USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=17 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 Single : A 49 LYS NZ :NH3+ 174:sc= 0.161 (180deg=0.154) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0186) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -110:sc= -0.067 (180deg=-2.24!) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= -0.758 (180deg=-1.21) USER MOD Single : A 60 MET CE :methyl 149:sc= -0.0334 (180deg=-2.23!) USER MOD Single : A 64 ASN : amide:sc= -0.0877 X(o=-0.088,f=-0.088) USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= -0.919 (180deg=-1.84!) USER MOD Single : A 70 TYR OH : rot -19:sc= -0.0615 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0.857 (180deg=0.795) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= -1.64! (180deg=-4.72!) 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 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.833 K(o=-0.83,f=-2.5!) USER MOD Single : A 83 MET CE :methyl -165:sc= -2.28 (180deg=-3.21!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.119 USER MOD Single : A 85 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.7!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 110:sc= -0.0883 USER MOD Single : A 99 TYR OH : rot 180:sc=-0.00701 USER MOD Single : A 100 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.2) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.744 X(o=-0.74,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 14.077 12.606 1.169 1.00 0.00 N ATOM 664 CA LEU A 47 14.725 13.912 1.181 1.00 0.00 C ATOM 665 C LEU A 47 14.967 14.412 -0.240 1.00 0.00 C ATOM 666 O LEU A 47 14.491 15.481 -0.621 1.00 0.00 O ATOM 667 CB LEU A 47 16.051 13.838 1.940 1.00 0.00 C ATOM 668 CG LEU A 47 15.980 14.115 3.443 1.00 0.00 C ATOM 669 CD1 LEU A 47 17.249 13.641 4.133 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.752 15.597 3.702 1.00 0.00 C ATOM 0 HA LEU A 47 14.063 14.615 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.476 12.845 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.744 14.550 1.492 1.00 0.00 H new ATOM 0 HG LEU A 47 15.137 13.561 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.181 13.846 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.370 12.569 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 47 18.108 14.167 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.704 15.775 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.574 16.172 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.814 15.907 3.241 1.00 0.00 H new ATOM 682 N GLU A 48 15.709 13.631 -1.019 1.00 0.00 N ATOM 683 CA GLU A 48 16.012 13.995 -2.398 1.00 0.00 C ATOM 684 C GLU A 48 14.788 14.593 -3.085 1.00 0.00 C ATOM 685 O GLU A 48 14.824 15.723 -3.572 1.00 0.00 O ATOM 686 CB GLU A 48 16.501 12.772 -3.176 1.00 0.00 C ATOM 687 CG GLU A 48 17.241 13.120 -4.456 1.00 0.00 C ATOM 688 CD GLU A 48 18.268 12.073 -4.840 1.00 0.00 C ATOM 689 OE1 GLU A 48 19.365 12.071 -4.245 1.00 0.00 O ATOM 690 OE2 GLU A 48 17.973 11.254 -5.736 1.00 0.00 O ATOM 0 H GLU A 48 16.111 12.743 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 48 16.801 14.746 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.158 12.183 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.646 12.142 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.522 13.233 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.737 14.083 -4.334 1.00 0.00 H new ATOM 697 N LYS A 49 13.703 13.826 -3.120 1.00 0.00 N ATOM 698 CA LYS A 49 12.466 14.278 -3.745 1.00 0.00 C ATOM 699 C LYS A 49 11.971 15.569 -3.102 1.00 0.00 C ATOM 700 O LYS A 49 11.537 16.491 -3.792 1.00 0.00 O ATOM 701 CB LYS A 49 11.390 13.195 -3.636 1.00 0.00 C ATOM 702 CG LYS A 49 10.172 13.458 -4.504 1.00 0.00 C ATOM 703 CD LYS A 49 9.353 12.196 -4.712 1.00 0.00 C ATOM 704 CE LYS A 49 7.937 12.518 -5.165 1.00 0.00 C ATOM 705 NZ LYS A 49 7.893 12.931 -6.595 1.00 0.00 N ATOM 0 H LYS A 49 13.656 12.888 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 49 12.671 14.473 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.824 12.235 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.074 13.112 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.551 14.223 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.490 13.850 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.839 11.564 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.318 11.626 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.302 11.644 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.529 13.316 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.903 13.043 -6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.394 13.835 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.351 12.204 -7.181 1.00 0.00 H new ATOM 719 N ALA A 50 12.039 15.628 -1.776 1.00 0.00 N ATOM 720 CA ALA A 50 11.601 16.807 -1.040 1.00 0.00 C ATOM 721 C ALA A 50 12.352 18.052 -1.500 1.00 0.00 C ATOM 722 O ALA A 50 11.749 19.011 -1.980 1.00 0.00 O ATOM 723 CB ALA A 50 11.789 16.597 0.455 1.00 0.00 C ATOM 0 H ALA A 50 12.393 14.872 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 50 10.541 16.958 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.458 17.486 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.202 15.738 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.843 16.417 0.667 1.00 0.00 H new ATOM 729 N ALA A 51 13.672 18.030 -1.349 1.00 0.00 N ATOM 730 CA ALA A 51 14.506 19.156 -1.750 1.00 0.00 C ATOM 731 C ALA A 51 14.192 19.591 -3.177 1.00 0.00 C ATOM 732 O ALA A 51 13.787 20.729 -3.416 1.00 0.00 O ATOM 733 CB ALA A 51 15.979 18.797 -1.618 1.00 0.00 C ATOM 0 H ALA A 51 14.187 17.244 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 51 14.287 19.992 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.589 19.648 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.200 18.543 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.204 17.943 -2.257 1.00 0.00 H new ATOM 739 N VAL A 52 14.381 18.678 -4.125 1.00 0.00 N ATOM 740 CA VAL A 52 14.117 18.967 -5.529 1.00 0.00 C ATOM 741 C VAL A 52 12.813 19.739 -5.696 1.00 0.00 C ATOM 742 O VAL A 52 12.782 20.799 -6.321 1.00 0.00 O ATOM 743 CB VAL A 52 14.046 17.675 -6.364 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.725 17.994 -7.816 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.350 16.899 -6.256 1.00 0.00 C ATOM 0 H VAL A 52 14.716 17.732 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 52 14.946 19.578 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 52 13.244 17.051 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.679 17.069 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.763 18.504 -7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.502 18.638 -8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.282 15.989 -6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.171 17.514 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.532 16.637 -5.214 1.00 0.00 H new ATOM 755 N LYS A 53 11.737 19.201 -5.131 1.00 0.00 N ATOM 756 CA LYS A 53 10.429 19.840 -5.215 1.00 0.00 C ATOM 757 C LYS A 53 10.456 21.223 -4.572 1.00 0.00 C ATOM 758 O LYS A 53 10.004 22.203 -5.164 1.00 0.00 O ATOM 759 CB LYS A 53 9.370 18.970 -4.533 1.00 0.00 C ATOM 760 CG LYS A 53 8.708 17.973 -5.469 1.00 0.00 C ATOM 761 CD LYS A 53 7.618 18.629 -6.300 1.00 0.00 C ATOM 762 CE LYS A 53 6.554 17.624 -6.716 1.00 0.00 C ATOM 763 NZ LYS A 53 5.633 17.295 -5.593 1.00 0.00 N ATOM 0 H LYS A 53 11.745 18.324 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 53 10.175 19.954 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.833 18.429 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.604 19.615 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.459 17.538 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.282 17.155 -4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.156 19.433 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.059 19.082 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.980 18.027 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.034 16.712 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.271 16.327 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.147 17.363 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.837 17.964 -5.589 1.00 0.00 H new ATOM 777 N LYS A 54 10.991 21.295 -3.358 1.00 0.00 N ATOM 778 CA LYS A 54 11.080 22.558 -2.635 1.00 0.00 C ATOM 779 C LYS A 54 11.645 23.658 -3.528 1.00 0.00 C ATOM 780 O LYS A 54 11.007 24.689 -3.737 1.00 0.00 O ATOM 781 CB LYS A 54 11.957 22.397 -1.391 1.00 0.00 C ATOM 782 CG LYS A 54 11.198 21.904 -0.171 1.00 0.00 C ATOM 783 CD LYS A 54 12.033 22.026 1.092 1.00 0.00 C ATOM 784 CE LYS A 54 11.973 23.434 1.665 1.00 0.00 C ATOM 785 NZ LYS A 54 12.267 23.452 3.125 1.00 0.00 N ATOM 0 H LYS A 54 11.370 20.493 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 54 10.074 22.843 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.764 21.698 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.421 23.355 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.278 22.478 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.908 20.863 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.676 21.314 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.068 21.765 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.688 24.069 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.984 23.856 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.216 24.429 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.569 22.866 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.221 23.073 3.292 1.00 0.00 H new ATOM 799 N MET A 55 12.844 23.429 -4.055 1.00 0.00 N ATOM 800 CA MET A 55 13.492 24.400 -4.928 1.00 0.00 C ATOM 801 C MET A 55 12.562 24.816 -6.064 1.00 0.00 C ATOM 802 O MET A 55 12.419 26.002 -6.358 1.00 0.00 O ATOM 803 CB MET A 55 14.786 23.819 -5.501 1.00 0.00 C ATOM 804 CG MET A 55 15.777 23.377 -4.436 1.00 0.00 C ATOM 805 SD MET A 55 16.888 24.703 -3.927 1.00 0.00 S ATOM 806 CE MET A 55 18.314 24.363 -4.955 1.00 0.00 C ATOM 0 H MET A 55 13.386 22.580 -3.892 1.00 0.00 H new ATOM 0 HA MET A 55 13.730 25.283 -4.334 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.542 22.967 -6.135 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.259 24.566 -6.138 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.231 23.012 -3.566 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.365 22.542 -4.817 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.133 24.001 -4.333 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.057 23.604 -5.694 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.622 25.276 -5.464 1.00 0.00 H new ATOM 816 N ALA A 56 11.932 23.832 -6.697 1.00 0.00 N ATOM 817 CA ALA A 56 11.015 24.097 -7.799 1.00 0.00 C ATOM 818 C ALA A 56 9.925 25.079 -7.382 1.00 0.00 C ATOM 819 O ALA A 56 9.765 26.139 -7.988 1.00 0.00 O ATOM 820 CB ALA A 56 10.396 22.798 -8.294 1.00 0.00 C ATOM 0 H ALA A 56 12.040 22.844 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 56 11.584 24.549 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.713 23.011 -9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.183 22.128 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.847 22.323 -7.481 1.00 0.00 H new ATOM 826 N LYS A 57 9.177 24.720 -6.344 1.00 0.00 N ATOM 827 CA LYS A 57 8.102 25.569 -5.845 1.00 0.00 C ATOM 828 C LYS A 57 8.572 27.013 -5.700 1.00 0.00 C ATOM 829 O LYS A 57 7.920 27.939 -6.180 1.00 0.00 O ATOM 830 CB LYS A 57 7.597 25.048 -4.497 1.00 0.00 C ATOM 831 CG LYS A 57 6.837 23.737 -4.598 1.00 0.00 C ATOM 832 CD LYS A 57 6.151 23.388 -3.288 1.00 0.00 C ATOM 833 CE LYS A 57 7.084 22.631 -2.355 1.00 0.00 C ATOM 834 NZ LYS A 57 7.296 21.227 -2.802 1.00 0.00 N ATOM 0 H LYS A 57 9.296 23.846 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 57 7.286 25.542 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.446 24.915 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.950 25.800 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.093 23.807 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.524 22.937 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.809 24.301 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.266 22.784 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.044 23.145 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.669 22.632 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.271 20.938 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.631 20.600 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.134 21.161 -3.827 1.00 0.00 H new ATOM 848 N ALA A 58 9.709 27.197 -5.036 1.00 0.00 N ATOM 849 CA ALA A 58 10.267 28.527 -4.832 1.00 0.00 C ATOM 850 C ALA A 58 10.428 29.265 -6.157 1.00 0.00 C ATOM 851 O ALA A 58 10.105 30.448 -6.262 1.00 0.00 O ATOM 852 CB ALA A 58 11.605 28.434 -4.112 1.00 0.00 C ATOM 0 H ALA A 58 10.261 26.441 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 58 9.572 29.094 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.010 29.435 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.464 27.955 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.300 27.845 -4.710 1.00 0.00 H new ATOM 858 N ILE A 59 10.930 28.559 -7.164 1.00 0.00 N ATOM 859 CA ILE A 59 11.132 29.147 -8.482 1.00 0.00 C ATOM 860 C ILE A 59 9.815 29.635 -9.075 1.00 0.00 C ATOM 861 O ILE A 59 9.749 30.714 -9.664 1.00 0.00 O ATOM 862 CB ILE A 59 11.779 28.143 -9.454 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.140 27.689 -8.922 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.923 28.761 -10.837 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.677 26.454 -9.611 1.00 0.00 C ATOM 0 H ILE A 59 11.204 27.579 -7.092 1.00 0.00 H new ATOM 0 HA ILE A 59 11.804 29.995 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 59 11.132 27.269 -9.534 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.857 28.502 -9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.056 27.491 -7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.382 28.039 -11.512 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.939 29.038 -11.216 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.551 29.650 -10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.644 26.190 -9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.980 25.627 -9.471 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.794 26.653 -10.676 1.00 0.00 H new ATOM 877 N MET A 60 8.767 28.834 -8.914 1.00 0.00 N ATOM 878 CA MET A 60 7.449 29.185 -9.431 1.00 0.00 C ATOM 879 C MET A 60 7.220 30.691 -9.354 1.00 0.00 C ATOM 880 O MET A 60 6.986 31.345 -10.370 1.00 0.00 O ATOM 881 CB MET A 60 6.359 28.451 -8.649 1.00 0.00 C ATOM 882 CG MET A 60 6.445 26.937 -8.761 1.00 0.00 C ATOM 883 SD MET A 60 5.056 26.102 -7.970 1.00 0.00 S ATOM 884 CE MET A 60 4.654 24.870 -9.206 1.00 0.00 C ATOM 0 H MET A 60 8.805 27.937 -8.430 1.00 0.00 H new ATOM 0 HA MET A 60 7.403 28.881 -10.477 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.424 28.734 -7.598 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.383 28.779 -9.007 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.481 26.656 -9.814 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.375 26.595 -8.308 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.254 23.981 -8.717 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.909 25.273 -9.892 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.554 24.605 -9.762 1.00 0.00 H new ATOM 894 N ALA A 61 7.288 31.235 -8.143 1.00 0.00 N ATOM 895 CA ALA A 61 7.089 32.664 -7.935 1.00 0.00 C ATOM 896 C ALA A 61 8.330 33.455 -8.336 1.00 0.00 C ATOM 897 O ALA A 61 8.227 34.545 -8.900 1.00 0.00 O ATOM 898 CB ALA A 61 6.731 32.941 -6.483 1.00 0.00 C ATOM 0 H ALA A 61 7.479 30.707 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 61 6.263 32.987 -8.569 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.585 34.012 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.812 32.413 -6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.539 32.597 -5.837 1.00 0.00 H new ATOM 904 N ASP A 62 9.500 32.900 -8.041 1.00 0.00 N ATOM 905 CA ASP A 62 10.761 33.554 -8.372 1.00 0.00 C ATOM 906 C ASP A 62 11.443 32.858 -9.545 1.00 0.00 C ATOM 907 O ASP A 62 12.276 31.968 -9.371 1.00 0.00 O ATOM 908 CB ASP A 62 11.690 33.561 -7.157 1.00 0.00 C ATOM 909 CG ASP A 62 10.987 34.016 -5.893 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.195 34.978 -5.968 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.228 33.409 -4.828 1.00 0.00 O ATOM 0 H ASP A 62 9.602 31.999 -7.574 1.00 0.00 H new ATOM 0 HA ASP A 62 10.544 34.583 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.092 32.559 -7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.537 34.218 -7.355 1.00 0.00 H new ATOM 916 N PRO A 63 11.082 33.270 -10.769 1.00 0.00 N ATOM 917 CA PRO A 63 11.647 32.699 -11.995 1.00 0.00 C ATOM 918 C PRO A 63 13.111 33.079 -12.192 1.00 0.00 C ATOM 919 O PRO A 63 13.829 32.444 -12.962 1.00 0.00 O ATOM 920 CB PRO A 63 10.783 33.308 -13.102 1.00 0.00 C ATOM 921 CG PRO A 63 10.268 34.581 -12.523 1.00 0.00 C ATOM 922 CD PRO A 63 10.095 34.326 -11.051 1.00 0.00 C ATOM 0 HA PRO A 63 11.637 31.609 -11.978 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.367 33.491 -14.004 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.967 32.641 -13.380 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.966 35.400 -12.698 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.322 34.865 -12.984 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.287 35.223 -10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.081 34.002 -10.816 1.00 0.00 H new ATOM 930 N ASN A 64 13.546 34.121 -11.490 1.00 0.00 N ATOM 931 CA ASN A 64 14.924 34.586 -11.587 1.00 0.00 C ATOM 932 C ASN A 64 15.877 33.614 -10.897 1.00 0.00 C ATOM 933 O ASN A 64 16.984 33.367 -11.376 1.00 0.00 O ATOM 934 CB ASN A 64 15.060 35.978 -10.967 1.00 0.00 C ATOM 935 CG ASN A 64 13.918 36.898 -11.354 1.00 0.00 C ATOM 936 OD1 ASN A 64 13.763 37.254 -12.522 1.00 0.00 O ATOM 937 ND2 ASN A 64 13.112 37.286 -10.373 1.00 0.00 N ATOM 0 H ASN A 64 12.964 34.659 -10.848 1.00 0.00 H new ATOM 0 HA ASN A 64 15.189 34.639 -12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.098 35.887 -9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.004 36.423 -11.283 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.326 37.904 -10.573 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.279 36.966 -9.419 1.00 0.00 H new ATOM 944 N LYS A 65 15.438 33.065 -9.770 1.00 0.00 N ATOM 945 CA LYS A 65 16.249 32.118 -9.013 1.00 0.00 C ATOM 946 C LYS A 65 16.561 30.880 -9.848 1.00 0.00 C ATOM 947 O LYS A 65 17.647 30.311 -9.750 1.00 0.00 O ATOM 948 CB LYS A 65 15.527 31.711 -7.727 1.00 0.00 C ATOM 949 CG LYS A 65 15.796 32.643 -6.558 1.00 0.00 C ATOM 950 CD LYS A 65 17.202 32.462 -6.012 1.00 0.00 C ATOM 951 CE LYS A 65 17.246 31.401 -4.924 1.00 0.00 C ATOM 952 NZ LYS A 65 17.028 30.034 -5.473 1.00 0.00 N ATOM 0 H LYS A 65 14.524 33.259 -9.360 1.00 0.00 H new ATOM 0 HA LYS A 65 17.189 32.607 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.454 31.680 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.832 30.701 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.659 33.676 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.070 32.454 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.875 32.181 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.563 33.410 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.211 31.440 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.484 31.617 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.421 29.330 -4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.009 29.866 -5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.502 29.950 -6.395 1.00 0.00 H new ATOM 966 N ALA A 66 15.600 30.469 -10.670 1.00 0.00 N ATOM 967 CA ALA A 66 15.774 29.301 -11.524 1.00 0.00 C ATOM 968 C ALA A 66 17.223 29.164 -11.978 1.00 0.00 C ATOM 969 O ALA A 66 17.847 28.119 -11.788 1.00 0.00 O ATOM 970 CB ALA A 66 14.847 29.384 -12.728 1.00 0.00 C ATOM 0 H ALA A 66 14.694 30.928 -10.762 1.00 0.00 H new ATOM 0 HA ALA A 66 15.518 28.415 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.988 28.505 -13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.812 29.425 -12.388 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.076 30.282 -13.302 1.00 0.00 H new ATOM 976 N ASP A 67 17.752 30.223 -12.580 1.00 0.00 N ATOM 977 CA ASP A 67 19.129 30.221 -13.061 1.00 0.00 C ATOM 978 C ASP A 67 20.070 29.636 -12.013 1.00 0.00 C ATOM 979 O ASP A 67 20.796 28.679 -12.282 1.00 0.00 O ATOM 980 CB ASP A 67 19.568 31.641 -13.423 1.00 0.00 C ATOM 981 CG ASP A 67 19.010 32.096 -14.757 1.00 0.00 C ATOM 982 OD1 ASP A 67 19.015 31.289 -15.710 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.568 33.261 -14.849 1.00 0.00 O ATOM 0 H ASP A 67 17.248 31.094 -12.747 1.00 0.00 H new ATOM 0 HA ASP A 67 19.175 29.597 -13.953 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.243 32.329 -12.643 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.657 31.685 -13.454 1.00 0.00 H new ATOM 988 N GLU A 68 20.053 30.219 -10.818 1.00 0.00 N ATOM 989 CA GLU A 68 20.907 29.756 -9.731 1.00 0.00 C ATOM 990 C GLU A 68 20.617 28.296 -9.395 1.00 0.00 C ATOM 991 O GLU A 68 21.522 27.461 -9.371 1.00 0.00 O ATOM 992 CB GLU A 68 20.705 30.626 -8.488 1.00 0.00 C ATOM 993 CG GLU A 68 21.404 30.090 -7.250 1.00 0.00 C ATOM 994 CD GLU A 68 21.715 31.177 -6.240 1.00 0.00 C ATOM 995 OE1 GLU A 68 21.023 32.217 -6.253 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.651 30.988 -5.435 1.00 0.00 O ATOM 0 H GLU A 68 19.458 31.012 -10.579 1.00 0.00 H new ATOM 0 HA GLU A 68 21.944 29.837 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.071 31.631 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.638 30.711 -8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.775 29.333 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 68 22.330 29.597 -7.545 1.00 0.00 H new ATOM 1003 N VAL A 69 19.348 27.995 -9.136 1.00 0.00 N ATOM 1004 CA VAL A 69 18.938 26.636 -8.803 1.00 0.00 C ATOM 1005 C VAL A 69 19.496 25.632 -9.805 1.00 0.00 C ATOM 1006 O VAL A 69 20.268 24.743 -9.444 1.00 0.00 O ATOM 1007 CB VAL A 69 17.404 26.507 -8.763 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.994 25.051 -8.606 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.827 27.356 -7.640 1.00 0.00 C ATOM 0 H VAL A 69 18.587 28.674 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 69 19.340 26.418 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 69 17.002 26.873 -9.708 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.907 24.980 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.375 24.473 -9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.406 24.655 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.742 27.253 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.235 27.023 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 69 17.090 28.401 -7.802 1.00 0.00 H new ATOM 1019 N TYR A 70 19.100 25.779 -11.064 1.00 0.00 N ATOM 1020 CA TYR A 70 19.558 24.883 -12.119 1.00 0.00 C ATOM 1021 C TYR A 70 21.001 24.450 -11.877 1.00 0.00 C ATOM 1022 O TYR A 70 21.332 23.268 -11.971 1.00 0.00 O ATOM 1023 CB TYR A 70 19.441 25.565 -13.483 1.00 0.00 C ATOM 1024 CG TYR A 70 18.013 25.796 -13.923 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.045 24.814 -13.752 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.632 26.997 -14.510 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.739 25.021 -14.153 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.328 27.213 -14.913 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.386 26.222 -14.732 1.00 0.00 C ATOM 1030 OH TYR A 70 14.086 26.433 -15.133 1.00 0.00 O ATOM 0 H TYR A 70 18.463 26.510 -11.379 1.00 0.00 H new ATOM 0 HA TYR A 70 18.924 23.996 -12.108 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.961 26.522 -13.447 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.948 24.955 -14.230 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.318 23.873 -13.298 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.368 27.775 -14.654 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.999 24.247 -14.014 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.048 28.152 -15.367 1.00 0.00 H new ATOM 0 HH TYR A 70 13.628 25.572 -15.224 1.00 0.00 H new ATOM 1040 N LYS A 71 21.857 25.417 -11.564 1.00 0.00 N ATOM 1041 CA LYS A 71 23.265 25.139 -11.305 1.00 0.00 C ATOM 1042 C LYS A 71 23.426 24.218 -10.100 1.00 0.00 C ATOM 1043 O LYS A 71 24.208 23.268 -10.131 1.00 0.00 O ATOM 1044 CB LYS A 71 24.029 26.444 -11.069 1.00 0.00 C ATOM 1045 CG LYS A 71 24.605 27.050 -12.337 1.00 0.00 C ATOM 1046 CD LYS A 71 23.624 28.007 -12.993 1.00 0.00 C ATOM 1047 CE LYS A 71 22.730 27.291 -13.994 1.00 0.00 C ATOM 1048 NZ LYS A 71 21.882 28.244 -14.761 1.00 0.00 N ATOM 0 H LYS A 71 21.600 26.401 -11.484 1.00 0.00 H new ATOM 0 HA LYS A 71 23.677 24.637 -12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.360 27.167 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.840 26.258 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.529 27.579 -12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.862 26.255 -13.037 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.009 28.480 -12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.172 28.802 -13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 71 23.346 26.716 -14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 71 22.093 26.580 -13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.376 27.732 -15.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.194 28.689 -14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.483 28.978 -15.187 1.00 0.00 H new ATOM 1062 N LYS A 72 22.679 24.504 -9.039 1.00 0.00 N ATOM 1063 CA LYS A 72 22.736 23.701 -7.823 1.00 0.00 C ATOM 1064 C LYS A 72 22.456 22.233 -8.128 1.00 0.00 C ATOM 1065 O LYS A 72 23.277 21.362 -7.842 1.00 0.00 O ATOM 1066 CB LYS A 72 21.728 24.221 -6.796 1.00 0.00 C ATOM 1067 CG LYS A 72 22.277 25.329 -5.912 1.00 0.00 C ATOM 1068 CD LYS A 72 22.460 26.622 -6.689 1.00 0.00 C ATOM 1069 CE LYS A 72 23.504 27.518 -6.040 1.00 0.00 C ATOM 1070 NZ LYS A 72 24.204 28.370 -7.042 1.00 0.00 N ATOM 0 H LYS A 72 22.026 25.287 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 72 23.741 23.783 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.845 24.589 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.403 23.393 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.599 25.499 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.233 25.019 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.760 26.394 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.509 27.151 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 72 23.025 28.153 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.234 26.903 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 25.208 28.103 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.770 28.234 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 24.123 29.369 -6.765 1.00 0.00 H new ATOM 1084 N TRP A 73 21.292 21.967 -8.710 1.00 0.00 N ATOM 1085 CA TRP A 73 20.905 20.603 -9.055 1.00 0.00 C ATOM 1086 C TRP A 73 22.051 19.868 -9.740 1.00 0.00 C ATOM 1087 O TRP A 73 22.555 18.870 -9.227 1.00 0.00 O ATOM 1088 CB TRP A 73 19.674 20.615 -9.964 1.00 0.00 C ATOM 1089 CG TRP A 73 18.398 20.900 -9.232 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.120 20.612 -7.926 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.226 21.527 -9.765 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.846 21.022 -7.615 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.277 21.587 -8.726 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.887 22.045 -11.017 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.013 22.144 -8.904 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.632 22.597 -11.192 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.708 22.643 -10.140 1.00 0.00 C ATOM 0 H TRP A 73 20.600 22.676 -8.953 1.00 0.00 H new ATOM 0 HA TRP A 73 20.662 20.077 -8.132 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.813 21.365 -10.742 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.590 19.650 -10.463 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.801 20.133 -7.239 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.397 20.922 -6.705 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.593 22.015 -11.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.299 22.181 -8.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.359 23.000 -12.156 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.735 23.081 -10.309 1.00 0.00 H new ATOM 1108 N ALA A 74 22.459 20.369 -10.902 1.00 0.00 N ATOM 1109 CA ALA A 74 23.548 19.760 -11.656 1.00 0.00 C ATOM 1110 C ALA A 74 24.764 19.520 -10.767 1.00 0.00 C ATOM 1111 O ALA A 74 25.453 18.508 -10.902 1.00 0.00 O ATOM 1112 CB ALA A 74 23.923 20.637 -12.841 1.00 0.00 C ATOM 0 H ALA A 74 22.052 21.195 -11.341 1.00 0.00 H new ATOM 0 HA ALA A 74 23.205 18.794 -12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.737 20.171 -13.395 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.059 20.754 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.242 21.616 -12.483 1.00 0.00 H new ATOM 1118 N ASP A 75 25.021 20.455 -9.860 1.00 0.00 N ATOM 1119 CA ASP A 75 26.154 20.345 -8.948 1.00 0.00 C ATOM 1120 C ASP A 75 25.978 19.161 -8.003 1.00 0.00 C ATOM 1121 O ASP A 75 26.932 18.440 -7.708 1.00 0.00 O ATOM 1122 CB ASP A 75 26.317 21.636 -8.144 1.00 0.00 C ATOM 1123 CG ASP A 75 27.227 22.635 -8.831 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.200 22.201 -9.482 1.00 0.00 O ATOM 1125 OD2 ASP A 75 26.966 23.851 -8.717 1.00 0.00 O ATOM 0 H ASP A 75 24.460 21.298 -9.736 1.00 0.00 H new ATOM 0 HA ASP A 75 27.053 20.181 -9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.338 22.089 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.720 21.399 -7.159 1.00 0.00 H new ATOM 1130 N LYS A 76 24.752 18.966 -7.530 1.00 0.00 N ATOM 1131 CA LYS A 76 24.449 17.869 -6.617 1.00 0.00 C ATOM 1132 C LYS A 76 24.736 16.522 -7.272 1.00 0.00 C ATOM 1133 O LYS A 76 25.350 15.645 -6.665 1.00 0.00 O ATOM 1134 CB LYS A 76 22.984 17.933 -6.180 1.00 0.00 C ATOM 1135 CG LYS A 76 22.609 19.239 -5.500 1.00 0.00 C ATOM 1136 CD LYS A 76 23.003 19.237 -4.032 1.00 0.00 C ATOM 1137 CE LYS A 76 22.651 20.555 -3.359 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.615 21.633 -3.714 1.00 0.00 N ATOM 0 H LYS A 76 23.951 19.553 -7.764 1.00 0.00 H new ATOM 0 HA LYS A 76 25.089 17.971 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.347 17.791 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.780 17.107 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.100 20.069 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.535 19.401 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.497 18.419 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.074 19.056 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.645 20.856 -3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.640 20.419 -2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 23.341 22.515 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 24.571 21.357 -3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.607 21.781 -4.743 1.00 0.00 H new ATOM 1152 N GLY A 77 24.290 16.365 -8.515 1.00 0.00 N ATOM 1153 CA GLY A 77 24.510 15.122 -9.231 1.00 0.00 C ATOM 1154 C GLY A 77 23.215 14.465 -9.663 1.00 0.00 C ATOM 1155 O GLY A 77 23.047 13.254 -9.519 1.00 0.00 O ATOM 0 H GLY A 77 23.780 17.077 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.126 15.316 -10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.068 14.434 -8.596 1.00 0.00 H new ATOM 1159 N TYR A 78 22.296 15.264 -10.194 1.00 0.00 N ATOM 1160 CA TYR A 78 21.007 14.753 -10.645 1.00 0.00 C ATOM 1161 C TYR A 78 20.990 14.579 -12.161 1.00 0.00 C ATOM 1162 O TYR A 78 21.963 14.897 -12.846 1.00 0.00 O ATOM 1163 CB TYR A 78 19.882 15.697 -10.216 1.00 0.00 C ATOM 1164 CG TYR A 78 19.841 15.952 -8.726 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.864 14.899 -7.820 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.779 17.246 -8.225 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.826 15.127 -6.458 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.742 17.484 -6.864 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.765 16.421 -5.985 1.00 0.00 C ATOM 1170 OH TYR A 78 19.727 16.654 -4.630 1.00 0.00 O ATOM 0 H TYR A 78 22.420 16.268 -10.323 1.00 0.00 H new ATOM 0 HA TYR A 78 20.850 13.778 -10.184 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.999 16.648 -10.736 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.927 15.277 -10.531 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.912 13.884 -8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.759 18.080 -8.911 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.844 14.297 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.695 18.496 -6.491 1.00 0.00 H new ATOM 0 HH TYR A 78 19.687 17.619 -4.465 1.00 0.00 H new ATOM 1180 N THR A 79 19.876 14.072 -12.679 1.00 0.00 N ATOM 1181 CA THR A 79 19.730 13.855 -14.113 1.00 0.00 C ATOM 1182 C THR A 79 18.261 13.771 -14.510 1.00 0.00 C ATOM 1183 O THR A 79 17.409 13.397 -13.702 1.00 0.00 O ATOM 1184 CB THR A 79 20.445 12.566 -14.561 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.390 12.446 -15.987 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.809 11.343 -13.919 1.00 0.00 C ATOM 0 H THR A 79 19.061 13.804 -12.127 1.00 0.00 H new ATOM 0 HA THR A 79 20.189 14.709 -14.610 1.00 0.00 H new ATOM 0 HB THR A 79 21.485 12.624 -14.241 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.848 11.625 -16.264 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.331 10.445 -14.250 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.879 11.424 -12.834 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.761 11.282 -14.212 1.00 0.00 H new ATOM 1194 N LEU A 80 17.969 14.122 -15.757 1.00 0.00 N ATOM 1195 CA LEU A 80 16.601 14.086 -16.262 1.00 0.00 C ATOM 1196 C LEU A 80 15.837 12.901 -15.680 1.00 0.00 C ATOM 1197 O LEU A 80 14.737 13.058 -15.149 1.00 0.00 O ATOM 1198 CB LEU A 80 16.602 14.006 -17.790 1.00 0.00 C ATOM 1199 CG LEU A 80 17.181 15.215 -18.525 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.581 14.836 -19.943 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.180 16.360 -18.540 1.00 0.00 C ATOM 0 H LEU A 80 18.661 14.435 -16.438 1.00 0.00 H new ATOM 0 HA LEU A 80 16.102 15.004 -15.953 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.165 13.121 -18.087 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.576 13.858 -18.127 1.00 0.00 H new ATOM 0 HG LEU A 80 18.073 15.546 -17.993 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.991 15.709 -20.451 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.334 14.048 -19.910 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.705 14.479 -20.485 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.609 17.212 -19.067 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.270 16.041 -19.047 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.943 16.649 -17.516 1.00 0.00 H new ATOM 1213 N THR A 81 16.428 11.715 -15.781 1.00 0.00 N ATOM 1214 CA THR A 81 15.803 10.504 -15.264 1.00 0.00 C ATOM 1215 C THR A 81 15.309 10.706 -13.837 1.00 0.00 C ATOM 1216 O THR A 81 14.146 10.444 -13.530 1.00 0.00 O ATOM 1217 CB THR A 81 16.780 9.312 -15.293 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.239 9.088 -16.630 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.112 8.053 -14.763 1.00 0.00 C ATOM 0 H THR A 81 17.339 11.567 -16.216 1.00 0.00 H new ATOM 0 HA THR A 81 14.954 10.285 -15.912 1.00 0.00 H new ATOM 0 HB THR A 81 17.630 9.550 -14.653 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.861 8.330 -16.640 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.820 7.225 -14.793 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.789 8.218 -13.735 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.247 7.813 -15.381 1.00 0.00 H new ATOM 1227 N GLN A 82 16.199 11.175 -12.968 1.00 0.00 N ATOM 1228 CA GLN A 82 15.852 11.412 -11.572 1.00 0.00 C ATOM 1229 C GLN A 82 15.004 12.672 -11.429 1.00 0.00 C ATOM 1230 O GLN A 82 13.862 12.614 -10.972 1.00 0.00 O ATOM 1231 CB GLN A 82 17.118 11.537 -10.723 1.00 0.00 C ATOM 1232 CG GLN A 82 17.951 10.266 -10.683 1.00 0.00 C ATOM 1233 CD GLN A 82 17.149 9.056 -10.247 1.00 0.00 C ATOM 1234 OE1 GLN A 82 16.081 9.187 -9.649 1.00 0.00 O ATOM 1235 NE2 GLN A 82 17.661 7.867 -10.545 1.00 0.00 N ATOM 0 H GLN A 82 17.165 11.398 -13.206 1.00 0.00 H new ATOM 0 HA GLN A 82 15.270 10.561 -11.219 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.729 12.350 -11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.838 11.810 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.372 10.081 -11.671 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.789 10.407 -10.000 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.549 7.804 -11.042 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.166 7.017 -10.277 1.00 0.00 H new ATOM 1244 N MET A 83 15.570 13.808 -11.822 1.00 0.00 N ATOM 1245 CA MET A 83 14.864 15.082 -11.738 1.00 0.00 C ATOM 1246 C MET A 83 13.376 14.899 -12.020 1.00 0.00 C ATOM 1247 O MET A 83 12.538 15.121 -11.147 1.00 0.00 O ATOM 1248 CB MET A 83 15.463 16.086 -12.724 1.00 0.00 C ATOM 1249 CG MET A 83 14.863 17.479 -12.612 1.00 0.00 C ATOM 1250 SD MET A 83 15.100 18.207 -10.979 1.00 0.00 S ATOM 1251 CE MET A 83 16.866 18.503 -10.993 1.00 0.00 C ATOM 0 H MET A 83 16.515 13.873 -12.201 1.00 0.00 H new ATOM 0 HA MET A 83 14.978 15.467 -10.725 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.539 16.148 -12.558 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.317 15.717 -13.739 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.315 18.127 -13.363 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.797 17.430 -12.833 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.210 18.697 -9.977 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.379 17.626 -11.389 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.085 19.366 -11.622 1.00 0.00 H new ATOM 1261 N SER A 84 13.056 14.493 -13.245 1.00 0.00 N ATOM 1262 CA SER A 84 11.669 14.285 -13.643 1.00 0.00 C ATOM 1263 C SER A 84 10.922 13.461 -12.598 1.00 0.00 C ATOM 1264 O SER A 84 9.894 13.888 -12.075 1.00 0.00 O ATOM 1265 CB SER A 84 11.606 13.584 -15.002 1.00 0.00 C ATOM 1266 OG SER A 84 10.282 13.180 -15.306 1.00 0.00 O ATOM 0 H SER A 84 13.739 14.302 -13.978 1.00 0.00 H new ATOM 0 HA SER A 84 11.189 15.260 -13.723 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.972 14.256 -15.779 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.263 12.714 -14.997 1.00 0.00 H new ATOM 0 HG SER A 84 10.268 12.736 -16.180 1.00 0.00 H new ATOM 1272 N ASN A 85 11.448 12.278 -12.300 1.00 0.00 N ATOM 1273 CA ASN A 85 10.832 11.392 -11.319 1.00 0.00 C ATOM 1274 C ASN A 85 10.444 12.162 -10.060 1.00 0.00 C ATOM 1275 O ASN A 85 9.482 11.812 -9.376 1.00 0.00 O ATOM 1276 CB ASN A 85 11.786 10.252 -10.960 1.00 0.00 C ATOM 1277 CG ASN A 85 11.842 9.184 -12.035 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.953 9.093 -12.882 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.891 8.370 -12.006 1.00 0.00 N ATOM 0 H ASN A 85 12.300 11.910 -12.724 1.00 0.00 H new ATOM 0 HA ASN A 85 9.928 10.973 -11.761 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.786 10.655 -10.800 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.470 9.801 -10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.984 7.632 -12.704 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.604 8.482 -11.285 1.00 0.00 H new ATOM 1286 N PHE A 86 11.200 13.213 -9.759 1.00 0.00 N ATOM 1287 CA PHE A 86 10.937 14.033 -8.583 1.00 0.00 C ATOM 1288 C PHE A 86 9.904 15.113 -8.892 1.00 0.00 C ATOM 1289 O PHE A 86 9.036 15.411 -8.071 1.00 0.00 O ATOM 1290 CB PHE A 86 12.232 14.678 -8.084 1.00 0.00 C ATOM 1291 CG PHE A 86 13.311 13.684 -7.763 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.027 12.545 -7.028 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.611 13.889 -8.197 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.018 11.628 -6.731 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.606 12.976 -7.904 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.310 11.845 -7.169 1.00 0.00 C ATOM 0 H PHE A 86 12.000 13.517 -10.314 1.00 0.00 H new ATOM 0 HA PHE A 86 10.537 13.386 -7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.600 15.369 -8.842 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.015 15.267 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.019 12.371 -6.683 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.849 14.772 -8.771 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.783 10.744 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.615 13.147 -8.250 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.087 11.132 -6.937 1.00 0.00 H new ATOM 1306 N LEU A 87 10.004 15.695 -10.081 1.00 0.00 N ATOM 1307 CA LEU A 87 9.080 16.743 -10.501 1.00 0.00 C ATOM 1308 C LEU A 87 7.849 16.145 -11.175 1.00 0.00 C ATOM 1309 O LEU A 87 7.234 16.772 -12.038 1.00 0.00 O ATOM 1310 CB LEU A 87 9.777 17.714 -11.456 1.00 0.00 C ATOM 1311 CG LEU A 87 10.892 18.567 -10.849 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.580 19.391 -11.927 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.338 19.470 -9.757 1.00 0.00 C ATOM 0 H LEU A 87 10.716 15.459 -10.772 1.00 0.00 H new ATOM 0 HA LEU A 87 8.758 17.286 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.195 17.141 -12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.025 18.381 -11.877 1.00 0.00 H new ATOM 0 HG LEU A 87 11.631 17.902 -10.402 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.370 19.992 -11.477 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.011 18.725 -12.674 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.852 20.048 -12.403 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.145 20.070 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.579 20.128 -10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.892 18.860 -8.972 1.00 0.00 H new ATOM 1325 N LYS A 88 7.493 14.930 -10.774 1.00 0.00 N ATOM 1326 CA LYS A 88 6.334 14.247 -11.335 1.00 0.00 C ATOM 1327 C LYS A 88 5.244 14.070 -10.283 1.00 0.00 C ATOM 1328 O LYS A 88 4.956 12.953 -9.855 1.00 0.00 O ATOM 1329 CB LYS A 88 6.741 12.883 -11.897 1.00 0.00 C ATOM 1330 CG LYS A 88 7.166 12.927 -13.354 1.00 0.00 C ATOM 1331 CD LYS A 88 7.757 11.601 -13.803 1.00 0.00 C ATOM 1332 CE LYS A 88 6.671 10.581 -14.108 1.00 0.00 C ATOM 1333 NZ LYS A 88 6.183 10.693 -15.511 1.00 0.00 N ATOM 0 H LYS A 88 7.991 14.397 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 88 5.938 14.862 -12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.561 12.484 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.904 12.192 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.306 13.173 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.900 13.720 -13.496 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.371 11.757 -14.690 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.414 11.212 -13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.058 9.576 -13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.837 10.722 -13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.444 9.981 -15.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.790 11.643 -15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.974 10.533 -16.167 1.00 0.00 H new ATOM 1433 N TYR A 95 5.353 20.904 -13.087 1.00 0.00 N ATOM 1434 CA TYR A 95 6.556 21.723 -12.996 1.00 0.00 C ATOM 1435 C TYR A 95 7.270 21.794 -14.342 1.00 0.00 C ATOM 1436 O TYR A 95 8.498 21.751 -14.409 1.00 0.00 O ATOM 1437 CB TYR A 95 7.502 21.161 -11.933 1.00 0.00 C ATOM 1438 CG TYR A 95 6.986 21.314 -10.521 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.041 20.436 -10.006 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.444 22.338 -9.700 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.566 20.573 -8.716 1.00 0.00 C ATOM 1442 CE2 TYR A 95 6.976 22.482 -8.408 1.00 0.00 C ATOM 1443 CZ TYR A 95 6.037 21.597 -7.921 1.00 0.00 C ATOM 1444 OH TYR A 95 5.567 21.737 -6.635 1.00 0.00 O ATOM 0 HA TYR A 95 6.257 22.732 -12.710 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.675 20.104 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.466 21.663 -12.015 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.671 19.632 -10.625 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.179 23.033 -10.079 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.830 19.882 -8.332 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.343 23.283 -7.783 1.00 0.00 H new ATOM 0 HH TYR A 95 6.277 21.505 -6.000 1.00 0.00 H new ATOM 1454 N ASP A 96 6.490 21.902 -15.412 1.00 0.00 N ATOM 1455 CA ASP A 96 7.046 21.981 -16.758 1.00 0.00 C ATOM 1456 C ASP A 96 7.931 23.214 -16.909 1.00 0.00 C ATOM 1457 O ASP A 96 9.083 23.115 -17.332 1.00 0.00 O ATOM 1458 CB ASP A 96 5.922 22.015 -17.796 1.00 0.00 C ATOM 1459 CG ASP A 96 6.434 21.824 -19.210 1.00 0.00 C ATOM 1460 OD1 ASP A 96 7.071 20.783 -19.475 1.00 0.00 O ATOM 1461 OD2 ASP A 96 6.199 22.716 -20.052 1.00 0.00 O ATOM 0 H ASP A 96 5.471 21.937 -15.374 1.00 0.00 H new ATOM 0 HA ASP A 96 7.658 21.094 -16.924 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.196 21.235 -17.567 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.397 22.968 -17.728 1.00 0.00 H new ATOM 1466 N ARG A 97 7.385 24.375 -16.562 1.00 0.00 N ATOM 1467 CA ARG A 97 8.125 25.627 -16.661 1.00 0.00 C ATOM 1468 C ARG A 97 9.536 25.471 -16.103 1.00 0.00 C ATOM 1469 O ARG A 97 10.505 25.950 -16.693 1.00 0.00 O ATOM 1470 CB ARG A 97 7.389 26.740 -15.912 1.00 0.00 C ATOM 1471 CG ARG A 97 7.667 28.130 -16.460 1.00 0.00 C ATOM 1472 CD ARG A 97 9.042 28.628 -16.044 1.00 0.00 C ATOM 1473 NE ARG A 97 9.238 30.036 -16.380 1.00 0.00 N ATOM 1474 CZ ARG A 97 10.422 30.638 -16.358 1.00 0.00 C ATOM 1475 NH1 ARG A 97 11.509 29.959 -16.018 1.00 0.00 N ATOM 1476 NH2 ARG A 97 10.520 31.923 -16.677 1.00 0.00 N ATOM 0 H ARG A 97 6.433 24.474 -16.210 1.00 0.00 H new ATOM 0 HA ARG A 97 8.198 25.894 -17.715 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.317 26.549 -15.957 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.675 26.709 -14.861 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.598 28.114 -17.548 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.905 28.822 -16.103 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.168 28.491 -14.970 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.809 28.028 -16.534 1.00 0.00 H new ATOM 0 HE ARG A 97 8.422 30.587 -16.646 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.438 28.972 -15.772 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.417 30.424 -16.002 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.686 32.448 -16.939 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.429 32.385 -16.660 1.00 0.00 H new ATOM 1490 N VAL A 98 9.645 24.797 -14.962 1.00 0.00 N ATOM 1491 CA VAL A 98 10.937 24.577 -14.324 1.00 0.00 C ATOM 1492 C VAL A 98 11.714 23.468 -15.025 1.00 0.00 C ATOM 1493 O VAL A 98 12.901 23.617 -15.317 1.00 0.00 O ATOM 1494 CB VAL A 98 10.774 24.212 -12.837 1.00 0.00 C ATOM 1495 CG1 VAL A 98 12.132 23.985 -12.190 1.00 0.00 C ATOM 1496 CG2 VAL A 98 10.001 25.299 -12.104 1.00 0.00 C ATOM 0 H VAL A 98 8.853 24.394 -14.461 1.00 0.00 H new ATOM 0 HA VAL A 98 11.492 25.512 -14.402 1.00 0.00 H new ATOM 0 HB VAL A 98 10.206 23.284 -12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.996 23.728 -11.139 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.646 23.170 -12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.728 24.894 -12.267 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.895 25.025 -11.054 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.540 26.243 -12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.013 25.408 -12.552 1.00 0.00 H new ATOM 1506 N TYR A 99 11.037 22.358 -15.294 1.00 0.00 N ATOM 1507 CA TYR A 99 11.664 21.222 -15.960 1.00 0.00 C ATOM 1508 C TYR A 99 12.369 21.662 -17.239 1.00 0.00 C ATOM 1509 O TYR A 99 13.565 21.433 -17.412 1.00 0.00 O ATOM 1510 CB TYR A 99 10.619 20.152 -16.282 1.00 0.00 C ATOM 1511 CG TYR A 99 11.193 18.933 -16.967 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.042 18.066 -16.289 1.00 0.00 C ATOM 1513 CD2 TYR A 99 10.887 18.647 -18.292 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.569 16.951 -16.911 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.409 17.534 -18.921 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.249 16.689 -18.227 1.00 0.00 C ATOM 1517 OH TYR A 99 12.772 15.579 -18.851 1.00 0.00 O ATOM 0 H TYR A 99 10.054 22.220 -15.061 1.00 0.00 H new ATOM 0 HA TYR A 99 12.408 20.801 -15.283 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.131 19.843 -15.358 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.849 20.588 -16.919 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.294 18.268 -15.258 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.230 19.306 -18.839 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.228 16.288 -16.370 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.161 17.326 -19.951 1.00 0.00 H new ATOM 0 HH TYR A 99 12.447 15.540 -19.775 1.00 0.00 H new ATOM 1527 N ASN A 100 11.617 22.296 -18.133 1.00 0.00 N ATOM 1528 CA ASN A 100 12.169 22.769 -19.398 1.00 0.00 C ATOM 1529 C ASN A 100 13.567 23.346 -19.199 1.00 0.00 C ATOM 1530 O ASN A 100 14.506 22.981 -19.905 1.00 0.00 O ATOM 1531 CB ASN A 100 11.251 23.827 -20.014 1.00 0.00 C ATOM 1532 CG ASN A 100 10.121 23.214 -20.819 1.00 0.00 C ATOM 1533 OD1 ASN A 100 10.268 22.945 -22.011 1.00 0.00 O ATOM 1534 ND2 ASN A 100 8.985 22.991 -20.168 1.00 0.00 N ATOM 0 H ASN A 100 10.625 22.494 -18.005 1.00 0.00 H new ATOM 0 HA ASN A 100 12.239 21.919 -20.076 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.834 24.448 -19.221 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.838 24.483 -20.657 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.189 22.581 -20.657 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.908 23.230 -19.179 1.00 0.00 H new ATOM 1541 N GLY A 101 13.697 24.249 -18.233 1.00 0.00 N ATOM 1542 CA GLY A 101 14.984 24.862 -17.958 1.00 0.00 C ATOM 1543 C GLY A 101 16.087 23.838 -17.777 1.00 0.00 C ATOM 1544 O GLY A 101 17.011 23.761 -18.586 1.00 0.00 O ATOM 0 H GLY A 101 12.934 24.568 -17.635 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.246 25.533 -18.776 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.908 25.472 -17.058 1.00 0.00 H new ATOM 1548 N TYR A 102 15.991 23.051 -16.711 1.00 0.00 N ATOM 1549 CA TYR A 102 16.991 22.029 -16.423 1.00 0.00 C ATOM 1550 C TYR A 102 17.403 21.297 -17.696 1.00 0.00 C ATOM 1551 O TYR A 102 18.590 21.101 -17.958 1.00 0.00 O ATOM 1552 CB TYR A 102 16.450 21.030 -15.399 1.00 0.00 C ATOM 1553 CG TYR A 102 17.504 20.098 -14.847 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.712 20.589 -14.367 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.294 18.725 -14.807 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.679 19.741 -13.863 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.254 17.869 -14.303 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.445 18.382 -13.832 1.00 0.00 C ATOM 1559 OH TYR A 102 20.405 17.533 -13.331 1.00 0.00 O ATOM 0 H TYR A 102 15.231 23.101 -16.032 1.00 0.00 H new ATOM 0 HA TYR A 102 17.870 22.523 -16.009 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.994 21.578 -14.575 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.661 20.438 -15.863 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.898 21.653 -14.388 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.364 18.320 -15.177 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.613 20.140 -13.495 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.073 16.805 -14.278 1.00 0.00 H new ATOM 0 HH TYR A 102 20.927 17.998 -12.644 1.00 0.00 H new ATOM 1569 N VAL A 103 16.413 20.895 -18.487 1.00 0.00 N ATOM 1570 CA VAL A 103 16.671 20.185 -19.734 1.00 0.00 C ATOM 1571 C VAL A 103 17.683 20.934 -20.593 1.00 0.00 C ATOM 1572 O VAL A 103 18.648 20.349 -21.086 1.00 0.00 O ATOM 1573 CB VAL A 103 15.376 19.984 -20.544 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.676 19.314 -21.875 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.368 19.172 -19.744 1.00 0.00 C ATOM 0 H VAL A 103 15.425 21.049 -18.286 1.00 0.00 H new ATOM 0 HA VAL A 103 17.077 19.210 -19.465 1.00 0.00 H new ATOM 0 HB VAL A 103 14.941 20.962 -20.748 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.749 19.181 -22.432 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.359 19.938 -22.451 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.136 18.342 -21.697 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.459 19.040 -20.331 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.792 18.196 -19.507 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.129 19.698 -18.819 1.00 0.00 H new ATOM 1585 N ILE A 104 17.457 22.232 -20.769 1.00 0.00 N ATOM 1586 CA ILE A 104 18.350 23.061 -21.568 1.00 0.00 C ATOM 1587 C ILE A 104 19.723 23.178 -20.914 1.00 0.00 C ATOM 1588 O ILE A 104 20.752 23.035 -21.575 1.00 0.00 O ATOM 1589 CB ILE A 104 17.772 24.473 -21.776 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.418 24.393 -22.485 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.743 25.331 -22.573 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.570 25.634 -22.309 1.00 0.00 C ATOM 0 H ILE A 104 16.663 22.732 -20.369 1.00 0.00 H new ATOM 0 HA ILE A 104 18.451 22.572 -22.537 1.00 0.00 H new ATOM 0 HB ILE A 104 17.624 24.937 -20.801 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.583 24.224 -23.549 1.00 0.00 H new ATOM 0 HG13 ILE A 104 15.869 23.531 -22.106 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.320 26.326 -22.712 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.687 25.410 -22.033 1.00 0.00 H new ATOM 0 HG23 ILE A 104 18.919 24.873 -23.546 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.625 25.507 -22.838 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.374 25.793 -21.249 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.099 26.497 -22.714 1.00 0.00 H new ATOM 1604 N HIS A 105 19.731 23.437 -19.610 1.00 0.00 N ATOM 1605 CA HIS A 105 20.978 23.571 -18.865 1.00 0.00 C ATOM 1606 C HIS A 105 21.959 22.467 -19.246 1.00 0.00 C ATOM 1607 O HIS A 105 23.060 22.739 -19.728 1.00 0.00 O ATOM 1608 CB HIS A 105 20.705 23.530 -17.361 1.00 0.00 C ATOM 1609 CG HIS A 105 21.945 23.410 -16.530 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.548 24.489 -15.918 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.695 22.330 -16.210 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.616 24.078 -15.258 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.728 22.771 -15.419 1.00 0.00 N ATOM 0 H HIS A 105 18.889 23.558 -19.048 1.00 0.00 H new ATOM 0 HA HIS A 105 21.423 24.533 -19.120 1.00 0.00 H new ATOM 0 HB2 HIS A 105 20.170 24.435 -17.072 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.048 22.688 -17.142 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.515 21.311 -16.519 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.284 24.704 -14.684 1.00 0.00 H new ATOM 0 HE2 HIS A 105 24.462 22.185 -15.021 1.00 0.00 H new ATOM 1622 N LEU A 106 21.555 21.221 -19.025 1.00 0.00 N ATOM 1623 CA LEU A 106 22.400 20.075 -19.345 1.00 0.00 C ATOM 1624 C LEU A 106 22.769 20.066 -20.825 1.00 0.00 C ATOM 1625 O LEU A 106 23.890 19.717 -21.193 1.00 0.00 O ATOM 1626 CB LEU A 106 21.686 18.773 -18.978 1.00 0.00 C ATOM 1627 CG LEU A 106 21.751 18.363 -17.506 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.832 17.182 -17.239 1.00 0.00 C ATOM 1629 CD2 LEU A 106 23.182 18.028 -17.108 1.00 0.00 C ATOM 0 H LEU A 106 20.648 20.978 -18.626 1.00 0.00 H new ATOM 0 HA LEU A 106 23.317 20.157 -18.762 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.638 18.864 -19.263 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.111 17.968 -19.578 1.00 0.00 H new ATOM 0 HG LEU A 106 21.413 19.204 -16.900 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.892 16.905 -16.187 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.806 17.457 -17.484 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.138 16.336 -17.855 1.00 0.00 H new ATOM 0 HD21 LEU A 106 23.209 17.738 -16.058 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.547 17.204 -17.721 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.816 18.902 -17.260 1.00 0.00 H new