USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=18 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 49 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0294) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 153:sc= 1.16 (180deg=0.514) USER MOD Single : A 53 LYS NZ :NH3+ 141:sc= -6.33! (180deg=-10.1!) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0234 (180deg=-0.265) USER MOD Single : A 55 MET CE :methyl 133:sc= -9.05! (180deg=-11.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 167:sc= 0 (180deg=-0.0866) USER MOD Single : A 64 ASN : amide:sc= -0.621 K(o=-0.62,f=-3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc=-0.00824 USER MOD Single : A 71 LYS NZ :NH3+ -114:sc= 0.232 (180deg=-0.196) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= -0.183 (180deg=-0.777) 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= -0.0145 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.464 K(o=-0.46,f=-1.3) USER MOD Single : A 83 MET CE :methyl -170:sc= -2.93 (180deg=-3.39!) USER MOD Single : A 84 SER OG : rot -93:sc= 0.368 USER MOD Single : A 85 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.5!) USER MOD Single : A 95 TYR OH : rot 30:sc= -0.149 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 100 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.2!) USER MOD Single : A 102 TYR OH : rot 30:sc=-0.00264 USER MOD Single : A 105 HIS : no HE2:sc= -0.41 X(o=-0.41,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.631 12.321 1.249 1.00 0.00 N ATOM 664 CA LEU A 47 14.436 13.484 1.608 1.00 0.00 C ATOM 665 C LEU A 47 14.986 14.171 0.362 1.00 0.00 C ATOM 666 O LEU A 47 14.963 15.397 0.257 1.00 0.00 O ATOM 667 CB LEU A 47 15.588 13.068 2.524 1.00 0.00 C ATOM 668 CG LEU A 47 15.287 13.069 4.023 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.250 12.154 4.763 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.358 14.484 4.580 1.00 0.00 C ATOM 0 HA LEU A 47 13.795 14.189 2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.909 12.066 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.430 13.736 2.342 1.00 0.00 H new ATOM 0 HG LEU A 47 14.275 12.692 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.020 12.168 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.150 11.137 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.272 12.500 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.141 14.466 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.357 14.888 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.626 15.112 4.072 1.00 0.00 H new ATOM 682 N GLU A 48 15.477 13.372 -0.581 1.00 0.00 N ATOM 683 CA GLU A 48 16.031 13.905 -1.820 1.00 0.00 C ATOM 684 C GLU A 48 14.971 14.674 -2.603 1.00 0.00 C ATOM 685 O GLU A 48 15.199 15.805 -3.033 1.00 0.00 O ATOM 686 CB GLU A 48 16.595 12.772 -2.681 1.00 0.00 C ATOM 687 CG GLU A 48 17.668 13.226 -3.656 1.00 0.00 C ATOM 688 CD GLU A 48 19.044 13.288 -3.023 1.00 0.00 C ATOM 689 OE1 GLU A 48 19.248 14.133 -2.127 1.00 0.00 O ATOM 690 OE2 GLU A 48 19.918 12.490 -3.423 1.00 0.00 O ATOM 0 H GLU A 48 15.502 12.355 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 48 16.837 14.592 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.010 12.003 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.780 12.311 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.694 12.544 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.407 14.210 -4.045 1.00 0.00 H new ATOM 697 N LYS A 49 13.812 14.052 -2.785 1.00 0.00 N ATOM 698 CA LYS A 49 12.715 14.677 -3.516 1.00 0.00 C ATOM 699 C LYS A 49 12.268 15.964 -2.831 1.00 0.00 C ATOM 700 O LYS A 49 11.993 16.966 -3.491 1.00 0.00 O ATOM 701 CB LYS A 49 11.534 13.710 -3.627 1.00 0.00 C ATOM 702 CG LYS A 49 10.616 14.003 -4.802 1.00 0.00 C ATOM 703 CD LYS A 49 9.338 13.186 -4.729 1.00 0.00 C ATOM 704 CE LYS A 49 8.641 13.118 -6.079 1.00 0.00 C ATOM 705 NZ LYS A 49 7.586 12.068 -6.107 1.00 0.00 N ATOM 0 H LYS A 49 13.607 13.115 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 49 13.072 14.923 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.915 12.693 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.954 13.750 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.370 15.065 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.136 13.784 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.569 12.177 -4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.665 13.626 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.195 14.086 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.376 12.915 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.045 12.143 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.029 11.129 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.946 12.198 -5.298 1.00 0.00 H new ATOM 719 N ALA A 50 12.200 15.931 -1.504 1.00 0.00 N ATOM 720 CA ALA A 50 11.791 17.096 -0.731 1.00 0.00 C ATOM 721 C ALA A 50 12.617 18.322 -1.106 1.00 0.00 C ATOM 722 O ALA A 50 12.070 19.365 -1.463 1.00 0.00 O ATOM 723 CB ALA A 50 11.913 16.811 0.759 1.00 0.00 C ATOM 0 H ALA A 50 12.423 15.109 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 50 10.748 17.308 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.604 17.690 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.274 15.968 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.948 16.570 1.000 1.00 0.00 H new ATOM 729 N ALA A 51 13.936 18.189 -1.023 1.00 0.00 N ATOM 730 CA ALA A 51 14.837 19.285 -1.355 1.00 0.00 C ATOM 731 C ALA A 51 14.558 19.820 -2.755 1.00 0.00 C ATOM 732 O ALA A 51 14.376 21.023 -2.947 1.00 0.00 O ATOM 733 CB ALA A 51 16.285 18.832 -1.240 1.00 0.00 C ATOM 0 H ALA A 51 14.405 17.332 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 51 14.663 20.093 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.947 19.661 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.484 18.505 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.463 18.005 -1.927 1.00 0.00 H new ATOM 739 N VAL A 52 14.526 18.919 -3.732 1.00 0.00 N ATOM 740 CA VAL A 52 14.268 19.301 -5.116 1.00 0.00 C ATOM 741 C VAL A 52 12.946 20.048 -5.243 1.00 0.00 C ATOM 742 O VAL A 52 12.900 21.169 -5.750 1.00 0.00 O ATOM 743 CB VAL A 52 14.241 18.070 -6.041 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.070 18.496 -7.492 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.505 17.242 -5.865 1.00 0.00 C ATOM 0 H VAL A 52 14.675 17.920 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 52 15.083 19.958 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 52 13.388 17.450 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.053 17.613 -8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.133 19.042 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.901 19.139 -7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.468 16.376 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.375 17.850 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.578 16.905 -4.831 1.00 0.00 H new ATOM 755 N LYS A 53 11.871 19.421 -4.779 1.00 0.00 N ATOM 756 CA LYS A 53 10.546 20.026 -4.838 1.00 0.00 C ATOM 757 C LYS A 53 10.533 21.377 -4.130 1.00 0.00 C ATOM 758 O LYS A 53 9.798 22.286 -4.517 1.00 0.00 O ATOM 759 CB LYS A 53 9.509 19.096 -4.203 1.00 0.00 C ATOM 760 CG LYS A 53 8.973 18.042 -5.157 1.00 0.00 C ATOM 761 CD LYS A 53 7.733 18.530 -5.887 1.00 0.00 C ATOM 762 CE LYS A 53 8.084 19.539 -6.969 1.00 0.00 C ATOM 763 NZ LYS A 53 9.161 19.038 -7.867 1.00 0.00 N ATOM 0 H LYS A 53 11.891 18.493 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 53 10.292 20.182 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.957 18.600 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.677 19.694 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.744 17.780 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.736 17.134 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.215 17.681 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.045 18.984 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.195 19.763 -7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.403 20.472 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.955 19.319 -8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.073 19.443 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.208 18.001 -7.807 1.00 0.00 H new ATOM 777 N LYS A 54 11.351 21.503 -3.091 1.00 0.00 N ATOM 778 CA LYS A 54 11.437 22.744 -2.330 1.00 0.00 C ATOM 779 C LYS A 54 11.968 23.880 -3.199 1.00 0.00 C ATOM 780 O LYS A 54 11.370 24.953 -3.268 1.00 0.00 O ATOM 781 CB LYS A 54 12.340 22.557 -1.108 1.00 0.00 C ATOM 782 CG LYS A 54 11.596 22.095 0.133 1.00 0.00 C ATOM 783 CD LYS A 54 10.698 23.189 0.684 1.00 0.00 C ATOM 784 CE LYS A 54 10.216 22.860 2.089 1.00 0.00 C ATOM 785 NZ LYS A 54 11.325 22.911 3.081 1.00 0.00 N ATOM 0 H LYS A 54 11.965 20.760 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 54 10.433 23.005 -1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.116 21.830 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.843 23.499 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.996 21.217 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.313 21.792 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.240 24.134 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.840 23.322 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.436 23.564 2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.768 21.866 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.930 22.986 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.896 22.044 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.925 23.738 2.888 1.00 0.00 H new ATOM 799 N MET A 55 13.094 23.635 -3.860 1.00 0.00 N ATOM 800 CA MET A 55 13.704 24.637 -4.727 1.00 0.00 C ATOM 801 C MET A 55 12.813 24.930 -5.930 1.00 0.00 C ATOM 802 O MET A 55 12.672 26.080 -6.343 1.00 0.00 O ATOM 803 CB MET A 55 15.080 24.164 -5.200 1.00 0.00 C ATOM 804 CG MET A 55 15.962 23.641 -4.077 1.00 0.00 C ATOM 805 SD MET A 55 17.718 23.901 -4.395 1.00 0.00 S ATOM 806 CE MET A 55 17.918 23.012 -5.937 1.00 0.00 C ATOM 0 H MET A 55 13.603 22.752 -3.812 1.00 0.00 H new ATOM 0 HA MET A 55 13.822 25.555 -4.152 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.949 23.378 -5.944 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.589 24.991 -5.696 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.688 24.135 -3.145 1.00 0.00 H new ATOM 0 HG3 MET A 55 15.775 22.576 -3.940 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.476 23.628 -6.642 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.462 22.085 -5.755 1.00 0.00 H new ATOM 0 HE3 MET A 55 16.938 22.782 -6.354 1.00 0.00 H new ATOM 816 N ALA A 56 12.215 23.882 -6.487 1.00 0.00 N ATOM 817 CA ALA A 56 11.337 24.028 -7.641 1.00 0.00 C ATOM 818 C ALA A 56 10.227 25.036 -7.362 1.00 0.00 C ATOM 819 O ALA A 56 10.010 25.967 -8.138 1.00 0.00 O ATOM 820 CB ALA A 56 10.745 22.681 -8.028 1.00 0.00 C ATOM 0 H ALA A 56 12.323 22.923 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 56 11.932 24.403 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.091 22.805 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.549 21.989 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.170 22.283 -7.192 1.00 0.00 H new ATOM 826 N LYS A 57 9.526 24.844 -6.250 1.00 0.00 N ATOM 827 CA LYS A 57 8.437 25.736 -5.868 1.00 0.00 C ATOM 828 C LYS A 57 8.869 27.195 -5.970 1.00 0.00 C ATOM 829 O LYS A 57 8.194 28.009 -6.600 1.00 0.00 O ATOM 830 CB LYS A 57 7.976 25.428 -4.442 1.00 0.00 C ATOM 831 CG LYS A 57 7.358 24.049 -4.287 1.00 0.00 C ATOM 832 CD LYS A 57 7.544 23.510 -2.878 1.00 0.00 C ATOM 833 CE LYS A 57 6.392 23.915 -1.970 1.00 0.00 C ATOM 834 NZ LYS A 57 6.250 22.991 -0.811 1.00 0.00 N ATOM 0 H LYS A 57 9.692 24.078 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 57 7.607 25.572 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.828 25.513 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.249 26.179 -4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.295 24.097 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.812 23.363 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.619 22.423 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.482 23.882 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.554 24.930 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.464 23.925 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.455 23.300 -0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.070 22.027 -1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.126 23.000 -0.250 1.00 0.00 H new ATOM 848 N ALA A 58 9.998 27.519 -5.347 1.00 0.00 N ATOM 849 CA ALA A 58 10.520 28.879 -5.371 1.00 0.00 C ATOM 850 C ALA A 58 10.561 29.427 -6.794 1.00 0.00 C ATOM 851 O ALA A 58 10.208 30.581 -7.035 1.00 0.00 O ATOM 852 CB ALA A 58 11.907 28.923 -4.747 1.00 0.00 C ATOM 0 H ALA A 58 10.568 26.858 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 58 9.850 29.509 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.285 29.945 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.852 28.581 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.579 28.274 -5.308 1.00 0.00 H new ATOM 858 N ILE A 59 10.995 28.591 -7.732 1.00 0.00 N ATOM 859 CA ILE A 59 11.081 28.992 -9.131 1.00 0.00 C ATOM 860 C ILE A 59 9.715 29.400 -9.671 1.00 0.00 C ATOM 861 O ILE A 59 9.555 30.488 -10.224 1.00 0.00 O ATOM 862 CB ILE A 59 11.650 27.860 -10.007 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.094 27.553 -9.607 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.570 28.238 -11.478 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.616 26.253 -10.179 1.00 0.00 C ATOM 0 H ILE A 59 11.292 27.633 -7.548 1.00 0.00 H new ATOM 0 HA ILE A 59 11.756 29.847 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 59 11.051 26.963 -9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.736 28.370 -9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.161 27.515 -8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.976 27.428 -12.084 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.530 28.411 -11.753 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.147 29.146 -11.652 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.645 26.100 -9.854 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.998 25.427 -9.828 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.581 26.295 -11.268 1.00 0.00 H new ATOM 877 N MET A 60 8.732 28.521 -9.505 1.00 0.00 N ATOM 878 CA MET A 60 7.378 28.792 -9.974 1.00 0.00 C ATOM 879 C MET A 60 6.966 30.224 -9.646 1.00 0.00 C ATOM 880 O MET A 60 6.339 30.900 -10.461 1.00 0.00 O ATOM 881 CB MET A 60 6.391 27.808 -9.343 1.00 0.00 C ATOM 882 CG MET A 60 6.697 26.353 -9.660 1.00 0.00 C ATOM 883 SD MET A 60 5.964 25.812 -11.216 1.00 0.00 S ATOM 884 CE MET A 60 4.585 24.837 -10.620 1.00 0.00 C ATOM 0 H MET A 60 8.848 27.616 -9.050 1.00 0.00 H new ATOM 0 HA MET A 60 7.363 28.667 -11.057 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.396 27.944 -8.262 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.385 28.043 -9.690 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.777 26.214 -9.704 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.328 25.723 -8.851 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.905 24.626 -11.445 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.955 23.899 -10.206 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.055 25.392 -9.846 1.00 0.00 H new ATOM 894 N ALA A 61 7.321 30.678 -8.449 1.00 0.00 N ATOM 895 CA ALA A 61 6.989 32.030 -8.016 1.00 0.00 C ATOM 896 C ALA A 61 7.924 33.055 -8.651 1.00 0.00 C ATOM 897 O ALA A 61 7.478 33.967 -9.347 1.00 0.00 O ATOM 898 CB ALA A 61 7.049 32.127 -6.499 1.00 0.00 C ATOM 0 H ALA A 61 7.838 30.130 -7.762 1.00 0.00 H new ATOM 0 HA ALA A 61 5.973 32.251 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.799 33.142 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.336 31.428 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.055 31.881 -6.158 1.00 0.00 H new ATOM 904 N ASP A 62 9.220 32.899 -8.405 1.00 0.00 N ATOM 905 CA ASP A 62 10.217 33.811 -8.953 1.00 0.00 C ATOM 906 C ASP A 62 11.136 33.087 -9.932 1.00 0.00 C ATOM 907 O ASP A 62 11.759 32.076 -9.606 1.00 0.00 O ATOM 908 CB ASP A 62 11.042 34.435 -7.827 1.00 0.00 C ATOM 909 CG ASP A 62 10.254 35.454 -7.028 1.00 0.00 C ATOM 910 OD1 ASP A 62 9.168 35.101 -6.522 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.724 36.604 -6.907 1.00 0.00 O ATOM 0 H ASP A 62 9.605 32.150 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 62 9.693 34.602 -9.491 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.394 33.648 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.925 34.914 -8.250 1.00 0.00 H new ATOM 916 N PRO A 63 11.222 33.613 -11.163 1.00 0.00 N ATOM 917 CA PRO A 63 12.061 33.032 -12.215 1.00 0.00 C ATOM 918 C PRO A 63 13.549 33.205 -11.931 1.00 0.00 C ATOM 919 O PRO A 63 14.378 32.443 -12.427 1.00 0.00 O ATOM 920 CB PRO A 63 11.660 33.821 -13.464 1.00 0.00 C ATOM 921 CG PRO A 63 11.154 35.122 -12.944 1.00 0.00 C ATOM 922 CD PRO A 63 10.507 34.816 -11.622 1.00 0.00 C ATOM 0 HA PRO A 63 11.912 31.956 -12.307 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.510 33.965 -14.131 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.893 33.297 -14.034 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.968 35.837 -12.824 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.438 35.567 -13.635 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.618 35.642 -10.919 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.438 34.631 -11.731 1.00 0.00 H new ATOM 930 N ASN A 64 13.881 34.212 -11.129 1.00 0.00 N ATOM 931 CA ASN A 64 15.270 34.484 -10.779 1.00 0.00 C ATOM 932 C ASN A 64 15.934 33.246 -10.185 1.00 0.00 C ATOM 933 O ASN A 64 17.011 32.835 -10.620 1.00 0.00 O ATOM 934 CB ASN A 64 15.350 35.645 -9.785 1.00 0.00 C ATOM 935 CG ASN A 64 14.307 36.712 -10.059 1.00 0.00 C ATOM 936 OD1 ASN A 64 13.784 36.815 -11.169 1.00 0.00 O ATOM 937 ND2 ASN A 64 14.001 37.514 -9.046 1.00 0.00 N ATOM 0 H ASN A 64 13.207 34.853 -10.710 1.00 0.00 H new ATOM 0 HA ASN A 64 15.801 34.758 -11.691 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.218 35.263 -8.773 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.343 36.091 -9.831 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.308 38.251 -9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.459 37.393 -8.143 1.00 0.00 H new ATOM 944 N LYS A 65 15.285 32.654 -9.188 1.00 0.00 N ATOM 945 CA LYS A 65 15.810 31.461 -8.534 1.00 0.00 C ATOM 946 C LYS A 65 16.182 30.396 -9.562 1.00 0.00 C ATOM 947 O LYS A 65 17.212 29.734 -9.438 1.00 0.00 O ATOM 948 CB LYS A 65 14.781 30.898 -7.552 1.00 0.00 C ATOM 949 CG LYS A 65 14.729 31.646 -6.231 1.00 0.00 C ATOM 950 CD LYS A 65 15.770 31.126 -5.254 1.00 0.00 C ATOM 951 CE LYS A 65 17.133 31.750 -5.508 1.00 0.00 C ATOM 952 NZ LYS A 65 17.948 31.830 -4.264 1.00 0.00 N ATOM 0 H LYS A 65 14.394 32.981 -8.815 1.00 0.00 H new ATOM 0 HA LYS A 65 16.709 31.743 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.795 30.927 -8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.011 29.850 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.893 32.709 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.736 31.545 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.454 31.343 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.843 30.042 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.667 31.163 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.003 32.750 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.869 32.261 -4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.450 32.411 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.094 30.874 -3.883 1.00 0.00 H new ATOM 966 N ALA A 66 15.339 30.239 -10.577 1.00 0.00 N ATOM 967 CA ALA A 66 15.581 29.258 -11.627 1.00 0.00 C ATOM 968 C ALA A 66 17.068 29.162 -11.955 1.00 0.00 C ATOM 969 O ALA A 66 17.691 28.119 -11.755 1.00 0.00 O ATOM 970 CB ALA A 66 14.786 29.612 -12.874 1.00 0.00 C ATOM 0 H ALA A 66 14.482 30.779 -10.694 1.00 0.00 H new ATOM 0 HA ALA A 66 15.251 28.285 -11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.977 28.870 -13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.722 29.623 -12.636 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.088 30.597 -13.231 1.00 0.00 H new ATOM 976 N ASP A 67 17.629 30.254 -12.461 1.00 0.00 N ATOM 977 CA ASP A 67 19.043 30.293 -12.816 1.00 0.00 C ATOM 978 C ASP A 67 19.886 29.566 -11.773 1.00 0.00 C ATOM 979 O ASP A 67 20.599 28.615 -12.091 1.00 0.00 O ATOM 980 CB ASP A 67 19.517 31.740 -12.954 1.00 0.00 C ATOM 981 CG ASP A 67 18.784 32.488 -14.051 1.00 0.00 C ATOM 982 OD1 ASP A 67 19.039 32.198 -15.239 1.00 0.00 O ATOM 983 OD2 ASP A 67 17.955 33.361 -13.722 1.00 0.00 O ATOM 0 H ASP A 67 17.126 31.124 -12.635 1.00 0.00 H new ATOM 0 HA ASP A 67 19.165 29.786 -13.773 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.373 32.258 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.587 31.750 -13.163 1.00 0.00 H new ATOM 988 N GLU A 68 19.798 30.021 -10.527 1.00 0.00 N ATOM 989 CA GLU A 68 20.555 29.414 -9.438 1.00 0.00 C ATOM 990 C GLU A 68 20.206 27.936 -9.291 1.00 0.00 C ATOM 991 O GLU A 68 21.066 27.066 -9.431 1.00 0.00 O ATOM 992 CB GLU A 68 20.278 30.148 -8.124 1.00 0.00 C ATOM 993 CG GLU A 68 21.203 29.737 -6.991 1.00 0.00 C ATOM 994 CD GLU A 68 22.648 30.119 -7.250 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.888 31.249 -7.724 1.00 0.00 O ATOM 996 OE2 GLU A 68 23.538 29.287 -6.978 1.00 0.00 O ATOM 0 H GLU A 68 19.211 30.807 -10.247 1.00 0.00 H new ATOM 0 HA GLU A 68 21.615 29.497 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.375 31.221 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.246 29.963 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.868 30.205 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.137 28.659 -6.846 1.00 0.00 H new ATOM 1003 N VAL A 69 18.937 27.659 -9.007 1.00 0.00 N ATOM 1004 CA VAL A 69 18.473 26.286 -8.841 1.00 0.00 C ATOM 1005 C VAL A 69 19.078 25.370 -9.899 1.00 0.00 C ATOM 1006 O VAL A 69 19.806 24.431 -9.579 1.00 0.00 O ATOM 1007 CB VAL A 69 16.937 26.200 -8.919 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.487 24.748 -8.981 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.303 26.913 -7.735 1.00 0.00 C ATOM 0 H VAL A 69 18.212 28.367 -8.887 1.00 0.00 H new ATOM 0 HA VAL A 69 18.798 25.959 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 69 16.608 26.697 -9.831 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.399 24.706 -9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 69 16.913 24.272 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 69 16.826 24.224 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.218 26.842 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.637 26.447 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.599 27.962 -7.741 1.00 0.00 H new ATOM 1019 N TYR A 70 18.771 25.650 -11.160 1.00 0.00 N ATOM 1020 CA TYR A 70 19.282 24.849 -12.267 1.00 0.00 C ATOM 1021 C TYR A 70 20.703 24.373 -11.984 1.00 0.00 C ATOM 1022 O TYR A 70 20.986 23.175 -12.009 1.00 0.00 O ATOM 1023 CB TYR A 70 19.252 25.658 -13.565 1.00 0.00 C ATOM 1024 CG TYR A 70 17.856 26.000 -14.033 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.831 25.064 -13.968 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.562 27.259 -14.542 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.554 25.373 -14.395 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.287 27.577 -14.970 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.287 26.630 -14.895 1.00 0.00 C ATOM 1030 OH TYR A 70 14.016 26.942 -15.322 1.00 0.00 O ATOM 0 H TYR A 70 18.171 26.425 -11.442 1.00 0.00 H new ATOM 0 HA TYR A 70 18.640 23.975 -12.376 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.814 26.581 -13.421 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.760 25.094 -14.347 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.036 24.078 -13.577 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.343 28.002 -14.604 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.769 24.634 -14.337 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.075 28.561 -15.361 1.00 0.00 H new ATOM 0 HH TYR A 70 13.997 27.867 -15.644 1.00 0.00 H new ATOM 1040 N LYS A 71 21.594 25.320 -11.713 1.00 0.00 N ATOM 1041 CA LYS A 71 22.987 25.001 -11.422 1.00 0.00 C ATOM 1042 C LYS A 71 23.090 24.038 -10.243 1.00 0.00 C ATOM 1043 O LYS A 71 23.745 23.000 -10.332 1.00 0.00 O ATOM 1044 CB LYS A 71 23.773 26.279 -11.120 1.00 0.00 C ATOM 1045 CG LYS A 71 24.344 26.948 -12.358 1.00 0.00 C ATOM 1046 CD LYS A 71 24.719 28.396 -12.087 1.00 0.00 C ATOM 1047 CE LYS A 71 23.502 29.306 -12.140 1.00 0.00 C ATOM 1048 NZ LYS A 71 22.999 29.479 -13.531 1.00 0.00 N ATOM 0 H LYS A 71 21.376 26.316 -11.689 1.00 0.00 H new ATOM 0 HA LYS A 71 23.414 24.519 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.120 26.984 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.588 26.041 -10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.224 26.400 -12.695 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.613 26.906 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 71 25.190 28.474 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 71 25.454 28.726 -12.821 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.710 28.890 -11.517 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.758 30.280 -11.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.128 30.468 -13.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.529 28.855 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.989 29.235 -13.568 1.00 0.00 H new ATOM 1062 N LYS A 72 22.437 24.389 -9.140 1.00 0.00 N ATOM 1063 CA LYS A 72 22.452 23.555 -7.944 1.00 0.00 C ATOM 1064 C LYS A 72 22.126 22.105 -8.288 1.00 0.00 C ATOM 1065 O LYS A 72 22.930 21.205 -8.045 1.00 0.00 O ATOM 1066 CB LYS A 72 21.450 24.085 -6.916 1.00 0.00 C ATOM 1067 CG LYS A 72 21.892 25.372 -6.243 1.00 0.00 C ATOM 1068 CD LYS A 72 20.911 25.803 -5.165 1.00 0.00 C ATOM 1069 CE LYS A 72 21.597 26.627 -4.085 1.00 0.00 C ATOM 1070 NZ LYS A 72 22.642 25.845 -3.370 1.00 0.00 N ATOM 0 H LYS A 72 21.891 25.246 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 72 23.454 23.592 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.492 24.253 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.288 23.323 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.880 25.233 -5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.984 26.161 -6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.108 26.387 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.452 24.922 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.049 27.511 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.854 26.979 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.736 26.200 -2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.370 24.841 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.551 25.947 -3.865 1.00 0.00 H new ATOM 1084 N TRP A 73 20.945 21.887 -8.853 1.00 0.00 N ATOM 1085 CA TRP A 73 20.514 20.546 -9.231 1.00 0.00 C ATOM 1086 C TRP A 73 21.573 19.853 -10.081 1.00 0.00 C ATOM 1087 O TRP A 73 21.854 18.670 -9.896 1.00 0.00 O ATOM 1088 CB TRP A 73 19.191 20.609 -9.996 1.00 0.00 C ATOM 1089 CG TRP A 73 18.013 20.914 -9.120 1.00 0.00 C ATOM 1090 CD1 TRP A 73 17.890 20.640 -7.788 1.00 0.00 C ATOM 1091 CD2 TRP A 73 16.792 21.549 -9.516 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.666 21.067 -7.332 1.00 0.00 N ATOM 1093 CE2 TRP A 73 15.974 21.629 -8.372 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.312 22.060 -10.725 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.704 22.197 -8.404 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.051 22.624 -10.755 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.258 22.690 -9.601 1.00 0.00 C ATOM 0 H TRP A 73 20.268 22.621 -9.060 1.00 0.00 H new ATOM 0 HA TRP A 73 20.371 19.968 -8.318 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.264 21.370 -10.773 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.024 19.656 -10.499 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.643 20.159 -7.182 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.327 20.980 -6.374 1.00 0.00 H new ATOM 0 HE3 TRP A 73 16.916 22.015 -11.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.092 22.247 -7.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 14.670 23.021 -11.684 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.277 23.138 -9.657 1.00 0.00 H new ATOM 1108 N ALA A 74 22.159 20.599 -11.013 1.00 0.00 N ATOM 1109 CA ALA A 74 23.189 20.056 -11.890 1.00 0.00 C ATOM 1110 C ALA A 74 24.397 19.581 -11.089 1.00 0.00 C ATOM 1111 O ALA A 74 25.039 18.592 -11.444 1.00 0.00 O ATOM 1112 CB ALA A 74 23.610 21.097 -12.917 1.00 0.00 C ATOM 0 H ALA A 74 21.938 21.581 -11.180 1.00 0.00 H new ATOM 0 HA ALA A 74 22.771 19.195 -12.412 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.380 20.678 -13.565 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.747 21.385 -13.517 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.005 21.974 -12.405 1.00 0.00 H new ATOM 1118 N ASP A 75 24.701 20.292 -10.008 1.00 0.00 N ATOM 1119 CA ASP A 75 25.832 19.942 -9.157 1.00 0.00 C ATOM 1120 C ASP A 75 25.536 18.682 -8.350 1.00 0.00 C ATOM 1121 O ASP A 75 26.303 17.720 -8.377 1.00 0.00 O ATOM 1122 CB ASP A 75 26.164 21.100 -8.214 1.00 0.00 C ATOM 1123 CG ASP A 75 27.480 20.896 -7.488 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.539 21.155 -8.096 1.00 0.00 O ATOM 1125 OD2 ASP A 75 27.449 20.477 -6.313 1.00 0.00 O ATOM 0 H ASP A 75 24.180 21.113 -9.701 1.00 0.00 H new ATOM 0 HA ASP A 75 26.691 19.747 -9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.207 22.028 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.363 21.211 -7.483 1.00 0.00 H new ATOM 1130 N LYS A 76 24.417 18.694 -7.633 1.00 0.00 N ATOM 1131 CA LYS A 76 24.018 17.552 -6.818 1.00 0.00 C ATOM 1132 C LYS A 76 24.293 16.241 -7.546 1.00 0.00 C ATOM 1133 O LYS A 76 24.727 15.262 -6.940 1.00 0.00 O ATOM 1134 CB LYS A 76 22.533 17.648 -6.461 1.00 0.00 C ATOM 1135 CG LYS A 76 22.258 18.473 -5.216 1.00 0.00 C ATOM 1136 CD LYS A 76 22.459 19.957 -5.475 1.00 0.00 C ATOM 1137 CE LYS A 76 22.064 20.792 -4.266 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.083 20.717 -3.183 1.00 0.00 N ATOM 0 H LYS A 76 23.770 19.482 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 76 24.608 17.568 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.993 18.084 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.137 16.643 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.236 18.296 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 76 22.919 18.150 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.503 20.146 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 76 21.866 20.261 -6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.932 21.831 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.103 20.447 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.777 21.299 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 23.191 19.729 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.994 21.070 -3.539 1.00 0.00 H new ATOM 1152 N GLY A 77 24.040 16.229 -8.851 1.00 0.00 N ATOM 1153 CA GLY A 77 24.268 15.033 -9.641 1.00 0.00 C ATOM 1154 C GLY A 77 22.976 14.391 -10.106 1.00 0.00 C ATOM 1155 O GLY A 77 22.760 13.196 -9.901 1.00 0.00 O ATOM 0 H GLY A 77 23.681 17.027 -9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.878 15.285 -10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.836 14.314 -9.050 1.00 0.00 H new ATOM 1159 N TYR A 78 22.114 15.184 -10.731 1.00 0.00 N ATOM 1160 CA TYR A 78 20.835 14.687 -11.222 1.00 0.00 C ATOM 1161 C TYR A 78 20.809 14.662 -12.747 1.00 0.00 C ATOM 1162 O TYR A 78 21.776 15.050 -13.404 1.00 0.00 O ATOM 1163 CB TYR A 78 19.690 15.554 -10.696 1.00 0.00 C ATOM 1164 CG TYR A 78 19.625 15.621 -9.187 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.738 14.471 -8.416 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.451 16.834 -8.532 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.679 14.527 -7.036 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.393 16.900 -7.154 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.507 15.744 -6.410 1.00 0.00 C ATOM 1170 OH TYR A 78 19.447 15.805 -5.037 1.00 0.00 O ATOM 0 H TYR A 78 22.278 16.175 -10.910 1.00 0.00 H new ATOM 0 HA TYR A 78 20.707 13.668 -10.857 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.799 16.564 -11.092 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.746 15.163 -11.075 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.874 13.517 -8.903 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.360 17.741 -9.111 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.767 13.623 -6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.259 17.852 -6.661 1.00 0.00 H new ATOM 0 HH TYR A 78 19.324 16.736 -4.756 1.00 0.00 H new ATOM 1180 N THR A 79 19.694 14.202 -13.307 1.00 0.00 N ATOM 1181 CA THR A 79 19.540 14.125 -14.754 1.00 0.00 C ATOM 1182 C THR A 79 18.073 13.987 -15.145 1.00 0.00 C ATOM 1183 O THR A 79 17.242 13.569 -14.337 1.00 0.00 O ATOM 1184 CB THR A 79 20.330 12.940 -15.341 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.324 13.007 -16.771 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.734 11.616 -14.888 1.00 0.00 C ATOM 0 H THR A 79 18.884 13.877 -12.779 1.00 0.00 H new ATOM 0 HA THR A 79 19.936 15.054 -15.163 1.00 0.00 H new ATOM 0 HB THR A 79 21.357 13.001 -14.980 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.830 12.251 -17.136 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.308 10.794 -15.315 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.767 11.555 -13.800 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.699 11.549 -15.224 1.00 0.00 H new ATOM 1194 N LEU A 80 17.761 14.339 -16.387 1.00 0.00 N ATOM 1195 CA LEU A 80 16.392 14.252 -16.885 1.00 0.00 C ATOM 1196 C LEU A 80 15.665 13.058 -16.276 1.00 0.00 C ATOM 1197 O LEU A 80 14.518 13.171 -15.842 1.00 0.00 O ATOM 1198 CB LEU A 80 16.391 14.141 -18.411 1.00 0.00 C ATOM 1199 CG LEU A 80 17.213 15.189 -19.162 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.213 14.898 -20.654 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.674 16.585 -18.888 1.00 0.00 C ATOM 0 H LEU A 80 18.436 14.687 -17.068 1.00 0.00 H new ATOM 0 HA LEU A 80 15.866 15.161 -16.592 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.763 13.153 -18.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.360 14.200 -18.759 1.00 0.00 H new ATOM 0 HG LEU A 80 18.242 15.142 -18.804 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.803 15.654 -21.172 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.647 13.914 -20.833 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.189 14.917 -21.028 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.271 17.318 -19.430 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.637 16.646 -19.218 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.728 16.792 -17.819 1.00 0.00 H new ATOM 1213 N THR A 81 16.340 11.914 -16.244 1.00 0.00 N ATOM 1214 CA THR A 81 15.759 10.699 -15.686 1.00 0.00 C ATOM 1215 C THR A 81 15.379 10.892 -14.223 1.00 0.00 C ATOM 1216 O THR A 81 14.259 10.582 -13.818 1.00 0.00 O ATOM 1217 CB THR A 81 16.731 9.508 -15.799 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.219 9.400 -17.141 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.046 8.211 -15.397 1.00 0.00 C ATOM 0 H THR A 81 17.290 11.803 -16.598 1.00 0.00 H new ATOM 0 HA THR A 81 14.862 10.483 -16.266 1.00 0.00 H new ATOM 0 HB THR A 81 17.567 9.684 -15.122 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.837 8.642 -17.204 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.751 7.385 -15.485 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.701 8.286 -14.366 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.194 8.032 -16.052 1.00 0.00 H new ATOM 1227 N GLN A 82 16.317 11.408 -13.436 1.00 0.00 N ATOM 1228 CA GLN A 82 16.079 11.643 -12.016 1.00 0.00 C ATOM 1229 C GLN A 82 15.255 12.909 -11.805 1.00 0.00 C ATOM 1230 O GLN A 82 14.154 12.860 -11.259 1.00 0.00 O ATOM 1231 CB GLN A 82 17.407 11.753 -11.266 1.00 0.00 C ATOM 1232 CG GLN A 82 18.130 10.425 -11.110 1.00 0.00 C ATOM 1233 CD GLN A 82 19.469 10.568 -10.414 1.00 0.00 C ATOM 1234 OE1 GLN A 82 20.318 11.356 -10.832 1.00 0.00 O ATOM 1235 NE2 GLN A 82 19.666 9.804 -9.346 1.00 0.00 N ATOM 0 H GLN A 82 17.249 11.671 -13.757 1.00 0.00 H new ATOM 0 HA GLN A 82 15.517 10.796 -11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.056 12.451 -11.795 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.223 12.175 -10.278 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.502 9.738 -10.543 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.282 9.980 -12.094 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.935 9.165 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.548 9.856 -8.837 1.00 0.00 H new ATOM 1244 N MET A 83 15.797 14.041 -12.241 1.00 0.00 N ATOM 1245 CA MET A 83 15.111 15.320 -12.100 1.00 0.00 C ATOM 1246 C MET A 83 13.603 15.149 -12.257 1.00 0.00 C ATOM 1247 O MET A 83 12.832 15.518 -11.372 1.00 0.00 O ATOM 1248 CB MET A 83 15.633 16.320 -13.134 1.00 0.00 C ATOM 1249 CG MET A 83 14.988 17.692 -13.032 1.00 0.00 C ATOM 1250 SD MET A 83 15.118 18.400 -11.378 1.00 0.00 S ATOM 1251 CE MET A 83 16.895 18.410 -11.154 1.00 0.00 C ATOM 0 H MET A 83 16.709 14.099 -12.695 1.00 0.00 H new ATOM 0 HA MET A 83 15.313 15.704 -11.100 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.711 16.425 -13.014 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.461 15.920 -14.133 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.459 18.365 -13.749 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.936 17.616 -13.309 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.130 18.652 -10.117 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.298 17.427 -11.398 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.340 19.158 -11.810 1.00 0.00 H new ATOM 1261 N SER A 84 13.191 14.587 -13.389 1.00 0.00 N ATOM 1262 CA SER A 84 11.775 14.371 -13.663 1.00 0.00 C ATOM 1263 C SER A 84 11.114 13.595 -12.528 1.00 0.00 C ATOM 1264 O SER A 84 10.095 14.019 -11.983 1.00 0.00 O ATOM 1265 CB SER A 84 11.599 13.615 -14.982 1.00 0.00 C ATOM 1266 OG SER A 84 12.050 12.277 -14.867 1.00 0.00 O ATOM 0 H SER A 84 13.817 14.273 -14.131 1.00 0.00 H new ATOM 0 HA SER A 84 11.293 15.345 -13.743 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.549 13.624 -15.273 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.153 14.122 -15.772 1.00 0.00 H new ATOM 0 HG SER A 84 12.988 12.223 -15.145 1.00 0.00 H new ATOM 1272 N ASN A 85 11.702 12.457 -12.176 1.00 0.00 N ATOM 1273 CA ASN A 85 11.171 11.620 -11.106 1.00 0.00 C ATOM 1274 C ASN A 85 10.929 12.442 -9.843 1.00 0.00 C ATOM 1275 O ASN A 85 10.125 12.067 -8.990 1.00 0.00 O ATOM 1276 CB ASN A 85 12.133 10.470 -10.804 1.00 0.00 C ATOM 1277 CG ASN A 85 12.137 9.417 -11.895 1.00 0.00 C ATOM 1278 OD1 ASN A 85 11.272 9.413 -12.772 1.00 0.00 O ATOM 1279 ND2 ASN A 85 13.112 8.518 -11.846 1.00 0.00 N ATOM 0 H ASN A 85 12.547 12.093 -12.616 1.00 0.00 H new ATOM 0 HA ASN A 85 10.218 11.208 -11.439 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.141 10.866 -10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.855 10.007 -9.857 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.166 7.785 -12.553 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.807 8.560 -11.101 1.00 0.00 H new ATOM 1286 N PHE A 86 11.631 13.565 -9.731 1.00 0.00 N ATOM 1287 CA PHE A 86 11.494 14.440 -8.572 1.00 0.00 C ATOM 1288 C PHE A 86 10.464 15.533 -8.836 1.00 0.00 C ATOM 1289 O PHE A 86 9.788 16.000 -7.918 1.00 0.00 O ATOM 1290 CB PHE A 86 12.844 15.069 -8.220 1.00 0.00 C ATOM 1291 CG PHE A 86 13.916 14.060 -7.921 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.661 12.985 -7.085 1.00 0.00 C ATOM 1293 CD2 PHE A 86 15.179 14.188 -8.476 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.645 12.055 -6.809 1.00 0.00 C ATOM 1295 CE2 PHE A 86 16.167 13.261 -8.204 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.900 12.194 -7.368 1.00 0.00 C ATOM 0 H PHE A 86 12.300 13.891 -10.428 1.00 0.00 H new ATOM 0 HA PHE A 86 11.151 13.838 -7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 86 13.170 15.698 -9.048 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.718 15.720 -7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.682 12.873 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.394 15.021 -9.128 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.433 11.221 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 86 17.147 13.370 -8.645 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.672 11.470 -7.152 1.00 0.00 H new ATOM 1306 N LEU A 87 10.348 15.938 -10.096 1.00 0.00 N ATOM 1307 CA LEU A 87 9.400 16.978 -10.482 1.00 0.00 C ATOM 1308 C LEU A 87 8.159 16.370 -11.127 1.00 0.00 C ATOM 1309 O LEU A 87 7.558 16.963 -12.023 1.00 0.00 O ATOM 1310 CB LEU A 87 10.060 17.963 -11.448 1.00 0.00 C ATOM 1311 CG LEU A 87 11.427 18.504 -11.026 1.00 0.00 C ATOM 1312 CD1 LEU A 87 12.019 19.373 -12.124 1.00 0.00 C ATOM 1313 CD2 LEU A 87 11.313 19.287 -9.726 1.00 0.00 C ATOM 0 H LEU A 87 10.899 15.562 -10.868 1.00 0.00 H new ATOM 0 HA LEU A 87 9.095 17.511 -9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.168 17.474 -12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.386 18.807 -11.591 1.00 0.00 H new ATOM 0 HG LEU A 87 12.095 17.659 -10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.991 19.749 -11.806 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.138 18.782 -13.032 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.353 20.212 -12.323 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.295 19.664 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.629 20.124 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.933 18.634 -8.940 1.00 0.00 H new ATOM 1325 N LYS A 88 7.778 15.184 -10.663 1.00 0.00 N ATOM 1326 CA LYS A 88 6.605 14.497 -11.191 1.00 0.00 C ATOM 1327 C LYS A 88 5.345 14.917 -10.442 1.00 0.00 C ATOM 1328 O LYS A 88 4.270 15.030 -11.031 1.00 0.00 O ATOM 1329 CB LYS A 88 6.790 12.981 -11.091 1.00 0.00 C ATOM 1330 CG LYS A 88 6.989 12.485 -9.669 1.00 0.00 C ATOM 1331 CD LYS A 88 6.589 11.026 -9.526 1.00 0.00 C ATOM 1332 CE LYS A 88 7.763 10.097 -9.797 1.00 0.00 C ATOM 1333 NZ LYS A 88 8.554 9.829 -8.564 1.00 0.00 N ATOM 0 H LYS A 88 8.265 14.679 -9.922 1.00 0.00 H new ATOM 0 HA LYS A 88 6.492 14.775 -12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.918 12.488 -11.520 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.650 12.688 -11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.034 12.606 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.399 13.094 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.208 10.849 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.778 10.800 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.395 9.155 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.410 10.540 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.021 8.903 -8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.274 10.570 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.921 9.826 -7.739 1.00 0.00 H new ATOM 1433 N TYR A 95 5.734 20.380 -12.768 1.00 0.00 N ATOM 1434 CA TYR A 95 6.688 21.460 -12.988 1.00 0.00 C ATOM 1435 C TYR A 95 7.307 21.366 -14.379 1.00 0.00 C ATOM 1436 O TYR A 95 8.498 21.088 -14.523 1.00 0.00 O ATOM 1437 CB TYR A 95 7.787 21.422 -11.924 1.00 0.00 C ATOM 1438 CG TYR A 95 7.318 21.856 -10.554 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.309 21.166 -9.892 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.885 22.954 -9.919 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.877 21.560 -8.640 1.00 0.00 C ATOM 1442 CE2 TYR A 95 7.461 23.354 -8.667 1.00 0.00 C ATOM 1443 CZ TYR A 95 6.456 22.654 -8.032 1.00 0.00 C ATOM 1444 OH TYR A 95 6.030 23.048 -6.784 1.00 0.00 O ATOM 0 HA TYR A 95 6.151 22.406 -12.913 1.00 0.00 H new ATOM 0 HB2 TYR A 95 8.183 20.409 -11.859 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.608 22.066 -12.239 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.855 20.307 -10.364 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.672 23.505 -10.413 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.090 21.014 -8.140 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.913 24.210 -8.188 1.00 0.00 H new ATOM 0 HH TYR A 95 5.715 22.266 -6.284 1.00 0.00 H new ATOM 1454 N ASP A 96 6.491 21.601 -15.400 1.00 0.00 N ATOM 1455 CA ASP A 96 6.957 21.545 -16.780 1.00 0.00 C ATOM 1456 C ASP A 96 7.833 22.750 -17.107 1.00 0.00 C ATOM 1457 O ASP A 96 8.905 22.609 -17.695 1.00 0.00 O ATOM 1458 CB ASP A 96 5.768 21.487 -17.741 1.00 0.00 C ATOM 1459 CG ASP A 96 6.129 20.855 -19.071 1.00 0.00 C ATOM 1460 OD1 ASP A 96 7.312 20.932 -19.463 1.00 0.00 O ATOM 1461 OD2 ASP A 96 5.227 20.284 -19.720 1.00 0.00 O ATOM 0 H ASP A 96 5.503 21.832 -15.298 1.00 0.00 H new ATOM 0 HA ASP A 96 7.554 20.641 -16.899 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.959 20.920 -17.280 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.393 22.496 -17.911 1.00 0.00 H new ATOM 1466 N ARG A 97 7.368 23.935 -16.724 1.00 0.00 N ATOM 1467 CA ARG A 97 8.108 25.165 -16.978 1.00 0.00 C ATOM 1468 C ARG A 97 9.504 25.096 -16.368 1.00 0.00 C ATOM 1469 O ARG A 97 10.500 25.378 -17.035 1.00 0.00 O ATOM 1470 CB ARG A 97 7.351 26.367 -16.411 1.00 0.00 C ATOM 1471 CG ARG A 97 8.093 27.684 -16.568 1.00 0.00 C ATOM 1472 CD ARG A 97 7.221 28.866 -16.175 1.00 0.00 C ATOM 1473 NE ARG A 97 7.977 30.115 -16.135 1.00 0.00 N ATOM 1474 CZ ARG A 97 7.414 31.310 -15.995 1.00 0.00 C ATOM 1475 NH1 ARG A 97 6.098 31.418 -15.882 1.00 0.00 N ATOM 1476 NH2 ARG A 97 8.170 32.401 -15.968 1.00 0.00 N ATOM 0 H ARG A 97 6.482 24.069 -16.237 1.00 0.00 H new ATOM 0 HA ARG A 97 8.208 25.283 -18.057 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.384 26.443 -16.908 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.154 26.195 -15.353 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.991 27.672 -15.951 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.418 27.798 -17.602 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.400 28.962 -16.885 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.777 28.680 -15.197 1.00 0.00 H new ATOM 0 HE ARG A 97 8.992 30.067 -16.219 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.514 30.582 -15.902 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.669 32.337 -15.775 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.183 32.322 -16.055 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.738 33.319 -15.861 1.00 0.00 H new ATOM 1490 N VAL A 98 9.571 24.718 -15.095 1.00 0.00 N ATOM 1491 CA VAL A 98 10.845 24.611 -14.395 1.00 0.00 C ATOM 1492 C VAL A 98 11.711 23.509 -14.995 1.00 0.00 C ATOM 1493 O VAL A 98 12.903 23.703 -15.235 1.00 0.00 O ATOM 1494 CB VAL A 98 10.639 24.327 -12.895 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.975 24.288 -12.170 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.718 25.368 -12.278 1.00 0.00 C ATOM 0 H VAL A 98 8.757 24.481 -14.528 1.00 0.00 H new ATOM 0 HA VAL A 98 11.351 25.570 -14.510 1.00 0.00 H new ATOM 0 HB VAL A 98 10.168 23.350 -12.789 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.809 24.086 -11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.597 23.501 -12.596 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.478 25.249 -12.282 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.583 25.152 -11.218 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.159 26.358 -12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.751 25.341 -12.780 1.00 0.00 H new ATOM 1506 N TYR A 99 11.104 22.352 -15.237 1.00 0.00 N ATOM 1507 CA TYR A 99 11.820 21.218 -15.808 1.00 0.00 C ATOM 1508 C TYR A 99 12.474 21.598 -17.133 1.00 0.00 C ATOM 1509 O TYR A 99 13.625 21.249 -17.392 1.00 0.00 O ATOM 1510 CB TYR A 99 10.868 20.039 -16.015 1.00 0.00 C ATOM 1511 CG TYR A 99 11.528 18.831 -16.640 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.548 18.154 -15.983 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.132 18.366 -17.888 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.154 17.050 -16.550 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.732 17.262 -18.462 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.742 16.607 -17.789 1.00 0.00 C ATOM 1517 OH TYR A 99 13.343 15.508 -18.359 1.00 0.00 O ATOM 0 H TYR A 99 10.118 22.175 -15.046 1.00 0.00 H new ATOM 0 HA TYR A 99 12.603 20.925 -15.108 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.442 19.753 -15.053 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.040 20.358 -16.648 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.873 18.497 -15.012 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.342 18.876 -18.418 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.946 16.536 -16.026 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.412 16.914 -19.433 1.00 0.00 H new ATOM 0 HH TYR A 99 12.935 15.328 -19.232 1.00 0.00 H new ATOM 1527 N ASN A 100 11.730 22.315 -17.968 1.00 0.00 N ATOM 1528 CA ASN A 100 12.236 22.743 -19.267 1.00 0.00 C ATOM 1529 C ASN A 100 13.641 23.325 -19.139 1.00 0.00 C ATOM 1530 O ASN A 100 14.581 22.852 -19.776 1.00 0.00 O ATOM 1531 CB ASN A 100 11.297 23.780 -19.887 1.00 0.00 C ATOM 1532 CG ASN A 100 10.188 23.142 -20.700 1.00 0.00 C ATOM 1533 OD1 ASN A 100 10.302 21.996 -21.135 1.00 0.00 O ATOM 1534 ND2 ASN A 100 9.107 23.884 -20.910 1.00 0.00 N ATOM 0 H ASN A 100 10.775 22.612 -17.769 1.00 0.00 H new ATOM 0 HA ASN A 100 12.282 21.869 -19.917 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.860 24.389 -19.096 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.872 24.451 -20.525 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.328 23.509 -21.451 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.056 24.829 -20.530 1.00 0.00 H new ATOM 1541 N GLY A 101 13.776 24.355 -18.308 1.00 0.00 N ATOM 1542 CA GLY A 101 15.068 24.984 -18.111 1.00 0.00 C ATOM 1543 C GLY A 101 16.181 23.974 -17.914 1.00 0.00 C ATOM 1544 O GLY A 101 17.131 23.926 -18.696 1.00 0.00 O ATOM 0 H GLY A 101 13.013 24.764 -17.768 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.299 25.611 -18.973 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.020 25.641 -17.243 1.00 0.00 H new ATOM 1548 N TYR A 102 16.065 23.166 -16.866 1.00 0.00 N ATOM 1549 CA TYR A 102 17.072 22.154 -16.566 1.00 0.00 C ATOM 1550 C TYR A 102 17.484 21.405 -17.830 1.00 0.00 C ATOM 1551 O TYR A 102 18.664 21.350 -18.176 1.00 0.00 O ATOM 1552 CB TYR A 102 16.539 21.168 -15.526 1.00 0.00 C ATOM 1553 CG TYR A 102 17.593 20.226 -14.989 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.725 20.712 -14.346 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.459 18.850 -15.127 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.691 19.855 -13.855 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.419 17.986 -14.638 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.533 18.493 -14.003 1.00 0.00 C ATOM 1559 OH TYR A 102 20.492 17.635 -13.515 1.00 0.00 O ATOM 0 H TYR A 102 15.284 23.192 -16.210 1.00 0.00 H new ATOM 0 HA TYR A 102 17.950 22.659 -16.162 1.00 0.00 H new ATOM 0 HB2 TYR A 102 16.106 21.727 -14.696 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.734 20.583 -15.971 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.852 21.778 -14.228 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.589 18.449 -15.625 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.565 20.249 -13.358 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.298 16.919 -14.752 1.00 0.00 H new ATOM 0 HH TYR A 102 20.924 18.038 -12.733 1.00 0.00 H new ATOM 1569 N VAL A 103 16.502 20.829 -18.515 1.00 0.00 N ATOM 1570 CA VAL A 103 16.760 20.083 -19.742 1.00 0.00 C ATOM 1571 C VAL A 103 17.849 20.753 -20.572 1.00 0.00 C ATOM 1572 O VAL A 103 18.841 20.122 -20.939 1.00 0.00 O ATOM 1573 CB VAL A 103 15.486 19.950 -20.596 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.792 19.234 -21.903 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.399 19.221 -19.821 1.00 0.00 C ATOM 0 H VAL A 103 15.520 20.864 -18.242 1.00 0.00 H new ATOM 0 HA VAL A 103 17.094 19.089 -19.445 1.00 0.00 H new ATOM 0 HB VAL A 103 15.122 20.950 -20.834 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.880 19.149 -22.494 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.535 19.801 -22.463 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.180 18.238 -21.690 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.506 19.136 -20.440 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.750 18.225 -19.552 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.161 19.779 -18.915 1.00 0.00 H new ATOM 1585 N ILE A 104 17.657 22.035 -20.866 1.00 0.00 N ATOM 1586 CA ILE A 104 18.623 22.791 -21.652 1.00 0.00 C ATOM 1587 C ILE A 104 19.920 22.999 -20.878 1.00 0.00 C ATOM 1588 O ILE A 104 21.010 22.737 -21.388 1.00 0.00 O ATOM 1589 CB ILE A 104 18.061 24.164 -22.067 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.814 23.987 -22.936 1.00 0.00 C ATOM 1591 CG2 ILE A 104 19.119 24.968 -22.808 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.821 25.121 -22.806 1.00 0.00 C ATOM 0 H ILE A 104 16.841 22.571 -20.571 1.00 0.00 H new ATOM 0 HA ILE A 104 18.827 22.205 -22.548 1.00 0.00 H new ATOM 0 HB ILE A 104 17.780 24.712 -21.168 1.00 0.00 H new ATOM 0 HG12 ILE A 104 17.118 23.898 -23.979 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.323 23.052 -22.666 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.706 25.935 -23.094 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.982 25.119 -22.159 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.428 24.426 -23.702 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.963 24.929 -23.450 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.488 25.197 -21.771 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.295 26.056 -23.104 1.00 0.00 H new ATOM 1604 N HIS A 105 19.796 23.470 -19.641 1.00 0.00 N ATOM 1605 CA HIS A 105 20.958 23.710 -18.794 1.00 0.00 C ATOM 1606 C HIS A 105 22.016 22.630 -19.003 1.00 0.00 C ATOM 1607 O HIS A 105 23.152 22.924 -19.378 1.00 0.00 O ATOM 1608 CB HIS A 105 20.543 23.756 -17.323 1.00 0.00 C ATOM 1609 CG HIS A 105 21.665 24.105 -16.394 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.154 25.387 -16.253 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.394 23.332 -15.555 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.136 25.387 -15.370 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.301 24.152 -14.931 1.00 0.00 N ATOM 0 H HIS A 105 18.902 23.693 -19.203 1.00 0.00 H new ATOM 0 HA HIS A 105 21.387 24.672 -19.073 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.742 24.486 -17.203 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.135 22.786 -17.039 1.00 0.00 H new ATOM 0 HD1 HIS A 105 21.811 26.207 -16.753 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.283 22.268 -15.405 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.707 26.250 -15.060 1.00 0.00 H new ATOM 1622 N LEU A 106 21.636 21.382 -18.756 1.00 0.00 N ATOM 1623 CA LEU A 106 22.551 20.257 -18.917 1.00 0.00 C ATOM 1624 C LEU A 106 23.165 20.250 -20.314 1.00 0.00 C ATOM 1625 O LEU A 106 24.341 19.928 -20.484 1.00 0.00 O ATOM 1626 CB LEU A 106 21.820 18.938 -18.662 1.00 0.00 C ATOM 1627 CG LEU A 106 21.756 18.478 -17.205 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.910 17.220 -17.080 1.00 0.00 C ATOM 1629 CD2 LEU A 106 23.156 18.238 -16.658 1.00 0.00 C ATOM 0 H LEU A 106 20.700 21.123 -18.443 1.00 0.00 H new ATOM 0 HA LEU A 106 23.354 20.367 -18.188 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.801 19.032 -19.038 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.305 18.157 -19.248 1.00 0.00 H new ATOM 0 HG LEU A 106 21.288 19.267 -16.615 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.875 16.907 -16.036 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.899 17.425 -17.431 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.349 16.425 -17.683 1.00 0.00 H new ATOM 0 HD21 LEU A 106 23.090 17.911 -15.620 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.651 17.468 -17.250 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.731 19.162 -16.712 1.00 0.00 H new