USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=15 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 76 LYS NZ :NH3+ -157:sc= -0.0928 (180deg=-0.406) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -110:sc= 0.89 (180deg=-1.41) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -2.7 (180deg=-3.85) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 153:sc= -8.16! (180deg=-12.5!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc=-4.73e-05 (180deg=-0.122) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.158 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 79 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0971 X(o=-0.097,f=-0.021) USER MOD Single : A 83 MET CE :methyl -175:sc= -0.846 (180deg=-0.949) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= -1.21 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.888 USER MOD Single : A 100 ASN : amide:sc= -5.6! C(o=-5.6!,f=-6.6!) USER MOD Single : A 102 TYR OH : rot -151:sc= 1.01 USER MOD Single : A 105 HIS : no HE2:sc= -1.09 X(o=-1.1,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.781 12.080 1.380 1.00 0.00 N ATOM 664 CA LEU A 47 14.350 13.386 1.693 1.00 0.00 C ATOM 665 C LEU A 47 14.665 14.163 0.419 1.00 0.00 C ATOM 666 O LEU A 47 14.218 15.296 0.245 1.00 0.00 O ATOM 667 CB LEU A 47 15.618 13.224 2.532 1.00 0.00 C ATOM 668 CG LEU A 47 15.422 13.204 4.049 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.625 12.575 4.734 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.182 14.612 4.574 1.00 0.00 C ATOM 0 HA LEU A 47 13.612 13.948 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.109 12.296 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.300 14.038 2.285 1.00 0.00 H new ATOM 0 HG LEU A 47 14.544 12.599 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.468 12.569 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.751 11.552 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.520 13.152 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.045 14.579 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.041 15.240 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.289 15.027 4.107 1.00 0.00 H new ATOM 682 N GLU A 48 15.435 13.543 -0.470 1.00 0.00 N ATOM 683 CA GLU A 48 15.809 14.177 -1.729 1.00 0.00 C ATOM 684 C GLU A 48 14.587 14.778 -2.419 1.00 0.00 C ATOM 685 O GLU A 48 14.502 15.991 -2.611 1.00 0.00 O ATOM 686 CB GLU A 48 16.484 13.163 -2.655 1.00 0.00 C ATOM 687 CG GLU A 48 17.486 13.786 -3.613 1.00 0.00 C ATOM 688 CD GLU A 48 18.222 12.751 -4.441 1.00 0.00 C ATOM 689 OE1 GLU A 48 18.777 11.802 -3.849 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.244 12.892 -5.682 1.00 0.00 O ATOM 0 H GLU A 48 15.811 12.604 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 48 16.512 14.980 -1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.992 12.412 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.718 12.643 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.967 14.476 -4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.209 14.373 -3.046 1.00 0.00 H new ATOM 697 N LYS A 49 13.643 13.920 -2.790 1.00 0.00 N ATOM 698 CA LYS A 49 12.425 14.364 -3.458 1.00 0.00 C ATOM 699 C LYS A 49 11.938 15.688 -2.878 1.00 0.00 C ATOM 700 O LYS A 49 11.643 16.628 -3.615 1.00 0.00 O ATOM 701 CB LYS A 49 11.330 13.303 -3.325 1.00 0.00 C ATOM 702 CG LYS A 49 10.414 13.219 -4.534 1.00 0.00 C ATOM 703 CD LYS A 49 9.912 11.803 -4.756 1.00 0.00 C ATOM 704 CE LYS A 49 11.015 10.897 -5.285 1.00 0.00 C ATOM 705 NZ LYS A 49 11.069 10.900 -6.773 1.00 0.00 N ATOM 0 H LYS A 49 13.698 12.913 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 49 12.653 14.512 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.796 12.331 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.731 13.520 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.566 13.889 -4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.948 13.560 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.528 11.401 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.081 11.817 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.975 11.223 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.851 9.880 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.747 9.979 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.451 11.651 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.046 11.072 -7.085 1.00 0.00 H new ATOM 719 N ALA A 50 11.857 15.754 -1.553 1.00 0.00 N ATOM 720 CA ALA A 50 11.409 16.963 -0.874 1.00 0.00 C ATOM 721 C ALA A 50 12.206 18.179 -1.336 1.00 0.00 C ATOM 722 O ALA A 50 11.649 19.120 -1.900 1.00 0.00 O ATOM 723 CB ALA A 50 11.523 16.796 0.634 1.00 0.00 C ATOM 0 H ALA A 50 12.096 14.984 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 50 10.363 17.128 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.185 17.707 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.904 15.958 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.562 16.603 0.901 1.00 0.00 H new ATOM 729 N ALA A 51 13.512 18.152 -1.091 1.00 0.00 N ATOM 730 CA ALA A 51 14.385 19.251 -1.482 1.00 0.00 C ATOM 731 C ALA A 51 14.025 19.771 -2.870 1.00 0.00 C ATOM 732 O ALA A 51 13.542 20.894 -3.017 1.00 0.00 O ATOM 733 CB ALA A 51 15.841 18.808 -1.445 1.00 0.00 C ATOM 0 H ALA A 51 13.988 17.381 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 51 14.245 20.064 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.482 19.639 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.099 18.491 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 51 15.986 17.976 -2.134 1.00 0.00 H new ATOM 739 N VAL A 52 14.263 18.948 -3.886 1.00 0.00 N ATOM 740 CA VAL A 52 13.963 19.325 -5.262 1.00 0.00 C ATOM 741 C VAL A 52 12.578 19.953 -5.370 1.00 0.00 C ATOM 742 O VAL A 52 12.431 21.085 -5.832 1.00 0.00 O ATOM 743 CB VAL A 52 14.039 18.111 -6.206 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.893 18.551 -7.655 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.344 17.356 -5.998 1.00 0.00 C ATOM 0 H VAL A 52 14.663 18.015 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 52 14.715 20.056 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 52 13.215 17.438 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.949 17.680 -8.307 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.930 19.044 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.695 19.245 -7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.381 16.501 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.185 18.018 -6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.402 17.007 -4.967 1.00 0.00 H new ATOM 755 N LYS A 53 11.563 19.211 -4.940 1.00 0.00 N ATOM 756 CA LYS A 53 10.188 19.694 -4.986 1.00 0.00 C ATOM 757 C LYS A 53 10.078 21.083 -4.364 1.00 0.00 C ATOM 758 O LYS A 53 9.200 21.867 -4.723 1.00 0.00 O ATOM 759 CB LYS A 53 9.259 18.722 -4.256 1.00 0.00 C ATOM 760 CG LYS A 53 8.740 17.599 -5.137 1.00 0.00 C ATOM 761 CD LYS A 53 7.415 17.966 -5.785 1.00 0.00 C ATOM 762 CE LYS A 53 7.479 19.334 -6.448 1.00 0.00 C ATOM 763 NZ LYS A 53 8.282 19.304 -7.703 1.00 0.00 N ATOM 0 H LYS A 53 11.667 18.272 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 53 9.887 19.758 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.792 18.291 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.412 19.276 -3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.474 17.373 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.617 16.695 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.151 17.213 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.627 17.962 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.469 19.677 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.915 20.054 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.560 20.272 -7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.134 18.726 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.713 18.892 -8.470 1.00 0.00 H new ATOM 777 N LYS A 54 10.976 21.381 -3.431 1.00 0.00 N ATOM 778 CA LYS A 54 10.982 22.675 -2.761 1.00 0.00 C ATOM 779 C LYS A 54 11.673 23.730 -3.620 1.00 0.00 C ATOM 780 O LYS A 54 11.148 24.825 -3.816 1.00 0.00 O ATOM 781 CB LYS A 54 11.684 22.567 -1.405 1.00 0.00 C ATOM 782 CG LYS A 54 11.150 23.536 -0.365 1.00 0.00 C ATOM 783 CD LYS A 54 11.785 23.300 0.995 1.00 0.00 C ATOM 784 CE LYS A 54 11.281 24.298 2.026 1.00 0.00 C ATOM 785 NZ LYS A 54 9.899 23.979 2.479 1.00 0.00 N ATOM 0 H LYS A 54 11.709 20.743 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 54 9.947 22.980 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.577 21.549 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.750 22.746 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.345 24.559 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.068 23.427 -0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.564 22.286 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.869 23.379 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.952 24.303 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.301 25.301 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.593 24.683 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.253 23.999 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.884 23.032 2.909 1.00 0.00 H new ATOM 799 N MET A 55 12.852 23.390 -4.131 1.00 0.00 N ATOM 800 CA MET A 55 13.613 24.308 -4.972 1.00 0.00 C ATOM 801 C MET A 55 12.802 24.722 -6.196 1.00 0.00 C ATOM 802 O MET A 55 13.070 25.755 -6.809 1.00 0.00 O ATOM 803 CB MET A 55 14.927 23.660 -5.411 1.00 0.00 C ATOM 804 CG MET A 55 15.707 23.032 -4.267 1.00 0.00 C ATOM 805 SD MET A 55 17.263 22.298 -4.808 1.00 0.00 S ATOM 806 CE MET A 55 18.381 23.681 -4.596 1.00 0.00 C ATOM 0 H MET A 55 13.301 22.487 -3.978 1.00 0.00 H new ATOM 0 HA MET A 55 13.835 25.200 -4.386 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.714 22.895 -6.158 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.550 24.412 -5.895 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.911 23.791 -3.512 1.00 0.00 H new ATOM 0 HG3 MET A 55 15.094 22.266 -3.792 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.388 23.384 -4.890 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.052 24.513 -5.218 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.385 23.989 -3.550 1.00 0.00 H new ATOM 816 N ALA A 56 11.812 23.908 -6.548 1.00 0.00 N ATOM 817 CA ALA A 56 10.962 24.191 -7.698 1.00 0.00 C ATOM 818 C ALA A 56 9.848 25.166 -7.330 1.00 0.00 C ATOM 819 O ALA A 56 9.621 26.156 -8.025 1.00 0.00 O ATOM 820 CB ALA A 56 10.376 22.901 -8.251 1.00 0.00 C ATOM 0 H ALA A 56 11.579 23.047 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 56 11.577 24.657 -8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.743 23.127 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.184 22.238 -8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.780 22.412 -7.480 1.00 0.00 H new ATOM 826 N LYS A 57 9.155 24.878 -6.234 1.00 0.00 N ATOM 827 CA LYS A 57 8.064 25.728 -5.773 1.00 0.00 C ATOM 828 C LYS A 57 8.522 27.177 -5.639 1.00 0.00 C ATOM 829 O LYS A 57 7.742 28.106 -5.843 1.00 0.00 O ATOM 830 CB LYS A 57 7.530 25.225 -4.430 1.00 0.00 C ATOM 831 CG LYS A 57 6.944 23.825 -4.494 1.00 0.00 C ATOM 832 CD LYS A 57 6.962 23.151 -3.133 1.00 0.00 C ATOM 833 CE LYS A 57 6.025 23.843 -2.155 1.00 0.00 C ATOM 834 NZ LYS A 57 4.635 23.319 -2.254 1.00 0.00 N ATOM 0 H LYS A 57 9.330 24.062 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 57 7.266 25.685 -6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.339 25.238 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.765 25.914 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.920 23.875 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.510 23.225 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.671 22.106 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.977 23.160 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.394 23.704 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.024 24.915 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.027 23.816 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.273 23.474 -3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.632 22.301 -2.043 1.00 0.00 H new ATOM 848 N ALA A 58 9.793 27.361 -5.298 1.00 0.00 N ATOM 849 CA ALA A 58 10.356 28.697 -5.141 1.00 0.00 C ATOM 850 C ALA A 58 10.484 29.400 -6.488 1.00 0.00 C ATOM 851 O ALA A 58 10.343 30.620 -6.577 1.00 0.00 O ATOM 852 CB ALA A 58 11.711 28.621 -4.452 1.00 0.00 C ATOM 0 H ALA A 58 10.452 26.602 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 58 9.677 29.280 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.120 29.625 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.594 28.166 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.391 28.017 -5.052 1.00 0.00 H new ATOM 858 N ILE A 59 10.753 28.624 -7.532 1.00 0.00 N ATOM 859 CA ILE A 59 10.899 29.174 -8.874 1.00 0.00 C ATOM 860 C ILE A 59 9.550 29.601 -9.444 1.00 0.00 C ATOM 861 O ILE A 59 9.407 30.707 -9.964 1.00 0.00 O ATOM 862 CB ILE A 59 11.549 28.157 -9.831 1.00 0.00 C ATOM 863 CG1 ILE A 59 12.946 27.777 -9.334 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.619 28.726 -11.240 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.537 26.582 -10.049 1.00 0.00 C ATOM 0 H ILE A 59 10.874 27.613 -7.475 1.00 0.00 H new ATOM 0 HA ILE A 59 11.547 30.046 -8.788 1.00 0.00 H new ATOM 0 HB ILE A 59 10.935 27.257 -9.854 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.612 28.631 -9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 59 12.897 27.564 -8.266 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.081 27.996 -11.905 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.612 28.951 -11.592 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.214 29.639 -11.235 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.527 26.370 -9.646 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.892 25.715 -9.903 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.618 26.799 -11.114 1.00 0.00 H new ATOM 877 N MET A 60 8.564 28.716 -9.340 1.00 0.00 N ATOM 878 CA MET A 60 7.225 29.003 -9.842 1.00 0.00 C ATOM 879 C MET A 60 6.860 30.466 -9.612 1.00 0.00 C ATOM 880 O MET A 60 6.204 31.090 -10.445 1.00 0.00 O ATOM 881 CB MET A 60 6.197 28.096 -9.163 1.00 0.00 C ATOM 882 CG MET A 60 6.483 26.614 -9.340 1.00 0.00 C ATOM 883 SD MET A 60 5.064 25.579 -8.932 1.00 0.00 S ATOM 884 CE MET A 60 5.209 24.300 -10.177 1.00 0.00 C ATOM 0 H MET A 60 8.667 27.795 -8.913 1.00 0.00 H new ATOM 0 HA MET A 60 7.217 28.809 -10.915 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.168 28.327 -8.098 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.208 28.317 -9.565 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.780 26.426 -10.372 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.326 26.333 -8.709 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.757 23.380 -9.807 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.697 24.617 -11.085 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.262 24.124 -10.397 1.00 0.00 H new ATOM 894 N ALA A 61 7.290 31.007 -8.476 1.00 0.00 N ATOM 895 CA ALA A 61 7.009 32.397 -8.139 1.00 0.00 C ATOM 896 C ALA A 61 8.100 33.322 -8.668 1.00 0.00 C ATOM 897 O ALA A 61 7.832 34.220 -9.467 1.00 0.00 O ATOM 898 CB ALA A 61 6.866 32.556 -6.632 1.00 0.00 C ATOM 0 H ALA A 61 7.834 30.504 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 61 6.069 32.677 -8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.656 33.599 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.047 31.931 -6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.792 32.252 -6.145 1.00 0.00 H new ATOM 904 N ASP A 62 9.330 33.097 -8.218 1.00 0.00 N ATOM 905 CA ASP A 62 10.461 33.910 -8.647 1.00 0.00 C ATOM 906 C ASP A 62 11.245 33.210 -9.754 1.00 0.00 C ATOM 907 O ASP A 62 12.035 32.299 -9.507 1.00 0.00 O ATOM 908 CB ASP A 62 11.382 34.206 -7.462 1.00 0.00 C ATOM 909 CG ASP A 62 10.936 35.421 -6.672 1.00 0.00 C ATOM 910 OD1 ASP A 62 11.206 36.553 -7.123 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.318 35.239 -5.602 1.00 0.00 O ATOM 0 H ASP A 62 9.568 32.358 -7.556 1.00 0.00 H new ATOM 0 HA ASP A 62 10.073 34.850 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.412 33.338 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.397 34.365 -7.825 1.00 0.00 H new ATOM 916 N PRO A 63 11.022 33.645 -11.003 1.00 0.00 N ATOM 917 CA PRO A 63 11.696 33.074 -12.172 1.00 0.00 C ATOM 918 C PRO A 63 13.181 33.421 -12.212 1.00 0.00 C ATOM 919 O PRO A 63 13.886 33.063 -13.154 1.00 0.00 O ATOM 920 CB PRO A 63 10.965 33.717 -13.353 1.00 0.00 C ATOM 921 CG PRO A 63 10.423 34.995 -12.813 1.00 0.00 C ATOM 922 CD PRO A 63 10.094 34.728 -11.370 1.00 0.00 C ATOM 0 HA PRO A 63 11.658 31.985 -12.172 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.642 33.896 -14.188 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.167 33.073 -13.722 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.154 35.798 -12.904 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.536 35.307 -13.364 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.246 35.614 -10.753 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.054 34.426 -11.244 1.00 0.00 H new ATOM 930 N ASN A 64 13.648 34.120 -11.182 1.00 0.00 N ATOM 931 CA ASN A 64 15.049 34.515 -11.100 1.00 0.00 C ATOM 932 C ASN A 64 15.869 33.462 -10.360 1.00 0.00 C ATOM 933 O ASN A 64 17.045 33.251 -10.660 1.00 0.00 O ATOM 934 CB ASN A 64 15.179 35.867 -10.395 1.00 0.00 C ATOM 935 CG ASN A 64 14.056 36.819 -10.759 1.00 0.00 C ATOM 936 OD1 ASN A 64 13.765 37.032 -11.936 1.00 0.00 O ATOM 937 ND2 ASN A 64 13.420 37.397 -9.748 1.00 0.00 N ATOM 0 H ASN A 64 13.077 34.424 -10.393 1.00 0.00 H new ATOM 0 HA ASN A 64 15.436 34.603 -12.115 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.185 35.712 -9.316 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.135 36.320 -10.657 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.656 38.047 -9.931 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.695 37.191 -8.788 1.00 0.00 H new ATOM 944 N LYS A 65 15.241 32.804 -9.393 1.00 0.00 N ATOM 945 CA LYS A 65 15.910 31.771 -8.610 1.00 0.00 C ATOM 946 C LYS A 65 16.291 30.584 -9.489 1.00 0.00 C ATOM 947 O LYS A 65 17.367 30.006 -9.335 1.00 0.00 O ATOM 948 CB LYS A 65 15.006 31.303 -7.467 1.00 0.00 C ATOM 949 CG LYS A 65 15.062 32.199 -6.242 1.00 0.00 C ATOM 950 CD LYS A 65 16.309 31.935 -5.414 1.00 0.00 C ATOM 951 CE LYS A 65 16.134 30.722 -4.513 1.00 0.00 C ATOM 952 NZ LYS A 65 15.225 31.008 -3.369 1.00 0.00 N ATOM 0 H LYS A 65 14.269 32.967 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 65 16.821 32.199 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.978 31.255 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.292 30.291 -7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.045 33.244 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.176 32.035 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.160 31.778 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.536 32.811 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.735 29.892 -5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.107 30.407 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.326 30.263 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.472 31.928 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.241 31.033 -3.705 1.00 0.00 H new ATOM 966 N ALA A 66 15.404 30.227 -10.411 1.00 0.00 N ATOM 967 CA ALA A 66 15.650 29.112 -11.317 1.00 0.00 C ATOM 968 C ALA A 66 17.109 29.074 -11.759 1.00 0.00 C ATOM 969 O ALA A 66 17.783 28.054 -11.621 1.00 0.00 O ATOM 970 CB ALA A 66 14.732 29.202 -12.527 1.00 0.00 C ATOM 0 H ALA A 66 14.508 30.694 -10.551 1.00 0.00 H new ATOM 0 HA ALA A 66 15.436 28.187 -10.781 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.927 28.363 -13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.693 29.171 -12.199 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.917 30.137 -13.056 1.00 0.00 H new ATOM 976 N ASP A 67 17.590 30.193 -12.290 1.00 0.00 N ATOM 977 CA ASP A 67 18.970 30.288 -12.752 1.00 0.00 C ATOM 978 C ASP A 67 19.922 29.631 -11.757 1.00 0.00 C ATOM 979 O ASP A 67 20.703 28.752 -12.120 1.00 0.00 O ATOM 980 CB ASP A 67 19.361 31.752 -12.960 1.00 0.00 C ATOM 981 CG ASP A 67 18.493 32.441 -13.995 1.00 0.00 C ATOM 982 OD1 ASP A 67 18.364 31.903 -15.115 1.00 0.00 O ATOM 983 OD2 ASP A 67 17.942 33.518 -13.684 1.00 0.00 O ATOM 0 H ASP A 67 17.045 31.047 -12.411 1.00 0.00 H new ATOM 0 HA ASP A 67 19.046 29.761 -13.703 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.283 32.284 -12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.404 31.806 -13.271 1.00 0.00 H new ATOM 988 N GLU A 68 19.852 30.066 -10.503 1.00 0.00 N ATOM 989 CA GLU A 68 20.710 29.521 -9.457 1.00 0.00 C ATOM 990 C GLU A 68 20.469 28.024 -9.281 1.00 0.00 C ATOM 991 O GLU A 68 21.403 27.224 -9.326 1.00 0.00 O ATOM 992 CB GLU A 68 20.463 30.248 -8.133 1.00 0.00 C ATOM 993 CG GLU A 68 21.073 29.547 -6.931 1.00 0.00 C ATOM 994 CD GLU A 68 22.588 29.613 -6.925 1.00 0.00 C ATOM 995 OE1 GLU A 68 23.134 30.725 -6.767 1.00 0.00 O ATOM 996 OE2 GLU A 68 23.228 28.551 -7.077 1.00 0.00 O ATOM 0 H GLU A 68 19.211 30.793 -10.187 1.00 0.00 H new ATOM 0 HA GLU A 68 21.747 29.672 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.871 31.257 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.389 30.348 -7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.690 30.001 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.758 28.503 -6.925 1.00 0.00 H new ATOM 1003 N VAL A 69 19.208 27.653 -9.079 1.00 0.00 N ATOM 1004 CA VAL A 69 18.843 26.254 -8.896 1.00 0.00 C ATOM 1005 C VAL A 69 19.504 25.371 -9.949 1.00 0.00 C ATOM 1006 O VAL A 69 20.253 24.451 -9.621 1.00 0.00 O ATOM 1007 CB VAL A 69 17.316 26.059 -8.964 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.966 24.579 -8.947 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.635 26.790 -7.817 1.00 0.00 C ATOM 0 H VAL A 69 18.423 28.303 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 69 19.196 25.962 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 69 16.954 26.483 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.884 24.461 -8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.424 24.087 -9.805 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.339 24.127 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.557 26.642 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.000 26.398 -6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.859 27.855 -7.880 1.00 0.00 H new ATOM 1019 N TYR A 70 19.222 25.658 -11.215 1.00 0.00 N ATOM 1020 CA TYR A 70 19.788 24.889 -12.317 1.00 0.00 C ATOM 1021 C TYR A 70 21.239 24.515 -12.032 1.00 0.00 C ATOM 1022 O TYR A 70 21.614 23.344 -12.089 1.00 0.00 O ATOM 1023 CB TYR A 70 19.702 25.686 -13.620 1.00 0.00 C ATOM 1024 CG TYR A 70 18.284 25.956 -14.072 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.306 24.974 -13.979 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.924 27.192 -14.593 1.00 0.00 C ATOM 1027 CE1 TYR A 70 16.010 25.215 -14.392 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.630 27.444 -15.006 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.677 26.452 -14.904 1.00 0.00 C ATOM 1030 OH TYR A 70 14.387 26.698 -15.316 1.00 0.00 O ATOM 0 H TYR A 70 18.605 26.417 -11.504 1.00 0.00 H new ATOM 0 HA TYR A 70 19.209 23.971 -12.421 1.00 0.00 H new ATOM 0 HB2 TYR A 70 20.220 26.636 -13.490 1.00 0.00 H new ATOM 0 HB3 TYR A 70 20.227 25.141 -14.405 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.563 24.005 -13.577 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.669 27.970 -14.677 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.262 24.440 -14.315 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.366 28.412 -15.406 1.00 0.00 H new ATOM 0 HH TYR A 70 14.320 27.617 -15.650 1.00 0.00 H new ATOM 1040 N LYS A 71 22.052 25.519 -11.723 1.00 0.00 N ATOM 1041 CA LYS A 71 23.463 25.299 -11.426 1.00 0.00 C ATOM 1042 C LYS A 71 23.628 24.352 -10.242 1.00 0.00 C ATOM 1043 O LYS A 71 24.481 23.465 -10.257 1.00 0.00 O ATOM 1044 CB LYS A 71 24.157 26.630 -11.129 1.00 0.00 C ATOM 1045 CG LYS A 71 24.669 27.339 -12.371 1.00 0.00 C ATOM 1046 CD LYS A 71 23.593 28.207 -13.001 1.00 0.00 C ATOM 1047 CE LYS A 71 24.102 28.902 -14.255 1.00 0.00 C ATOM 1048 NZ LYS A 71 24.954 30.079 -13.930 1.00 0.00 N ATOM 0 H LYS A 71 21.758 26.494 -11.672 1.00 0.00 H new ATOM 0 HA LYS A 71 23.926 24.843 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.459 27.286 -10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.993 26.451 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.529 27.956 -12.110 1.00 0.00 H new ATOM 0 HG3 LYS A 71 25.014 26.602 -13.096 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.728 27.593 -13.250 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.258 28.953 -12.281 1.00 0.00 H new ATOM 0 HE2 LYS A 71 24.674 28.195 -14.855 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.255 29.223 -14.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 25.281 30.525 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 24.401 30.766 -13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 25.776 29.769 -13.373 1.00 0.00 H new ATOM 1062 N LYS A 72 22.805 24.545 -9.217 1.00 0.00 N ATOM 1063 CA LYS A 72 22.857 23.707 -8.025 1.00 0.00 C ATOM 1064 C LYS A 72 22.546 22.254 -8.367 1.00 0.00 C ATOM 1065 O LYS A 72 23.358 21.361 -8.124 1.00 0.00 O ATOM 1066 CB LYS A 72 21.869 24.217 -6.974 1.00 0.00 C ATOM 1067 CG LYS A 72 22.344 25.464 -6.247 1.00 0.00 C ATOM 1068 CD LYS A 72 21.329 25.929 -5.216 1.00 0.00 C ATOM 1069 CE LYS A 72 21.805 27.178 -4.490 1.00 0.00 C ATOM 1070 NZ LYS A 72 20.959 27.486 -3.303 1.00 0.00 N ATOM 0 H LYS A 72 22.093 25.275 -9.188 1.00 0.00 H new ATOM 0 HA LYS A 72 23.868 23.758 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.915 24.429 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.688 23.428 -6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.295 25.260 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.522 26.261 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.377 26.132 -5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.151 25.132 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.839 27.042 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.790 28.025 -5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.316 28.344 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.977 27.641 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.993 26.689 -2.636 1.00 0.00 H new ATOM 1084 N TRP A 73 21.367 22.024 -8.933 1.00 0.00 N ATOM 1085 CA TRP A 73 20.949 20.678 -9.311 1.00 0.00 C ATOM 1086 C TRP A 73 22.046 19.969 -10.097 1.00 0.00 C ATOM 1087 O TRP A 73 22.667 19.029 -9.603 1.00 0.00 O ATOM 1088 CB TRP A 73 19.665 20.734 -10.139 1.00 0.00 C ATOM 1089 CG TRP A 73 18.430 20.916 -9.310 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.262 20.562 -8.001 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.190 21.494 -9.733 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.993 20.885 -7.586 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.316 21.459 -8.629 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.735 22.040 -10.936 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.014 21.947 -8.696 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.442 22.524 -11.000 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.594 22.476 -9.886 1.00 0.00 C ATOM 0 H TRP A 73 20.683 22.752 -9.141 1.00 0.00 H new ATOM 0 HA TRP A 73 20.759 20.113 -8.398 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.738 21.554 -10.854 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.574 19.814 -10.717 1.00 0.00 H new ATOM 0 HD1 TRP A 73 19.016 20.097 -7.383 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.616 20.723 -6.652 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.382 22.083 -11.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.358 21.909 -7.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.079 22.947 -11.925 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.589 22.864 -9.968 1.00 0.00 H new ATOM 1108 N ALA A 74 22.279 20.425 -11.323 1.00 0.00 N ATOM 1109 CA ALA A 74 23.302 19.835 -12.177 1.00 0.00 C ATOM 1110 C ALA A 74 24.535 19.447 -11.367 1.00 0.00 C ATOM 1111 O ALA A 74 25.187 18.443 -11.654 1.00 0.00 O ATOM 1112 CB ALA A 74 23.682 20.800 -13.290 1.00 0.00 C ATOM 0 H ALA A 74 21.773 21.202 -11.747 1.00 0.00 H new ATOM 0 HA ALA A 74 22.891 18.929 -12.622 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.447 20.346 -13.920 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.802 21.025 -13.893 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.070 21.722 -12.856 1.00 0.00 H new ATOM 1118 N ASP A 75 24.849 20.249 -10.356 1.00 0.00 N ATOM 1119 CA ASP A 75 26.004 19.989 -9.504 1.00 0.00 C ATOM 1120 C ASP A 75 25.806 18.711 -8.694 1.00 0.00 C ATOM 1121 O ASP A 75 26.694 17.862 -8.626 1.00 0.00 O ATOM 1122 CB ASP A 75 26.248 21.171 -8.565 1.00 0.00 C ATOM 1123 CG ASP A 75 27.703 21.295 -8.156 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.090 20.673 -7.145 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.454 22.014 -8.847 1.00 0.00 O ATOM 0 H ASP A 75 24.320 21.085 -10.106 1.00 0.00 H new ATOM 0 HA ASP A 75 26.876 19.859 -10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.932 22.092 -9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.632 21.056 -7.673 1.00 0.00 H new ATOM 1130 N LYS A 76 24.634 18.583 -8.080 1.00 0.00 N ATOM 1131 CA LYS A 76 24.317 17.410 -7.274 1.00 0.00 C ATOM 1132 C LYS A 76 24.518 16.128 -8.077 1.00 0.00 C ATOM 1133 O LYS A 76 24.897 15.094 -7.529 1.00 0.00 O ATOM 1134 CB LYS A 76 22.875 17.487 -6.768 1.00 0.00 C ATOM 1135 CG LYS A 76 22.563 18.769 -6.015 1.00 0.00 C ATOM 1136 CD LYS A 76 23.166 18.756 -4.620 1.00 0.00 C ATOM 1137 CE LYS A 76 22.252 18.060 -3.624 1.00 0.00 C ATOM 1138 NZ LYS A 76 20.997 18.827 -3.392 1.00 0.00 N ATOM 0 H LYS A 76 23.888 19.277 -8.125 1.00 0.00 H new ATOM 0 HA LYS A 76 24.994 17.393 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.196 17.399 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.682 16.636 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.950 19.623 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.483 18.897 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 76 24.131 18.250 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.350 19.779 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.006 17.064 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.778 17.930 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.594 18.563 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.206 19.846 -3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.313 18.609 -4.144 1.00 0.00 H new ATOM 1152 N GLY A 77 24.260 16.204 -9.379 1.00 0.00 N ATOM 1153 CA GLY A 77 24.420 15.043 -10.236 1.00 0.00 C ATOM 1154 C GLY A 77 23.091 14.437 -10.643 1.00 0.00 C ATOM 1155 O GLY A 77 22.946 13.215 -10.683 1.00 0.00 O ATOM 0 H GLY A 77 23.943 17.048 -9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.975 15.328 -11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.015 14.291 -9.718 1.00 0.00 H new ATOM 1159 N TYR A 78 22.120 15.291 -10.944 1.00 0.00 N ATOM 1160 CA TYR A 78 20.796 14.832 -11.345 1.00 0.00 C ATOM 1161 C TYR A 78 20.644 14.868 -12.863 1.00 0.00 C ATOM 1162 O TYR A 78 21.402 15.544 -13.560 1.00 0.00 O ATOM 1163 CB TYR A 78 19.714 15.696 -10.693 1.00 0.00 C ATOM 1164 CG TYR A 78 19.759 15.683 -9.182 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.952 14.498 -8.483 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.609 16.856 -8.453 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.993 14.482 -7.102 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.650 16.850 -7.072 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.842 15.660 -6.402 1.00 0.00 C ATOM 1170 OH TYR A 78 19.882 15.649 -5.026 1.00 0.00 O ATOM 0 H TYR A 78 22.225 16.305 -10.918 1.00 0.00 H new ATOM 0 HA TYR A 78 20.680 13.801 -11.010 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.821 16.723 -11.043 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.735 15.348 -11.022 1.00 0.00 H new ATOM 0 HD1 TYR A 78 20.072 13.574 -9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.458 17.789 -8.975 1.00 0.00 H new ATOM 0 HE1 TYR A 78 20.143 13.552 -6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.532 17.771 -6.521 1.00 0.00 H new ATOM 0 HH TYR A 78 19.760 16.561 -4.688 1.00 0.00 H new ATOM 1180 N THR A 79 19.658 14.134 -13.370 1.00 0.00 N ATOM 1181 CA THR A 79 19.406 14.080 -14.804 1.00 0.00 C ATOM 1182 C THR A 79 17.914 13.966 -15.096 1.00 0.00 C ATOM 1183 O THR A 79 17.127 13.596 -14.224 1.00 0.00 O ATOM 1184 CB THR A 79 20.137 12.893 -15.459 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.799 12.815 -16.849 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.773 11.586 -14.770 1.00 0.00 C ATOM 0 H THR A 79 19.021 13.569 -12.808 1.00 0.00 H new ATOM 0 HA THR A 79 19.787 15.010 -15.227 1.00 0.00 H new ATOM 0 HB THR A 79 21.210 13.054 -15.355 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.269 12.059 -17.258 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.301 10.762 -15.250 1.00 0.00 H new ATOM 0 HG22 THR A 79 20.058 11.637 -13.719 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.698 11.421 -14.847 1.00 0.00 H new ATOM 1194 N LEU A 80 17.530 14.287 -16.327 1.00 0.00 N ATOM 1195 CA LEU A 80 16.131 14.220 -16.734 1.00 0.00 C ATOM 1196 C LEU A 80 15.415 13.069 -16.036 1.00 0.00 C ATOM 1197 O LEU A 80 14.283 13.215 -15.574 1.00 0.00 O ATOM 1198 CB LEU A 80 16.029 14.054 -18.251 1.00 0.00 C ATOM 1199 CG LEU A 80 16.749 15.108 -19.092 1.00 0.00 C ATOM 1200 CD1 LEU A 80 16.499 14.872 -20.574 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.304 16.506 -18.691 1.00 0.00 C ATOM 0 H LEU A 80 18.168 14.596 -17.060 1.00 0.00 H new ATOM 0 HA LEU A 80 15.648 15.153 -16.443 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.425 13.074 -18.516 1.00 0.00 H new ATOM 0 HB3 LEU A 80 14.974 14.057 -18.526 1.00 0.00 H new ATOM 0 HG LEU A 80 17.820 15.022 -18.907 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.020 15.632 -21.156 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.869 13.885 -20.853 1.00 0.00 H new ATOM 0 HD13 LEU A 80 15.429 14.929 -20.776 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.827 17.243 -19.300 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.229 16.604 -18.846 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.536 16.674 -17.639 1.00 0.00 H new ATOM 1213 N THR A 81 16.083 11.922 -15.959 1.00 0.00 N ATOM 1214 CA THR A 81 15.512 10.746 -15.316 1.00 0.00 C ATOM 1215 C THR A 81 15.198 11.019 -13.849 1.00 0.00 C ATOM 1216 O THR A 81 14.037 11.001 -13.441 1.00 0.00 O ATOM 1217 CB THR A 81 16.462 9.537 -15.408 1.00 0.00 C ATOM 1218 OG1 THR A 81 16.778 9.266 -16.779 1.00 0.00 O ATOM 1219 CG2 THR A 81 15.835 8.305 -14.775 1.00 0.00 C ATOM 0 H THR A 81 17.021 11.783 -16.335 1.00 0.00 H new ATOM 0 HA THR A 81 14.588 10.514 -15.846 1.00 0.00 H new ATOM 0 HB THR A 81 17.375 9.779 -14.865 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.384 8.497 -16.829 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.525 7.465 -14.853 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.622 8.504 -13.725 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.908 8.062 -15.293 1.00 0.00 H new ATOM 1227 N GLN A 82 16.239 11.273 -13.063 1.00 0.00 N ATOM 1228 CA GLN A 82 16.072 11.550 -11.641 1.00 0.00 C ATOM 1229 C GLN A 82 15.284 12.838 -11.426 1.00 0.00 C ATOM 1230 O GLN A 82 14.252 12.840 -10.756 1.00 0.00 O ATOM 1231 CB GLN A 82 17.437 11.654 -10.957 1.00 0.00 C ATOM 1232 CG GLN A 82 18.101 10.308 -10.717 1.00 0.00 C ATOM 1233 CD GLN A 82 17.473 9.543 -9.568 1.00 0.00 C ATOM 1234 OE1 GLN A 82 17.846 9.726 -8.409 1.00 0.00 O ATOM 1235 NE2 GLN A 82 16.514 8.681 -9.884 1.00 0.00 N ATOM 0 H GLN A 82 17.206 11.293 -13.386 1.00 0.00 H new ATOM 0 HA GLN A 82 15.513 10.725 -11.199 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.095 12.270 -11.570 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.318 12.166 -10.002 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.037 9.709 -11.625 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.160 10.462 -10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.237 8.561 -10.858 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.055 8.138 -9.153 1.00 0.00 H new ATOM 1244 N MET A 83 15.776 13.930 -12.000 1.00 0.00 N ATOM 1245 CA MET A 83 15.116 15.224 -11.872 1.00 0.00 C ATOM 1246 C MET A 83 13.600 15.070 -11.933 1.00 0.00 C ATOM 1247 O MET A 83 12.895 15.384 -10.974 1.00 0.00 O ATOM 1248 CB MET A 83 15.589 16.174 -12.975 1.00 0.00 C ATOM 1249 CG MET A 83 14.909 17.533 -12.938 1.00 0.00 C ATOM 1250 SD MET A 83 14.956 18.290 -11.303 1.00 0.00 S ATOM 1251 CE MET A 83 16.721 18.325 -10.996 1.00 0.00 C ATOM 0 H MET A 83 16.629 13.945 -12.558 1.00 0.00 H new ATOM 0 HA MET A 83 15.382 15.644 -10.902 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.666 16.313 -12.886 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.406 15.711 -13.945 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.393 18.196 -13.655 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.871 17.424 -13.254 1.00 0.00 H new ATOM 0 HE1 MET A 83 16.907 18.685 -9.984 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.129 17.320 -11.105 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.202 18.991 -11.712 1.00 0.00 H new ATOM 1261 N SER A 84 13.104 14.583 -13.066 1.00 0.00 N ATOM 1262 CA SER A 84 11.671 14.391 -13.254 1.00 0.00 C ATOM 1263 C SER A 84 11.057 13.677 -12.053 1.00 0.00 C ATOM 1264 O SER A 84 10.180 14.214 -11.379 1.00 0.00 O ATOM 1265 CB SER A 84 11.405 13.589 -14.529 1.00 0.00 C ATOM 1266 OG SER A 84 10.087 13.806 -15.002 1.00 0.00 O ATOM 0 H SER A 84 13.674 14.314 -13.868 1.00 0.00 H new ATOM 0 HA SER A 84 11.207 15.373 -13.348 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.122 13.874 -15.298 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.554 12.527 -14.332 1.00 0.00 H new ATOM 0 HG SER A 84 9.942 13.284 -15.819 1.00 0.00 H new ATOM 1272 N ASN A 85 11.527 12.461 -11.793 1.00 0.00 N ATOM 1273 CA ASN A 85 11.024 11.671 -10.674 1.00 0.00 C ATOM 1274 C ASN A 85 10.791 12.550 -9.449 1.00 0.00 C ATOM 1275 O ASN A 85 9.939 12.253 -8.611 1.00 0.00 O ATOM 1276 CB ASN A 85 12.008 10.550 -10.332 1.00 0.00 C ATOM 1277 CG ASN A 85 11.748 9.288 -11.131 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.693 9.137 -11.748 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.711 8.374 -11.124 1.00 0.00 N ATOM 0 H ASN A 85 12.254 12.002 -12.341 1.00 0.00 H new ATOM 0 HA ASN A 85 10.071 11.232 -10.970 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.025 10.893 -10.521 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.941 10.323 -9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.593 7.505 -11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.569 8.541 -10.599 1.00 0.00 H new ATOM 1286 N PHE A 86 11.553 13.634 -9.352 1.00 0.00 N ATOM 1287 CA PHE A 86 11.430 14.557 -8.230 1.00 0.00 C ATOM 1288 C PHE A 86 10.348 15.599 -8.498 1.00 0.00 C ATOM 1289 O PHE A 86 9.543 15.915 -7.621 1.00 0.00 O ATOM 1290 CB PHE A 86 12.767 15.251 -7.964 1.00 0.00 C ATOM 1291 CG PHE A 86 13.895 14.297 -7.695 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.714 13.208 -6.857 1.00 0.00 C ATOM 1293 CD2 PHE A 86 15.137 14.488 -8.280 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.750 12.327 -6.608 1.00 0.00 C ATOM 1295 CE2 PHE A 86 16.176 13.610 -8.035 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.983 12.530 -7.197 1.00 0.00 C ATOM 0 H PHE A 86 12.262 13.895 -10.037 1.00 0.00 H new ATOM 0 HA PHE A 86 11.145 13.982 -7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 86 13.023 15.870 -8.824 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.656 15.920 -7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.752 13.046 -6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.295 15.332 -8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.596 11.481 -5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 86 17.138 13.769 -8.499 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.795 11.845 -7.002 1.00 0.00 H new ATOM 1306 N LEU A 87 10.335 16.130 -9.716 1.00 0.00 N ATOM 1307 CA LEU A 87 9.353 17.137 -10.102 1.00 0.00 C ATOM 1308 C LEU A 87 8.053 16.483 -10.557 1.00 0.00 C ATOM 1309 O LEU A 87 7.318 17.039 -11.374 1.00 0.00 O ATOM 1310 CB LEU A 87 9.911 18.020 -11.219 1.00 0.00 C ATOM 1311 CG LEU A 87 11.170 18.818 -10.878 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.672 19.573 -12.099 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.898 19.779 -9.730 1.00 0.00 C ATOM 0 H LEU A 87 10.994 15.880 -10.453 1.00 0.00 H new ATOM 0 HA LEU A 87 9.141 17.756 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.128 17.388 -12.080 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.133 18.720 -11.525 1.00 0.00 H new ATOM 0 HG LEU A 87 11.945 18.119 -10.565 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.568 20.135 -11.836 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.907 18.865 -12.893 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.900 20.261 -12.444 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.805 20.338 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.107 20.472 -10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.587 19.216 -8.850 1.00 0.00 H new ATOM 1325 N LYS A 88 7.773 15.299 -10.022 1.00 0.00 N ATOM 1326 CA LYS A 88 6.559 14.569 -10.370 1.00 0.00 C ATOM 1327 C LYS A 88 5.521 14.678 -9.257 1.00 0.00 C ATOM 1328 O LYS A 88 5.524 13.887 -8.314 1.00 0.00 O ATOM 1329 CB LYS A 88 6.883 13.098 -10.638 1.00 0.00 C ATOM 1330 CG LYS A 88 7.392 12.834 -12.044 1.00 0.00 C ATOM 1331 CD LYS A 88 6.257 12.822 -13.055 1.00 0.00 C ATOM 1332 CE LYS A 88 6.774 12.999 -14.475 1.00 0.00 C ATOM 1333 NZ LYS A 88 5.670 13.269 -15.437 1.00 0.00 N ATOM 0 H LYS A 88 8.371 14.824 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 88 6.144 15.014 -11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.632 12.763 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.988 12.500 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.117 13.600 -12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.913 11.877 -12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.711 11.881 -12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.552 13.619 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.488 13.822 -14.502 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.311 12.101 -14.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.063 13.384 -16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.001 12.472 -15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.174 14.140 -15.160 1.00 0.00 H new ATOM 1433 N TYR A 95 5.391 21.727 -12.367 1.00 0.00 N ATOM 1434 CA TYR A 95 6.762 22.222 -12.378 1.00 0.00 C ATOM 1435 C TYR A 95 7.438 21.925 -13.713 1.00 0.00 C ATOM 1436 O TYR A 95 8.649 21.713 -13.775 1.00 0.00 O ATOM 1437 CB TYR A 95 7.563 21.593 -11.237 1.00 0.00 C ATOM 1438 CG TYR A 95 6.919 21.763 -9.880 1.00 0.00 C ATOM 1439 CD1 TYR A 95 5.879 20.937 -9.474 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.353 22.750 -9.002 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.287 21.090 -8.235 1.00 0.00 C ATOM 1442 CE2 TYR A 95 6.768 22.909 -7.761 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.736 22.077 -7.382 1.00 0.00 C ATOM 1444 OH TYR A 95 5.150 22.231 -6.146 1.00 0.00 O ATOM 0 HA TYR A 95 6.732 23.303 -12.239 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.692 20.529 -11.438 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.559 22.036 -11.216 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.527 20.162 -10.138 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.161 23.403 -9.295 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.477 20.441 -7.936 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.117 23.681 -7.091 1.00 0.00 H new ATOM 0 HH TYR A 95 4.820 21.364 -5.830 1.00 0.00 H new ATOM 1454 N ASP A 96 6.646 21.912 -14.780 1.00 0.00 N ATOM 1455 CA ASP A 96 7.166 21.643 -16.115 1.00 0.00 C ATOM 1456 C ASP A 96 8.037 22.797 -16.602 1.00 0.00 C ATOM 1457 O ASP A 96 9.130 22.584 -17.127 1.00 0.00 O ATOM 1458 CB ASP A 96 6.016 21.407 -17.095 1.00 0.00 C ATOM 1459 CG ASP A 96 6.476 20.745 -18.380 1.00 0.00 C ATOM 1460 OD1 ASP A 96 7.680 20.843 -18.698 1.00 0.00 O ATOM 1461 OD2 ASP A 96 5.633 20.132 -19.067 1.00 0.00 O ATOM 0 H ASP A 96 5.641 22.085 -14.746 1.00 0.00 H new ATOM 0 HA ASP A 96 7.781 20.744 -16.064 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.259 20.783 -16.619 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.542 22.360 -17.330 1.00 0.00 H new ATOM 1466 N ARG A 97 7.545 24.018 -16.425 1.00 0.00 N ATOM 1467 CA ARG A 97 8.277 25.206 -16.849 1.00 0.00 C ATOM 1468 C ARG A 97 9.698 25.196 -16.292 1.00 0.00 C ATOM 1469 O ARG A 97 10.601 25.812 -16.856 1.00 0.00 O ATOM 1470 CB ARG A 97 7.548 26.470 -16.392 1.00 0.00 C ATOM 1471 CG ARG A 97 7.132 26.440 -14.931 1.00 0.00 C ATOM 1472 CD ARG A 97 6.759 27.826 -14.428 1.00 0.00 C ATOM 1473 NE ARG A 97 5.358 28.145 -14.690 1.00 0.00 N ATOM 1474 CZ ARG A 97 4.917 28.621 -15.848 1.00 0.00 C ATOM 1475 NH1 ARG A 97 5.762 28.833 -16.847 1.00 0.00 N ATOM 1476 NH2 ARG A 97 3.627 28.887 -16.009 1.00 0.00 N ATOM 0 H ARG A 97 6.642 24.211 -15.991 1.00 0.00 H new ATOM 0 HA ARG A 97 8.331 25.200 -17.938 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.194 27.332 -16.559 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.662 26.611 -17.010 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.284 25.767 -14.807 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.947 26.040 -14.328 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.950 27.886 -13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.396 28.569 -14.908 1.00 0.00 H new ATOM 0 HE ARG A 97 4.681 27.994 -13.942 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.754 28.630 -16.727 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.420 29.199 -17.736 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.974 28.726 -15.243 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.289 29.253 -16.899 1.00 0.00 H new ATOM 1490 N VAL A 98 9.887 24.491 -15.181 1.00 0.00 N ATOM 1491 CA VAL A 98 11.197 24.400 -14.547 1.00 0.00 C ATOM 1492 C VAL A 98 11.999 23.232 -15.109 1.00 0.00 C ATOM 1493 O VAL A 98 13.215 23.323 -15.276 1.00 0.00 O ATOM 1494 CB VAL A 98 11.073 24.237 -13.021 1.00 0.00 C ATOM 1495 CG1 VAL A 98 12.448 24.109 -12.383 1.00 0.00 C ATOM 1496 CG2 VAL A 98 10.304 25.405 -12.421 1.00 0.00 C ATOM 0 H VAL A 98 9.150 23.975 -14.701 1.00 0.00 H new ATOM 0 HA VAL A 98 11.718 25.333 -14.763 1.00 0.00 H new ATOM 0 HB VAL A 98 10.518 23.322 -12.815 1.00 0.00 H new ATOM 0 HG11 VAL A 98 12.339 23.995 -11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.959 23.237 -12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.033 25.004 -12.596 1.00 0.00 H new ATOM 0 HG21 VAL A 98 10.226 25.273 -11.342 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.830 26.335 -12.636 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.305 25.444 -12.855 1.00 0.00 H new ATOM 1506 N TYR A 99 11.310 22.134 -15.399 1.00 0.00 N ATOM 1507 CA TYR A 99 11.958 20.945 -15.941 1.00 0.00 C ATOM 1508 C TYR A 99 12.623 21.250 -17.280 1.00 0.00 C ATOM 1509 O TYR A 99 13.767 20.867 -17.518 1.00 0.00 O ATOM 1510 CB TYR A 99 10.940 19.816 -16.110 1.00 0.00 C ATOM 1511 CG TYR A 99 11.503 18.591 -16.795 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.359 17.727 -16.123 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.179 18.298 -18.114 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.876 16.607 -16.745 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.691 17.180 -18.743 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.538 16.338 -18.055 1.00 0.00 C ATOM 1517 OH TYR A 99 13.051 15.223 -18.679 1.00 0.00 O ATOM 0 H TYR A 99 10.303 22.042 -15.268 1.00 0.00 H new ATOM 0 HA TYR A 99 12.728 20.629 -15.237 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.560 19.531 -15.129 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.092 20.186 -16.685 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.625 17.935 -15.097 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.516 18.955 -18.656 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.541 15.946 -16.209 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.429 16.967 -19.769 1.00 0.00 H new ATOM 0 HH TYR A 99 12.714 15.178 -19.598 1.00 0.00 H new ATOM 1527 N ASN A 100 11.896 21.943 -18.150 1.00 0.00 N ATOM 1528 CA ASN A 100 12.414 22.300 -19.466 1.00 0.00 C ATOM 1529 C ASN A 100 13.710 23.096 -19.342 1.00 0.00 C ATOM 1530 O ASN A 100 14.708 22.781 -19.989 1.00 0.00 O ATOM 1531 CB ASN A 100 11.376 23.112 -20.243 1.00 0.00 C ATOM 1532 CG ASN A 100 11.510 24.603 -20.003 1.00 0.00 C ATOM 1533 OD1 ASN A 100 12.516 25.213 -20.366 1.00 0.00 O ATOM 1534 ND2 ASN A 100 10.494 25.197 -19.388 1.00 0.00 N ATOM 0 H ASN A 100 10.947 22.269 -17.968 1.00 0.00 H new ATOM 0 HA ASN A 100 12.624 21.378 -20.009 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.482 22.907 -21.308 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.376 22.789 -19.954 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.528 26.199 -19.199 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.680 24.652 -19.105 1.00 0.00 H new ATOM 1541 N GLY A 101 13.686 24.130 -18.506 1.00 0.00 N ATOM 1542 CA GLY A 101 14.864 24.954 -18.312 1.00 0.00 C ATOM 1543 C GLY A 101 16.098 24.136 -17.988 1.00 0.00 C ATOM 1544 O GLY A 101 17.176 24.383 -18.529 1.00 0.00 O ATOM 0 H GLY A 101 12.872 24.411 -17.960 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.046 25.539 -19.213 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.679 25.662 -17.504 1.00 0.00 H new ATOM 1548 N TYR A 102 15.942 23.160 -17.101 1.00 0.00 N ATOM 1549 CA TYR A 102 17.053 22.305 -16.701 1.00 0.00 C ATOM 1550 C TYR A 102 17.586 21.513 -17.891 1.00 0.00 C ATOM 1551 O TYR A 102 18.793 21.306 -18.024 1.00 0.00 O ATOM 1552 CB TYR A 102 16.614 21.346 -15.593 1.00 0.00 C ATOM 1553 CG TYR A 102 17.723 20.446 -15.096 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.969 20.965 -14.765 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.525 19.078 -14.959 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.985 20.146 -14.311 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.535 18.252 -14.505 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.763 18.791 -14.183 1.00 0.00 C ATOM 1559 OH TYR A 102 20.772 17.971 -13.731 1.00 0.00 O ATOM 0 H TYR A 102 15.056 22.941 -16.645 1.00 0.00 H new ATOM 0 HA TYR A 102 17.852 22.944 -16.324 1.00 0.00 H new ATOM 0 HB2 TYR A 102 16.225 21.925 -14.756 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.795 20.729 -15.962 1.00 0.00 H new ATOM 0 HD1 TYR A 102 19.146 22.026 -14.864 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.565 18.653 -15.212 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.948 20.565 -14.058 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.364 17.191 -14.403 1.00 0.00 H new ATOM 0 HH TYR A 102 20.659 17.074 -14.110 1.00 0.00 H new ATOM 1569 N VAL A 103 16.678 21.074 -18.756 1.00 0.00 N ATOM 1570 CA VAL A 103 17.055 20.306 -19.937 1.00 0.00 C ATOM 1571 C VAL A 103 18.095 21.051 -20.767 1.00 0.00 C ATOM 1572 O VAL A 103 19.102 20.475 -21.181 1.00 0.00 O ATOM 1573 CB VAL A 103 15.832 20.000 -20.822 1.00 0.00 C ATOM 1574 CG1 VAL A 103 16.253 19.243 -22.073 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.792 19.213 -20.038 1.00 0.00 C ATOM 0 H VAL A 103 15.676 21.237 -18.661 1.00 0.00 H new ATOM 0 HA VAL A 103 17.481 19.368 -19.582 1.00 0.00 H new ATOM 0 HB VAL A 103 15.384 20.944 -21.132 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.375 19.036 -22.686 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.959 19.847 -22.643 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.726 18.303 -21.788 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.934 19.005 -20.678 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.227 18.273 -19.698 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.468 19.796 -19.176 1.00 0.00 H new ATOM 1585 N ILE A 104 17.845 22.333 -21.007 1.00 0.00 N ATOM 1586 CA ILE A 104 18.760 23.157 -21.787 1.00 0.00 C ATOM 1587 C ILE A 104 20.073 23.374 -21.043 1.00 0.00 C ATOM 1588 O ILE A 104 21.155 23.209 -21.608 1.00 0.00 O ATOM 1589 CB ILE A 104 18.140 24.527 -22.121 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.915 24.350 -23.020 1.00 0.00 C ATOM 1591 CG2 ILE A 104 19.169 25.425 -22.789 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.933 25.498 -22.936 1.00 0.00 C ATOM 0 H ILE A 104 17.016 22.824 -20.672 1.00 0.00 H new ATOM 0 HA ILE A 104 18.955 22.620 -22.715 1.00 0.00 H new ATOM 0 HB ILE A 104 17.821 25.002 -21.193 1.00 0.00 H new ATOM 0 HG12 ILE A 104 17.245 24.240 -24.053 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.405 23.426 -22.748 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.716 26.389 -23.019 1.00 0.00 H new ATOM 0 HG22 ILE A 104 20.014 25.572 -22.117 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.516 24.958 -23.711 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.090 25.305 -23.599 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.574 25.595 -21.911 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.427 26.422 -23.237 1.00 0.00 H new ATOM 1604 N HIS A 105 19.972 23.743 -19.770 1.00 0.00 N ATOM 1605 CA HIS A 105 21.152 23.981 -18.946 1.00 0.00 C ATOM 1606 C HIS A 105 22.208 22.906 -19.188 1.00 0.00 C ATOM 1607 O HIS A 105 23.384 23.211 -19.393 1.00 0.00 O ATOM 1608 CB HIS A 105 20.769 24.013 -17.466 1.00 0.00 C ATOM 1609 CG HIS A 105 21.942 23.903 -16.542 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.455 24.976 -15.845 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.703 22.836 -16.199 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.481 24.576 -15.116 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.652 23.281 -15.312 1.00 0.00 N ATOM 0 H HIS A 105 19.085 23.884 -19.286 1.00 0.00 H new ATOM 0 HA HIS A 105 21.572 24.948 -19.225 1.00 0.00 H new ATOM 0 HB2 HIS A 105 20.238 24.941 -17.257 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.077 23.196 -17.260 1.00 0.00 H new ATOM 0 HD1 HIS A 105 22.098 25.930 -15.886 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.585 21.824 -16.557 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.079 25.201 -14.469 1.00 0.00 H new ATOM 1622 N LEU A 106 21.782 21.648 -19.160 1.00 0.00 N ATOM 1623 CA LEU A 106 22.691 20.528 -19.375 1.00 0.00 C ATOM 1624 C LEU A 106 23.285 20.570 -20.779 1.00 0.00 C ATOM 1625 O LEU A 106 24.405 20.111 -21.004 1.00 0.00 O ATOM 1626 CB LEU A 106 21.958 19.202 -19.159 1.00 0.00 C ATOM 1627 CG LEU A 106 21.870 18.712 -17.714 1.00 0.00 C ATOM 1628 CD1 LEU A 106 21.152 17.373 -17.647 1.00 0.00 C ATOM 1629 CD2 LEU A 106 23.259 18.605 -17.101 1.00 0.00 C ATOM 0 H LEU A 106 20.813 21.378 -18.991 1.00 0.00 H new ATOM 0 HA LEU A 106 23.504 20.609 -18.654 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.945 19.302 -19.550 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.455 18.434 -19.752 1.00 0.00 H new ATOM 0 HG LEU A 106 21.296 19.439 -17.139 1.00 0.00 H new ATOM 0 HD11 LEU A 106 21.099 17.040 -16.610 1.00 0.00 H new ATOM 0 HD12 LEU A 106 20.143 17.481 -18.046 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.699 16.637 -18.237 1.00 0.00 H new ATOM 0 HD21 LEU A 106 23.177 18.255 -16.072 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.858 17.900 -17.678 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.739 19.584 -17.114 1.00 0.00 H new