 49 11.300 13.378 -3.930 1.00 0.00 C ATOM 702 CG LYS A 49 10.232 13.679 -4.967 1.00 0.00 C ATOM 703 CD LYS A 49 9.391 12.452 -5.275 1.00 0.00 C ATOM 704 CE LYS A 49 8.194 12.800 -6.146 1.00 0.00 C ATOM 705 NZ LYS A 49 7.063 11.854 -5.939 1.00 0.00 N ATOM 0 H LYS A 49 13.460 12.899 -2.843 1.00 0.00 H new ATOM 0 HA LYS A 49 12.775 14.565 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.701 12.381 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.840 13.360 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.588 14.481 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.703 14.037 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.005 11.706 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.046 12.003 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.864 13.814 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.492 12.786 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.267 12.126 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.369 10.889 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.762 11.886 -4.944 1.00 0.00 H new ATOM 719 N ALA A 50 11.907 15.760 -2.001 1.00 0.00 N ATOM 720 CA ALA A 50 11.475 16.967 -1.307 1.00 0.00 C ATOM 721 C ALA A 50 12.378 18.148 -1.645 1.00 0.00 C ATOM 722 O ALA A 50 11.922 19.154 -2.189 1.00 0.00 O ATOM 723 CB ALA A 50 11.451 16.731 0.196 1.00 0.00 C ATOM 0 H ALA A 50 12.141 14.980 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 50 10.466 17.208 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.127 17.640 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.759 15.921 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.450 16.462 0.538 1.00 0.00 H new ATOM 729 N ALA A 51 13.660 18.019 -1.320 1.00 0.00 N ATOM 730 CA ALA A 51 14.626 19.076 -1.590 1.00 0.00 C ATOM 731 C ALA A 51 14.409 19.677 -2.975 1.00 0.00 C ATOM 732 O ALA A 51 14.268 20.891 -3.120 1.00 0.00 O ATOM 733 CB ALA A 51 16.044 18.539 -1.462 1.00 0.00 C ATOM 0 H ALA A 51 14.053 17.193 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 51 14.480 19.866 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.756 19.339 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.201 18.163 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.193 17.730 -2.177 1.00 0.00 H new ATOM 739 N VAL A 52 14.384 18.819 -3.990 1.00 0.00 N ATOM 740 CA VAL A 52 14.184 19.266 -5.364 1.00 0.00 C ATOM 741 C VAL A 52 12.966 20.176 -5.473 1.00 0.00 C ATOM 742 O VAL A 52 13.012 21.217 -6.129 1.00 0.00 O ATOM 743 CB VAL A 52 14.007 18.073 -6.322 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.792 18.559 -7.747 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.209 17.144 -6.242 1.00 0.00 C ATOM 0 H VAL A 52 14.500 17.811 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 52 15.077 19.822 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 52 13.123 17.513 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.669 17.702 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.898 19.181 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.655 19.143 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.068 16.306 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.110 17.690 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.311 16.768 -5.224 1.00 0.00 H new ATOM 755 N LYS A 53 11.877 19.778 -4.826 1.00 0.00 N ATOM 756 CA LYS A 53 10.645 20.559 -4.848 1.00 0.00 C ATOM 757 C LYS A 53 10.830 21.889 -4.124 1.00 0.00 C ATOM 758 O LYS A 53 10.465 22.945 -4.641 1.00 0.00 O ATOM 759 CB LYS A 53 9.505 19.769 -4.201 1.00 0.00 C ATOM 760 CG LYS A 53 8.719 18.920 -5.185 1.00 0.00 C ATOM 761 CD LYS A 53 9.610 17.908 -5.885 1.00 0.00 C ATOM 762 CE LYS A 53 9.098 17.585 -7.280 1.00 0.00 C ATOM 763 NZ LYS A 53 7.871 16.743 -7.240 1.00 0.00 N ATOM 0 H LYS A 53 11.822 18.919 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 53 10.393 20.764 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.916 19.124 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.825 20.465 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.919 18.399 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.247 19.564 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.625 18.299 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.658 16.994 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.885 18.512 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.876 17.067 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.049 15.846 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.616 16.548 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.089 17.246 -7.707 1.00 0.00 H new ATOM 777 N LYS A 54 11.401 21.831 -2.926 1.00 0.00 N ATOM 778 CA LYS A 54 11.639 23.030 -2.132 1.00 0.00 C ATOM 779 C LYS A 54 12.227 24.145 -2.992 1.00 0.00 C ATOM 780 O LYS A 54 11.861 25.311 -2.849 1.00 0.00 O ATOM 781 CB LYS A 54 12.582 22.718 -0.968 1.00 0.00 C ATOM 782 CG LYS A 54 11.967 21.817 0.088 1.00 0.00 C ATOM 783 CD LYS A 54 12.597 22.046 1.452 1.00 0.00 C ATOM 784 CE LYS A 54 14.003 21.471 1.520 1.00 0.00 C ATOM 785 NZ LYS A 54 14.739 21.945 2.725 1.00 0.00 N ATOM 0 H LYS A 54 11.708 20.965 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 54 10.682 23.368 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.483 22.244 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.891 23.653 -0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.894 22.002 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.095 20.774 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.629 23.115 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.977 21.587 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.950 20.382 1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.555 21.753 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.693 21.531 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.812 22.982 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.226 21.654 3.582 1.00 0.00 H new ATOM 799 N MET A 55 13.138 23.777 -3.886 1.00 0.00 N ATOM 800 CA MET A 55 13.774 24.746 -4.771 1.00 0.00 C ATOM 801 C MET A 55 12.898 25.029 -5.987 1.00 0.00 C ATOM 802 O MET A 55 12.962 26.110 -6.572 1.00 0.00 O ATOM 803 CB MET A 55 15.144 24.234 -5.223 1.00 0.00 C ATOM 804 CG MET A 55 15.908 23.501 -4.134 1.00 0.00 C ATOM 805 SD MET A 55 17.695 23.685 -4.294 1.00 0.00 S ATOM 806 CE MET A 55 17.959 23.002 -5.929 1.00 0.00 C ATOM 0 H MET A 55 13.452 22.816 -4.017 1.00 0.00 H new ATOM 0 HA MET A 55 13.906 25.675 -4.216 1.00 0.00 H new ATOM 0 HB2 MET A 55 15.010 23.566 -6.074 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.741 25.077 -5.570 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.594 23.876 -3.160 1.00 0.00 H new ATOM 0 HG3 MET A 55 15.652 22.442 -4.166 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.513 22.067 -5.848 1.00 0.00 H new ATOM 0 HE2 MET A 55 16.996 22.813 -6.404 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.528 23.710 -6.531 1.00 0.00 H new ATOM 816 N ALA A 56 12.079 24.052 -6.362 1.00 0.00 N ATOM 817 CA ALA A 56 11.189 24.197 -7.507 1.00 0.00 C ATOM 818 C ALA A 56 10.090 25.215 -7.222 1.00 0.00 C ATOM 819 O ALA A 56 9.829 26.106 -8.031 1.00 0.00 O ATOM 820 CB ALA A 56 10.582 22.852 -7.878 1.00 0.00 C ATOM 0 H ALA A 56 12.014 23.151 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 56 11.777 24.562 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.920 22.976 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.377 22.152 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.014 22.464 -7.033 1.00 0.00 H new ATOM 826 N LYS A 57 9.448 25.077 -6.067 1.00 0.00 N ATOM 827 CA LYS A 57 8.377 25.985 -5.673 1.00 0.00 C ATOM 828 C LYS A 57 8.841 27.436 -5.741 1.00 0.00 C ATOM 829 O LYS A 57 8.174 28.284 -6.333 1.00 0.00 O ATOM 830 CB LYS A 57 7.897 25.657 -4.258 1.00 0.00 C ATOM 831 CG LYS A 57 6.971 24.455 -4.192 1.00 0.00 C ATOM 832 CD LYS A 57 6.707 24.031 -2.757 1.00 0.00 C ATOM 833 CE LYS A 57 7.738 23.021 -2.276 1.00 0.00 C ATOM 834 NZ LYS A 57 7.622 22.764 -0.814 1.00 0.00 N ATOM 0 H LYS A 57 9.651 24.344 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 57 7.549 25.854 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.764 25.472 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.381 26.525 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.027 24.695 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.413 23.624 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.724 24.907 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.709 23.598 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.611 22.085 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.739 23.388 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.341 22.071 -0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.768 23.652 -0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.675 22.389 -0.601 1.00 0.00 H new ATOM 848 N ALA A 58 9.988 27.715 -5.131 1.00 0.00 N ATOM 849 CA ALA A 58 10.543 29.062 -5.125 1.00 0.00 C ATOM 850 C ALA A 58 10.656 29.616 -6.542 1.00 0.00 C ATOM 851 O ALA A 58 10.407 30.798 -6.778 1.00 0.00 O ATOM 852 CB ALA A 58 11.903 29.071 -4.443 1.00 0.00 C ATOM 0 H ALA A 58 10.551 27.025 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 58 9.864 29.705 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.305 30.084 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.797 28.726 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.583 28.409 -4.979 1.00 0.00 H new ATOM 858 N ILE A 59 11.034 28.754 -7.480 1.00 0.00 N ATOM 859 CA ILE A 59 11.179 29.157 -8.873 1.00 0.00 C ATOM 860 C ILE A 59 9.837 29.566 -9.470 1.00 0.00 C ATOM 861 O ILE A 59 9.752 30.530 -10.230 1.00 0.00 O ATOM 862 CB ILE A 59 11.785 28.027 -9.726 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.198 27.695 -9.243 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.801 28.423 -11.195 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.675 26.324 -9.668 1.00 0.00 C ATOM 0 H ILE A 59 11.245 27.772 -7.300 1.00 0.00 H new ATOM 0 HA ILE A 59 11.855 30.012 -8.885 1.00 0.00 H new ATOM 0 HB ILE A 59 11.166 27.137 -9.616 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.890 28.446 -9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.226 27.760 -8.155 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.232 27.614 -11.785 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.782 28.614 -11.531 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.400 29.324 -11.322 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.684 26.157 -9.291 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.006 25.564 -9.264 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.680 26.262 -10.756 1.00 0.00 H new ATOM 877 N MET A 60 8.790 28.827 -9.119 1.00 0.00 N ATOM 878 CA MET A 60 7.450 29.115 -9.618 1.00 0.00 C ATOM 879 C MET A 60 7.136 30.603 -9.505 1.00 0.00 C ATOM 880 O MET A 60 6.449 31.168 -10.355 1.00 0.00 O ATOM 881 CB MET A 60 6.409 28.302 -8.845 1.00 0.00 C ATOM 882 CG MET A 60 6.673 26.805 -8.860 1.00 0.00 C ATOM 883 SD MET A 60 5.438 25.873 -7.936 1.00 0.00 S ATOM 884 CE MET A 60 4.709 24.888 -9.243 1.00 0.00 C ATOM 0 H MET A 60 8.843 28.025 -8.491 1.00 0.00 H new ATOM 0 HA MET A 60 7.413 28.833 -10.670 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.384 28.648 -7.812 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.423 28.493 -9.269 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.691 26.453 -9.892 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.659 26.610 -8.440 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.291 23.974 -8.820 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.917 25.458 -9.730 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.474 24.632 -9.976 1.00 0.00 H new ATOM 894 N ALA A 61 7.643 31.232 -8.450 1.00 0.00 N ATOM 895 CA ALA A 61 7.418 32.655 -8.228 1.00 0.00 C ATOM 896 C ALA A 61 8.475 33.496 -8.936 1.00 0.00 C ATOM 897 O ALA A 61 8.183 34.180 -9.917 1.00 0.00 O ATOM 898 CB ALA A 61 7.409 32.962 -6.737 1.00 0.00 C ATOM 0 H ALA A 61 8.212 30.778 -7.735 1.00 0.00 H new ATOM 0 HA ALA A 61 6.445 32.913 -8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.240 34.028 -6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.612 32.396 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.368 32.682 -6.302 1.00 0.00 H new ATOM 904 N ASP A 62 9.703 33.440 -8.432 1.00 0.00 N ATOM 905 CA ASP A 62 10.804 34.196 -9.017 1.00 0.00 C ATOM 906 C ASP A 62 11.554 33.356 -10.047 1.00 0.00 C ATOM 907 O ASP A 62 12.116 32.306 -9.737 1.00 0.00 O ATOM 908 CB ASP A 62 11.767 34.665 -7.925 1.00 0.00 C ATOM 909 CG ASP A 62 11.102 35.590 -6.925 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.665 36.687 -7.331 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.018 35.217 -5.736 1.00 0.00 O ATOM 0 H ASP A 62 9.961 32.879 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 62 10.386 35.068 -9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.169 33.797 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.611 35.179 -8.385 1.00 0.00 H new ATOM 916 N PRO A 63 11.562 33.828 -11.303 1.00 0.00 N ATOM 917 CA PRO A 63 12.238 33.135 -12.404 1.00 0.00 C ATOM 918 C PRO A 63 13.757 33.181 -12.272 1.00 0.00 C ATOM 919 O PRO A 63 14.440 32.186 -12.510 1.00 0.00 O ATOM 920 CB PRO A 63 11.785 33.911 -13.643 1.00 0.00 C ATOM 921 CG PRO A 63 11.448 35.271 -13.136 1.00 0.00 C ATOM 922 CD PRO A 63 10.912 35.073 -11.744 1.00 0.00 C ATOM 0 HA PRO A 63 11.987 32.075 -12.433 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.574 33.953 -14.394 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.922 33.438 -14.113 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.328 35.914 -13.127 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.708 35.753 -13.774 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.164 35.910 -11.093 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.826 34.982 -11.741 1.00 0.00 H new ATOM 930 N ASN A 64 14.278 34.343 -11.892 1.00 0.00 N ATOM 931 CA ASN A 64 15.716 34.519 -11.729 1.00 0.00 C ATOM 932 C ASN A 64 16.298 33.433 -10.828 1.00 0.00 C ATOM 933 O ASN A 64 17.500 33.165 -10.857 1.00 0.00 O ATOM 934 CB ASN A 64 16.020 35.899 -11.143 1.00 0.00 C ATOM 935 CG ASN A 64 15.180 36.993 -11.775 1.00 0.00 C ATOM 936 OD1 ASN A 64 13.954 36.993 -11.661 1.00 0.00 O ATOM 937 ND2 ASN A 64 15.838 37.931 -12.446 1.00 0.00 N ATOM 0 H ASN A 64 13.726 35.177 -11.691 1.00 0.00 H new ATOM 0 HA ASN A 64 16.180 34.439 -12.712 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.840 35.882 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.076 36.127 -11.286 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.327 38.692 -12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.855 37.891 -12.514 1.00 0.00 H new ATOM 944 N LYS A 65 15.438 32.810 -10.030 1.00 0.00 N ATOM 945 CA LYS A 65 15.864 31.752 -9.122 1.00 0.00 C ATOM 946 C LYS A 65 16.214 30.483 -9.892 1.00 0.00 C ATOM 947 O LYS A 65 17.147 29.765 -9.532 1.00 0.00 O ATOM 948 CB LYS A 65 14.764 31.454 -8.101 1.00 0.00 C ATOM 949 CG LYS A 65 14.595 32.542 -7.054 1.00 0.00 C ATOM 950 CD LYS A 65 15.592 32.383 -5.919 1.00 0.00 C ATOM 951 CE LYS A 65 16.955 32.947 -6.291 1.00 0.00 C ATOM 952 NZ LYS A 65 17.688 33.458 -5.100 1.00 0.00 N ATOM 0 H LYS A 65 14.440 33.020 -9.994 1.00 0.00 H new ATOM 0 HA LYS A 65 16.755 32.095 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.819 31.318 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.989 30.512 -7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.725 33.519 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.581 32.511 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.217 32.891 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.691 31.328 -5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.548 32.173 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.829 33.753 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.612 33.834 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.134 34.215 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.831 32.683 -4.421 1.00 0.00 H new ATOM 966 N ALA A 66 15.462 30.213 -10.954 1.00 0.00 N ATOM 967 CA ALA A 66 15.696 29.033 -11.776 1.00 0.00 C ATOM 968 C ALA A 66 17.170 28.906 -12.148 1.00 0.00 C ATOM 969 O ALA A 66 17.827 27.928 -11.793 1.00 0.00 O ATOM 970 CB ALA A 66 14.836 29.084 -13.030 1.00 0.00 C ATOM 0 H ALA A 66 14.685 30.796 -11.265 1.00 0.00 H new ATOM 0 HA ALA A 66 15.418 28.154 -11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.021 28.196 -13.635 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.784 29.118 -12.748 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.086 29.974 -13.607 1.00 0.00 H new ATOM 976 N ASP A 67 17.681 29.901 -12.865 1.00 0.00 N ATOM 977 CA ASP A 67 19.078 29.900 -13.285 1.00 0.00 C ATOM 978 C ASP A 67 19.978 29.358 -12.179 1.00 0.00 C ATOM 979 O ASP A 67 20.797 28.470 -12.413 1.00 0.00 O ATOM 980 CB ASP A 67 19.517 31.314 -13.669 1.00 0.00 C ATOM 981 CG ASP A 67 19.238 31.632 -15.125 1.00 0.00 C ATOM 982 OD1 ASP A 67 20.053 31.239 -15.986 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.203 32.272 -15.404 1.00 0.00 O ATOM 0 H ASP A 67 17.150 30.718 -13.167 1.00 0.00 H new ATOM 0 HA ASP A 67 19.170 29.250 -14.155 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.000 32.036 -13.037 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.584 31.426 -13.474 1.00 0.00 H new ATOM 988 N GLU A 68 19.819 29.898 -10.975 1.00 0.00 N ATOM 989 CA GLU A 68 20.619 29.469 -9.834 1.00 0.00 C ATOM 990 C GLU A 68 20.316 28.017 -9.473 1.00 0.00 C ATOM 991 O GLU A 68 21.220 27.187 -9.380 1.00 0.00 O ATOM 992 CB GLU A 68 20.354 30.372 -8.628 1.00 0.00 C ATOM 993 CG GLU A 68 21.147 29.985 -7.391 1.00 0.00 C ATOM 994 CD GLU A 68 22.613 30.360 -7.497 1.00 0.00 C ATOM 995 OE1 GLU A 68 23.392 29.555 -8.048 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.980 31.457 -7.028 1.00 0.00 O ATOM 0 H GLU A 68 19.144 30.633 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 68 21.671 29.545 -10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.594 31.401 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.290 30.344 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.713 30.473 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.061 28.910 -7.231 1.00 0.00 H new ATOM 1003 N VAL A 69 19.036 27.720 -9.268 1.00 0.00 N ATOM 1004 CA VAL A 69 18.612 26.370 -8.917 1.00 0.00 C ATOM 1005 C VAL A 69 19.187 25.343 -9.887 1.00 0.00 C ATOM 1006 O VAL A 69 19.949 24.460 -9.494 1.00 0.00 O ATOM 1007 CB VAL A 69 17.077 26.248 -8.908 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.657 24.805 -8.675 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.477 27.164 -7.852 1.00 0.00 C ATOM 0 H VAL A 69 18.276 28.396 -9.339 1.00 0.00 H new ATOM 0 HA VAL A 69 18.991 26.170 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 69 16.699 26.558 -9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.569 24.739 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.057 24.177 -9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.044 24.464 -7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.391 27.065 -7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.860 26.887 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.749 28.197 -8.069 1.00 0.00 H new ATOM 1019 N TYR A 70 18.816 25.466 -11.157 1.00 0.00 N ATOM 1020 CA TYR A 70 19.293 24.548 -12.185 1.00 0.00 C ATOM 1021 C TYR A 70 20.737 24.134 -11.918 1.00 0.00 C ATOM 1022 O TYR A 70 21.060 22.946 -11.889 1.00 0.00 O ATOM 1023 CB TYR A 70 19.183 25.194 -13.567 1.00 0.00 C ATOM 1024 CG TYR A 70 17.761 25.493 -13.984 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.741 24.579 -13.748 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.437 26.687 -14.615 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.440 24.847 -14.128 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.139 26.964 -14.997 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.144 26.041 -14.752 1.00 0.00 C ATOM 1030 OH TYR A 70 13.850 26.313 -15.133 1.00 0.00 O ATOM 0 H TYR A 70 18.187 26.192 -11.499 1.00 0.00 H new ATOM 0 HA TYR A 70 18.667 23.656 -12.158 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.757 26.121 -13.572 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.638 24.533 -14.305 1.00 0.00 H new ATOM 0 HD1 TYR A 70 16.969 23.643 -13.259 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.214 27.412 -14.810 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.659 24.126 -13.938 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.904 27.898 -15.485 1.00 0.00 H new ATOM 0 HH TYR A 70 13.354 25.473 -15.231 1.00 0.00 H new ATOM 1040 N LYS A 71 21.602 25.123 -11.722 1.00 0.00 N ATOM 1041 CA LYS A 71 23.012 24.865 -11.455 1.00 0.00 C ATOM 1042 C LYS A 71 23.181 24.003 -10.208 1.00 0.00 C ATOM 1043 O LYS A 71 23.938 23.032 -10.210 1.00 0.00 O ATOM 1044 CB LYS A 71 23.770 26.184 -11.283 1.00 0.00 C ATOM 1045 CG LYS A 71 24.038 26.906 -12.591 1.00 0.00 C ATOM 1046 CD LYS A 71 24.417 28.359 -12.358 1.00 0.00 C ATOM 1047 CE LYS A 71 25.904 28.508 -12.075 1.00 0.00 C ATOM 1048 NZ LYS A 71 26.705 28.570 -13.329 1.00 0.00 N ATOM 0 H LYS A 71 21.351 26.111 -11.743 1.00 0.00 H new ATOM 0 HA LYS A 71 23.424 24.325 -12.307 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.198 26.839 -10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.720 25.986 -10.786 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.841 26.401 -13.128 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.151 26.857 -13.223 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.151 28.951 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.844 28.756 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 71 26.073 29.413 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 71 26.244 27.669 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 27.713 28.672 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 26.564 27.696 -13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 26.399 29.386 -13.897 1.00 0.00 H new ATOM 1062 N LYS A 72 22.470 24.363 -9.145 1.00 0.00 N ATOM 1063 CA LYS A 72 22.539 23.621 -7.891 1.00 0.00 C ATOM 1064 C LYS A 72 22.283 22.135 -8.124 1.00 0.00 C ATOM 1065 O LYS A 72 23.102 21.291 -7.759 1.00 0.00 O ATOM 1066 CB LYS A 72 21.521 24.174 -6.892 1.00 0.00 C ATOM 1067 CG LYS A 72 21.846 25.576 -6.405 1.00 0.00 C ATOM 1068 CD LYS A 72 21.133 25.893 -5.101 1.00 0.00 C ATOM 1069 CE LYS A 72 19.766 26.512 -5.349 1.00 0.00 C ATOM 1070 NZ LYS A 72 19.329 27.367 -4.211 1.00 0.00 N ATOM 0 H LYS A 72 21.839 25.164 -9.126 1.00 0.00 H new ATOM 0 HA LYS A 72 23.542 23.739 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.535 24.179 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.466 23.504 -6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.923 25.673 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.557 26.302 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.019 24.980 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.741 26.577 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.798 27.109 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.033 25.721 -5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.393 27.770 -4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.274 26.792 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.014 28.137 -4.072 1.00 0.00 H new ATOM 1084 N TRP A 73 21.145 21.824 -8.733 1.00 0.00 N ATOM 1085 CA TRP A 73 20.784 20.439 -9.015 1.00 0.00 C ATOM 1086 C TRP A 73 21.903 19.726 -9.765 1.00 0.00 C ATOM 1087 O TRP A 73 22.254 18.592 -9.443 1.00 0.00 O ATOM 1088 CB TRP A 73 19.491 20.384 -9.830 1.00 0.00 C ATOM 1089 CG TRP A 73 18.272 20.744 -9.036 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.067 20.524 -7.703 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.089 21.385 -9.525 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.828 20.991 -7.335 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.209 21.524 -8.434 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.688 21.858 -10.777 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.954 22.114 -8.560 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.442 22.442 -10.901 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.587 22.567 -9.798 1.00 0.00 C ATOM 0 H TRP A 73 20.457 22.511 -9.041 1.00 0.00 H new ATOM 0 HA TRP A 73 20.628 19.929 -8.064 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.576 21.062 -10.679 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.368 19.380 -10.235 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.774 20.053 -7.037 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.433 20.948 -6.395 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.341 21.769 -11.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.294 22.211 -7.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.121 22.809 -11.865 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.620 23.030 -9.927 1.00 0.00 H new ATOM 1108 N ALA A 74 22.460 20.399 -10.767 1.00 0.00 N ATOM 1109 CA ALA A 74 23.542 19.830 -11.561 1.00 0.00 C ATOM 1110 C ALA A 74 24.705 19.396 -10.674 1.00 0.00 C ATOM 1111 O ALA A 74 25.234 18.295 -10.823 1.00 0.00 O ATOM 1112 CB ALA A 74 24.015 20.832 -12.603 1.00 0.00 C ATOM 0 H ALA A 74 22.180 21.339 -11.048 1.00 0.00 H new ATOM 0 HA ALA A 74 23.159 18.946 -12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.823 20.394 -13.189 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.187 21.089 -13.263 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.375 21.732 -12.105 1.00 0.00 H new ATOM 1118 N ASP A 75 25.097 20.269 -9.753 1.00 0.00 N ATOM 1119 CA ASP A 75 26.198 19.977 -8.842 1.00 0.00 C ATOM 1120 C ASP A 75 25.844 18.816 -7.918 1.00 0.00 C ATOM 1121 O ASP A 75 26.635 17.891 -7.734 1.00 0.00 O ATOM 1122 CB ASP A 75 26.547 21.215 -8.015 1.00 0.00 C ATOM 1123 CG ASP A 75 28.001 21.234 -7.587 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.847 21.697 -8.381 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.292 20.788 -6.458 1.00 0.00 O ATOM 0 H ASP A 75 24.669 21.185 -9.617 1.00 0.00 H new ATOM 0 HA ASP A 75 27.065 19.693 -9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.331 22.110 -8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.910 21.249 -7.131 1.00 0.00 H new ATOM 1130 N LYS A 76 24.650 18.871 -7.337 1.00 0.00 N ATOM 1131 CA LYS A 76 24.190 17.825 -6.432 1.00 0.00 C ATOM 1132 C LYS A 76 24.450 16.442 -7.021 1.00 0.00 C ATOM 1133 O LYS A 76 24.980 15.560 -6.347 1.00 0.00 O ATOM 1134 CB LYS A 76 22.697 17.994 -6.141 1.00 0.00 C ATOM 1135 CG LYS A 76 22.360 19.289 -5.422 1.00 0.00 C ATOM 1136 CD LYS A 76 22.756 19.233 -3.956 1.00 0.00 C ATOM 1137 CE LYS A 76 21.624 18.699 -3.093 1.00 0.00 C ATOM 1138 NZ LYS A 76 21.950 18.773 -1.642 1.00 0.00 N ATOM 0 H LYS A 76 23.983 19.630 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 76 24.748 17.915 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.146 17.956 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.356 17.153 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.873 20.119 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.291 19.484 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.634 18.598 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.036 20.230 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.716 19.269 -3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.416 17.664 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.153 18.400 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.801 18.208 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.123 19.763 -1.375 1.00 0.00 H new ATOM 1152 N GLY A 77 24.074 16.261 -8.283 1.00 0.00 N ATOM 1153 CA GLY A 77 24.277 14.984 -8.942 1.00 0.00 C ATOM 1154 C GLY A 77 22.987 14.399 -9.482 1.00 0.00 C ATOM 1155 O GLY A 77 22.748 13.196 -9.371 1.00 0.00 O ATOM 0 H GLY A 77 23.632 16.976 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.986 15.110 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.724 14.282 -8.238 1.00 0.00 H new ATOM 1159 N TYR A 78 22.153 15.251 -10.067 1.00 0.00 N ATOM 1160 CA TYR A 78 20.878 14.813 -10.623 1.00 0.00 C ATOM 1161 C TYR A 78 20.967 14.663 -12.138 1.00 0.00 C ATOM 1162 O TYR A 78 21.996 14.963 -12.745 1.00 0.00 O ATOM 1163 CB TYR A 78 19.772 15.805 -10.261 1.00 0.00 C ATOM 1164 CG TYR A 78 19.572 15.973 -8.772 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.244 14.887 -7.969 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.709 17.217 -8.168 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.060 15.036 -6.608 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.528 17.374 -6.808 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.203 16.281 -6.032 1.00 0.00 C ATOM 1170 OH TYR A 78 19.021 16.434 -4.677 1.00 0.00 O ATOM 0 H TYR A 78 22.337 16.249 -10.169 1.00 0.00 H new ATOM 0 HA TYR A 78 20.639 13.840 -10.194 1.00 0.00 H new ATOM 0 HB2 TYR A 78 20.008 16.775 -10.699 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.836 15.472 -10.709 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.131 13.911 -8.416 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.961 18.076 -8.773 1.00 0.00 H new ATOM 0 HE1 TYR A 78 18.805 14.182 -5.998 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.640 18.348 -6.354 1.00 0.00 H new ATOM 0 HH TYR A 78 19.160 17.373 -4.432 1.00 0.00 H new ATOM 1180 N THR A 79 19.880 14.197 -12.745 1.00 0.00 N ATOM 1181 CA THR A 79 19.833 14.006 -14.190 1.00 0.00 C ATOM 1182 C THR A 79 18.396 13.883 -14.682 1.00 0.00 C ATOM 1183 O THR A 79 17.503 13.490 -13.930 1.00 0.00 O ATOM 1184 CB THR A 79 20.620 12.752 -14.616 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.626 12.640 -16.044 1.00 0.00 O ATOM 1186 CG2 THR A 79 20.011 11.498 -14.007 1.00 0.00 C ATOM 0 H THR A 79 19.020 13.945 -12.258 1.00 0.00 H new ATOM 0 HA THR A 79 20.293 14.885 -14.641 1.00 0.00 H new ATOM 0 HB THR A 79 21.644 12.852 -14.255 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.130 11.842 -16.307 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.584 10.626 -14.322 1.00 0.00 H new ATOM 0 HG22 THR A 79 20.033 11.574 -12.920 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.979 11.395 -14.342 1.00 0.00 H new ATOM 1194 N LEU A 80 18.178 14.220 -15.948 1.00 0.00 N ATOM 1195 CA LEU A 80 16.848 14.146 -16.542 1.00 0.00 C ATOM 1196 C LEU A 80 16.062 12.969 -15.972 1.00 0.00 C ATOM 1197 O LEU A 80 14.876 13.091 -15.662 1.00 0.00 O ATOM 1198 CB LEU A 80 16.953 14.015 -18.062 1.00 0.00 C ATOM 1199 CG LEU A 80 17.495 15.237 -18.805 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.588 14.957 -20.297 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.618 16.453 -18.543 1.00 0.00 C ATOM 0 H LEU A 80 18.906 14.547 -16.583 1.00 0.00 H new ATOM 0 HA LEU A 80 16.317 15.066 -16.299 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.593 13.163 -18.290 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.963 13.785 -18.456 1.00 0.00 H new ATOM 0 HG LEU A 80 18.497 15.449 -18.433 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.976 15.838 -20.809 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.257 14.114 -20.468 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.598 14.718 -20.685 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.019 17.313 -19.080 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.604 16.251 -18.887 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.603 16.667 -17.474 1.00 0.00 H new ATOM 1213 N THR A 81 16.731 11.829 -15.834 1.00 0.00 N ATOM 1214 CA THR A 81 16.096 10.630 -15.300 1.00 0.00 C ATOM 1215 C THR A 81 15.641 10.843 -13.861 1.00 0.00 C ATOM 1216 O THR A 81 14.462 10.688 -13.544 1.00 0.00 O ATOM 1217 CB THR A 81 17.048 9.420 -15.352 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.480 9.194 -16.698 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.364 8.171 -14.817 1.00 0.00 C ATOM 0 H THR A 81 17.713 11.710 -16.085 1.00 0.00 H new ATOM 0 HA THR A 81 15.227 10.427 -15.926 1.00 0.00 H new ATOM 0 HB THR A 81 17.913 9.638 -14.726 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.086 8.424 -16.722 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.055 7.329 -14.863 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.062 8.336 -13.783 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.484 7.951 -15.421 1.00 0.00 H new ATOM 1227 N GLN A 82 16.584 11.200 -12.994 1.00 0.00 N ATOM 1228 CA GLN A 82 16.278 11.434 -11.588 1.00 0.00 C ATOM 1229 C GLN A 82 15.411 12.677 -11.419 1.00 0.00 C ATOM 1230 O GLN A 82 14.305 12.607 -10.883 1.00 0.00 O ATOM 1231 CB GLN A 82 17.569 11.585 -10.782 1.00 0.00 C ATOM 1232 CG GLN A 82 18.409 10.319 -10.735 1.00 0.00 C ATOM 1233 CD GLN A 82 19.418 10.329 -9.603 1.00 0.00 C ATOM 1234 OE1 GLN A 82 20.601 10.595 -9.814 1.00 0.00 O ATOM 1235 NE2 GLN A 82 18.954 10.039 -8.393 1.00 0.00 N ATOM 0 H GLN A 82 17.565 11.333 -13.241 1.00 0.00 H new ATOM 0 HA GLN A 82 15.723 10.573 -11.215 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.164 12.390 -11.213 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.319 11.883 -9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.753 9.456 -10.624 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.934 10.200 -11.683 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.965 9.824 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.586 10.031 -7.593 1.00 0.00 H new ATOM 1244 N MET A 83 15.921 13.815 -11.879 1.00 0.00 N ATOM 1245 CA MET A 83 15.191 15.074 -11.779 1.00 0.00 C ATOM 1246 C MET A 83 13.733 14.891 -12.185 1.00 0.00 C ATOM 1247 O MET A 83 12.827 15.046 -11.367 1.00 0.00 O ATOM 1248 CB MET A 83 15.848 16.140 -12.659 1.00 0.00 C ATOM 1249 CG MET A 83 15.070 17.444 -12.718 1.00 0.00 C ATOM 1250 SD MET A 83 14.959 18.259 -11.114 1.00 0.00 S ATOM 1251 CE MET A 83 16.691 18.546 -10.760 1.00 0.00 C ATOM 0 H MET A 83 16.836 13.891 -12.324 1.00 0.00 H new ATOM 0 HA MET A 83 15.221 15.401 -10.740 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.851 16.342 -12.283 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.959 15.747 -13.670 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.548 18.116 -13.430 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.065 17.247 -13.091 1.00 0.00 H new ATOM 0 HE1 MET A 83 16.803 18.863 -9.723 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.253 17.626 -10.920 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.073 19.324 -11.421 1.00 0.00 H new ATOM 1261 N SER A 84 13.513 14.562 -13.454 1.00 0.00 N ATOM 1262 CA SER A 84 12.163 14.362 -13.970 1.00 0.00 C ATOM 1263 C SER A 84 11.373 13.418 -13.069 1.00 0.00 C ATOM 1264 O SER A 84 10.228 13.695 -12.715 1.00 0.00 O ATOM 1265 CB SER A 84 12.216 13.804 -15.393 1.00 0.00 C ATOM 1266 OG SER A 84 10.986 14.008 -16.066 1.00 0.00 O ATOM 0 H SER A 84 14.252 14.428 -14.144 1.00 0.00 H new ATOM 0 HA SER A 84 11.659 15.328 -13.986 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.022 14.286 -15.947 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.445 12.739 -15.361 1.00 0.00 H new ATOM 0 HG SER A 84 11.046 13.644 -16.974 1.00 0.00 H new ATOM 1272 N ASN A 85 11.993 12.301 -12.704 1.00 0.00 N ATOM 1273 CA ASN A 85 11.348 11.314 -11.845 1.00 0.00 C ATOM 1274 C ASN A 85 10.864 11.955 -10.548 1.00 0.00 C ATOM 1275 O ASN A 85 9.995 11.415 -9.862 1.00 0.00 O ATOM 1276 CB ASN A 85 12.315 10.170 -11.532 1.00 0.00 C ATOM 1277 CG ASN A 85 12.229 9.047 -12.548 1.00 0.00 C ATOM 1278 OD1 ASN A 85 11.504 9.144 -13.538 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.971 7.972 -12.305 1.00 0.00 N ATOM 0 H ASN A 85 12.941 12.056 -12.989 1.00 0.00 H new ATOM 0 HA ASN A 85 10.484 10.915 -12.377 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.334 10.556 -11.506 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.098 9.776 -10.539 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.954 7.184 -12.952 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.558 7.935 -11.471 1.00 0.00 H new ATOM 1286 N PHE A 86 11.432 13.110 -10.217 1.00 0.00 N ATOM 1287 CA PHE A 86 11.059 13.825 -9.002 1.00 0.00 C ATOM 1288 C PHE A 86 10.015 14.898 -9.301 1.00 0.00 C ATOM 1289 O PHE A 86 8.914 14.879 -8.750 1.00 0.00 O ATOM 1290 CB PHE A 86 12.293 14.463 -8.362 1.00 0.00 C ATOM 1291 CG PHE A 86 13.339 13.466 -7.953 1.00 0.00 C ATOM 1292 CD1 PHE A 86 12.988 12.317 -7.262 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.674 13.678 -8.258 1.00 0.00 C ATOM 1294 CE1 PHE A 86 13.948 11.397 -6.885 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.638 12.761 -7.883 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.275 11.620 -7.195 1.00 0.00 C ATOM 0 H PHE A 86 12.152 13.571 -10.773 1.00 0.00 H new ATOM 0 HA PHE A 86 10.627 13.107 -8.305 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.732 15.171 -9.065 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.984 15.034 -7.486 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.952 12.138 -7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.964 14.569 -8.794 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.661 10.505 -6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.675 12.937 -8.128 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.027 10.904 -6.900 1.00 0.00 H new ATOM 1306 N LEU A 87 10.370 15.832 -10.177 1.00 0.00 N ATOM 1307 CA LEU A 87 9.465 16.914 -10.550 1.00 0.00 C ATOM 1308 C LEU A 87 8.146 16.362 -11.080 1.00 0.00 C ATOM 1309 O LEU A 87 7.070 16.845 -10.724 1.00 0.00 O ATOM 1310 CB LEU A 87 10.117 17.810 -11.604 1.00 0.00 C ATOM 1311 CG LEU A 87 11.147 18.815 -11.087 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.848 19.504 -12.247 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.483 19.838 -10.178 1.00 0.00 C ATOM 0 H LEU A 87 11.277 15.862 -10.642 1.00 0.00 H new ATOM 0 HA LEU A 87 9.258 17.505 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.601 17.173 -12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.331 18.360 -12.121 1.00 0.00 H new ATOM 0 HG LEU A 87 11.895 18.275 -10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.577 20.216 -11.860 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.357 18.759 -12.859 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.113 20.032 -12.855 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.231 20.545 -9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.714 20.374 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.028 19.329 -9.328 1.00 0.00 H new ATOM 1325 N LYS A 88 8.235 15.346 -11.931 1.00 0.00 N ATOM 1326 CA LYS A 88 7.049 14.724 -12.509 1.00 0.00 C ATOM 1327 C LYS A 88 5.958 14.552 -11.457 1.00 0.00 C ATOM 1328 O LYS A 88 4.777 14.764 -11.733 1.00 0.00 O ATOM 1329 CB LYS A 88 7.405 13.366 -13.117 1.00 0.00 C ATOM 1330 CG LYS A 88 7.677 12.288 -12.082 1.00 0.00 C ATOM 1331 CD LYS A 88 7.777 10.913 -12.721 1.00 0.00 C ATOM 1332 CE LYS A 88 7.734 9.809 -11.676 1.00 0.00 C ATOM 1333 NZ LYS A 88 8.446 8.584 -12.134 1.00 0.00 N ATOM 0 H LYS A 88 9.117 14.935 -12.236 1.00 0.00 H new ATOM 0 HA LYS A 88 6.672 15.379 -13.295 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.589 13.041 -13.762 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.285 13.480 -13.750 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.604 12.514 -11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.880 12.287 -11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.958 10.779 -13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.704 10.841 -13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.185 10.167 -10.751 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.696 9.563 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.572 7.935 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.887 8.114 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.377 8.846 -12.517 1.00 0.00 H new ATOM 1433 N TYR A 95 5.297 20.240 -12.674 1.00 0.00 N ATOM 1434 CA TYR A 95 6.467 21.095 -12.835 1.00 0.00 C ATOM 1435 C TYR A 95 6.996 21.032 -14.264 1.00 0.00 C ATOM 1436 O TYR A 95 8.029 20.418 -14.529 1.00 0.00 O ATOM 1437 CB TYR A 95 7.565 20.681 -11.854 1.00 0.00 C ATOM 1438 CG TYR A 95 7.214 20.941 -10.407 1.00 0.00 C ATOM 1439 CD1 TYR A 95 7.107 22.239 -9.920 1.00 0.00 C ATOM 1440 CD2 TYR A 95 6.991 19.891 -9.525 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.787 22.482 -8.598 1.00 0.00 C ATOM 1442 CE2 TYR A 95 6.670 20.124 -8.202 1.00 0.00 C ATOM 1443 CZ TYR A 95 6.569 21.421 -7.744 1.00 0.00 C ATOM 1444 OH TYR A 95 6.250 21.658 -6.426 1.00 0.00 O ATOM 0 HA TYR A 95 6.167 22.121 -12.623 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.774 19.619 -11.983 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.481 21.219 -12.099 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.277 23.072 -10.587 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.070 18.874 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.708 23.496 -8.236 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.499 19.296 -7.530 1.00 0.00 H new ATOM 0 HH TYR A 95 6.128 20.804 -5.960 1.00 0.00 H new ATOM 1454 N ASP A 96 6.279 21.671 -15.182 1.00 0.00 N ATOM 1455 CA ASP A 96 6.675 21.691 -16.585 1.00 0.00 C ATOM 1456 C ASP A 96 7.624 22.852 -16.866 1.00 0.00 C ATOM 1457 O ASP A 96 8.704 22.663 -17.426 1.00 0.00 O ATOM 1458 CB ASP A 96 5.442 21.794 -17.484 1.00 0.00 C ATOM 1459 CG ASP A 96 5.766 21.533 -18.942 1.00 0.00 C ATOM 1460 OD1 ASP A 96 6.940 21.704 -19.329 1.00 0.00 O ATOM 1461 OD2 ASP A 96 4.843 21.160 -19.697 1.00 0.00 O ATOM 0 H ASP A 96 5.420 22.182 -14.979 1.00 0.00 H new ATOM 0 HA ASP A 96 7.196 20.759 -16.803 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.690 21.080 -17.148 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.005 22.787 -17.384 1.00 0.00 H new ATOM 1466 N ARG A 97 7.212 24.054 -16.475 1.00 0.00 N ATOM 1467 CA ARG A 97 8.024 25.246 -16.687 1.00 0.00 C ATOM 1468 C ARG A 97 9.406 25.080 -16.063 1.00 0.00 C ATOM 1469 O ARG A 97 10.421 25.403 -16.681 1.00 0.00 O ATOM 1470 CB ARG A 97 7.329 26.474 -16.095 1.00 0.00 C ATOM 1471 CG ARG A 97 8.061 27.778 -16.366 1.00 0.00 C ATOM 1472 CD ARG A 97 7.194 28.982 -16.037 1.00 0.00 C ATOM 1473 NE ARG A 97 5.985 29.026 -16.855 1.00 0.00 N ATOM 1474 CZ ARG A 97 4.966 29.845 -16.617 1.00 0.00 C ATOM 1475 NH1 ARG A 97 5.012 30.685 -15.592 1.00 0.00 N ATOM 1476 NH2 ARG A 97 3.900 29.826 -17.407 1.00 0.00 N ATOM 0 H ARG A 97 6.321 24.228 -16.010 1.00 0.00 H new ATOM 0 HA ARG A 97 8.144 25.387 -17.761 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.320 26.542 -16.503 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.229 26.340 -15.018 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.975 27.813 -15.773 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.359 27.818 -17.414 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.918 28.952 -14.983 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.769 29.895 -16.190 1.00 0.00 H new ATOM 0 HE ARG A 97 5.919 28.394 -17.653 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.831 30.703 -14.984 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.229 31.313 -15.411 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.862 29.182 -18.197 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.118 30.455 -17.224 1.00 0.00 H new ATOM 1490 N VAL A 98 9.439 24.575 -14.834 1.00 0.00 N ATOM 1491 CA VAL A 98 10.696 24.366 -14.126 1.00 0.00 C ATOM 1492 C VAL A 98 11.567 23.341 -14.844 1.00 0.00 C ATOM 1493 O VAL A 98 12.648 23.666 -15.337 1.00 0.00 O ATOM 1494 CB VAL A 98 10.454 23.894 -12.680 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.777 23.641 -11.972 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.620 24.913 -11.920 1.00 0.00 C ATOM 0 H VAL A 98 8.609 24.303 -14.308 1.00 0.00 H new ATOM 0 HA VAL A 98 11.211 25.326 -14.106 1.00 0.00 H new ATOM 0 HB VAL A 98 9.900 22.956 -12.710 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.586 23.308 -10.952 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.334 22.871 -12.506 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.360 24.562 -11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.459 24.563 -10.900 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.144 25.868 -11.897 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.658 25.039 -12.417 1.00 0.00 H new ATOM 1506 N TYR A 99 11.090 22.103 -14.900 1.00 0.00 N ATOM 1507 CA TYR A 99 11.826 21.029 -15.557 1.00 0.00 C ATOM 1508 C TYR A 99 12.400 21.498 -16.890 1.00 0.00 C ATOM 1509 O TYR A 99 13.576 21.287 -17.181 1.00 0.00 O ATOM 1510 CB TYR A 99 10.917 19.819 -15.778 1.00 0.00 C ATOM 1511 CG TYR A 99 11.599 18.670 -16.485 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.571 17.913 -15.844 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.271 18.342 -17.795 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.197 16.862 -16.486 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.891 17.292 -18.444 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.854 16.556 -17.786 1.00 0.00 C ATOM 1517 OH TYR A 99 13.475 15.510 -18.430 1.00 0.00 O ATOM 0 H TYR A 99 10.197 21.818 -14.498 1.00 0.00 H new ATOM 0 HA TYR A 99 12.652 20.740 -14.908 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.547 19.472 -14.813 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.049 20.129 -16.360 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.842 18.150 -14.826 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.519 18.918 -18.314 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.951 16.283 -15.973 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.623 17.049 -19.462 1.00 0.00 H new ATOM 0 HH TYR A 99 13.118 15.427 -19.339 1.00 0.00 H new ATOM 1527 N ASN A 100 11.559 22.137 -17.697 1.00 0.00 N ATOM 1528 CA ASN A 100 11.981 22.638 -19.000 1.00 0.00 C ATOM 1529 C ASN A 100 13.359 23.285 -18.914 1.00 0.00 C ATOM 1530 O ASN A 100 14.317 22.814 -19.526 1.00 0.00 O ATOM 1531 CB ASN A 100 10.963 23.647 -19.536 1.00 0.00 C ATOM 1532 CG ASN A 100 9.785 22.976 -20.215 1.00 0.00 C ATOM 1533 OD1 ASN A 100 9.563 21.775 -20.053 1.00 0.00 O ATOM 1534 ND2 ASN A 100 9.023 23.749 -20.979 1.00 0.00 N ATOM 0 H ASN A 100 10.581 22.320 -17.471 1.00 0.00 H new ATOM 0 HA ASN A 100 12.039 21.792 -19.685 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.601 24.265 -18.714 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.455 24.314 -20.244 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.216 23.353 -21.461 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.245 24.739 -21.084 1.00 0.00 H new ATOM 1541 N GLY A 101 13.452 24.369 -18.149 1.00 0.00 N ATOM 1542 CA GLY A 101 14.717 25.063 -17.996 1.00 0.00 C ATOM 1543 C GLY A 101 15.873 24.115 -17.749 1.00 0.00 C ATOM 1544 O GLY A 101 16.858 24.119 -18.488 1.00 0.00 O ATOM 0 H GLY A 101 12.674 24.779 -17.633 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.917 25.649 -18.893 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.644 25.766 -17.166 1.00 0.00 H new ATOM 1548 N TYR A 102 15.755 23.300 -16.707 1.00 0.00 N ATOM 1549 CA TYR A 102 16.800 22.344 -16.362 1.00 0.00 C ATOM 1550 C TYR A 102 17.294 21.605 -17.602 1.00 0.00 C ATOM 1551 O TYR A 102 18.498 21.505 -17.841 1.00 0.00 O ATOM 1552 CB TYR A 102 16.283 21.342 -15.329 1.00 0.00 C ATOM 1553 CG TYR A 102 17.379 20.553 -14.648 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.450 21.198 -14.040 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.345 19.165 -14.613 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.454 20.482 -13.418 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.344 18.441 -13.991 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.396 19.104 -13.395 1.00 0.00 C ATOM 1559 OH TYR A 102 20.394 18.387 -12.777 1.00 0.00 O ATOM 0 H TYR A 102 14.946 23.282 -16.086 1.00 0.00 H new ATOM 0 HA TYR A 102 17.636 22.897 -15.934 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.708 21.877 -14.573 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.599 20.649 -15.818 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.498 22.277 -14.054 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.523 18.642 -15.080 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.280 20.998 -12.952 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.301 17.362 -13.972 1.00 0.00 H new ATOM 0 HH TYR A 102 20.201 17.429 -12.849 1.00 0.00 H new ATOM 1569 N VAL A 103 16.355 21.089 -18.388 1.00 0.00 N ATOM 1570 CA VAL A 103 16.692 20.361 -19.605 1.00 0.00 C ATOM 1571 C VAL A 103 17.756 21.098 -20.410 1.00 0.00 C ATOM 1572 O VAL A 103 18.872 20.606 -20.581 1.00 0.00 O ATOM 1573 CB VAL A 103 15.452 20.144 -20.492 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.840 19.470 -21.799 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.404 19.326 -19.751 1.00 0.00 C ATOM 0 H VAL A 103 15.354 21.162 -18.204 1.00 0.00 H new ATOM 0 HA VAL A 103 17.082 19.391 -19.295 1.00 0.00 H new ATOM 0 HB VAL A 103 15.021 21.117 -20.728 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.950 19.325 -22.412 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.552 20.098 -22.335 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.297 18.503 -21.588 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.534 19.182 -20.392 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.822 18.356 -19.483 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.104 19.854 -18.846 1.00 0.00 H new ATOM 1585 N ILE A 104 17.404 22.281 -20.902 1.00 0.00 N ATOM 1586 CA ILE A 104 18.329 23.088 -21.688 1.00 0.00 C ATOM 1587 C ILE A 104 19.575 23.438 -20.881 1.00 0.00 C ATOM 1588 O ILE A 104 20.680 23.499 -21.420 1.00 0.00 O ATOM 1589 CB ILE A 104 17.666 24.389 -22.178 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.548 24.073 -23.173 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.702 25.306 -22.810 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.201 23.853 -22.519 1.00 0.00 C ATOM 0 H ILE A 104 16.484 22.702 -20.770 1.00 0.00 H new ATOM 0 HA ILE A 104 18.615 22.488 -22.552 1.00 0.00 H new ATOM 0 HB ILE A 104 17.230 24.903 -21.321 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.466 24.892 -23.888 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.818 23.182 -23.739 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.218 26.221 -23.151 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.467 25.553 -22.074 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.165 24.802 -23.659 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.456 23.634 -23.284 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.266 23.015 -21.825 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.909 24.752 -21.976 1.00 0.00 H new ATOM 1604 N HIS A 105 19.389 23.666 -19.585 1.00 0.00 N ATOM 1605 CA HIS A 105 20.499 24.007 -18.702 1.00 0.00 C ATOM 1606 C HIS A 105 21.573 22.924 -18.734 1.00 0.00 C ATOM 1607 O HIS A 105 22.768 23.220 -18.723 1.00 0.00 O ATOM 1608 CB HIS A 105 19.998 24.202 -17.270 1.00 0.00 C ATOM 1609 CG HIS A 105 21.097 24.266 -16.255 1.00 0.00 C ATOM 1610 ND1 HIS A 105 21.941 25.349 -16.126 1.00 0.00 N ATOM 1611 CD2 HIS A 105 21.486 23.374 -15.314 1.00 0.00 C ATOM 1612 CE1 HIS A 105 22.803 25.119 -15.153 1.00 0.00 C ATOM 1613 NE2 HIS A 105 22.549 23.928 -14.643 1.00 0.00 N ATOM 0 H HIS A 105 18.481 23.621 -19.123 1.00 0.00 H new ATOM 0 HA HIS A 105 20.938 24.940 -19.056 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.414 25.121 -17.220 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.326 23.383 -17.014 1.00 0.00 H new ATOM 0 HD1 HIS A 105 21.905 26.196 -16.694 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.043 22.407 -15.126 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.584 25.791 -14.829 1.00 0.00 H new ATOM 1622 N LEU A 106 21.139 21.669 -18.774 1.00 0.00 N ATOM 1623 CA LEU A 106 22.063 20.541 -18.807 1.00 0.00 C ATOM 1624 C LEU A 106 22.827 20.502 -20.126 1.00 0.00 C ATOM 1625 O LEU A 106 24.024 20.213 -20.154 1.00 0.00 O ATOM 1626 CB LEU A 106 21.304 19.228 -18.606 1.00 0.00 C ATOM 1627 CG LEU A 106 21.147 18.759 -17.159 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.548 17.361 -17.113 1.00 0.00 C ATOM 1629 CD2 LEU A 106 22.487 18.791 -16.439 1.00 0.00 C ATOM 0 H LEU A 106 20.153 21.407 -18.784 1.00 0.00 H new ATOM 0 HA LEU A 106 22.780 20.667 -17.996 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.311 19.335 -19.042 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.816 18.446 -19.167 1.00 0.00 H new ATOM 0 HG LEU A 106 20.467 19.441 -16.648 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.444 17.044 -16.075 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.568 17.369 -17.590 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.203 16.667 -17.640 1.00 0.00 H new ATOM 0 HD21 LEU A 106 22.356 18.454 -15.411 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.190 18.133 -16.950 1.00 0.00 H new ATOM 0 HD23 LEU A 106 22.876 19.809 -16.440 1.00 0.00 H new