USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 ASN : amide:sc= -1.21 K(o=-0.93,f=-3.4!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 156:sc= 0.283 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.0425 (180deg=-0.32) USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= -0.0705 (180deg=-0.433) 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+ -121:sc= -0.069 (180deg=-1.29) USER MOD Single : A 60 MET CE :methyl 158:sc= -0.141 (180deg=-0.534) USER MOD Single : A 70 TYR OH : rot -7:sc= -0.593 USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= -0.0693 (180deg=-0.386) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc=-0.00411 (180deg=-0.131) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.498 K(o=-0.5,f=-2.8) USER MOD Single : A 83 MET CE :methyl -145:sc= -2.84! (180deg=-3.81) USER MOD Single : A 84 SER OG : rot 106:sc= 0.901 USER MOD Single : A 85 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot -159:sc= 0.471 USER MOD Single : A 105 HIS :FLIP no HE2:sc= -0.657 F(o=-2.2,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.905 11.979 0.881 1.00 0.00 N ATOM 664 CA LEU A 47 14.332 13.273 1.401 1.00 0.00 C ATOM 665 C LEU A 47 15.064 14.076 0.330 1.00 0.00 C ATOM 666 O LEU A 47 14.882 15.288 0.217 1.00 0.00 O ATOM 667 CB LEU A 47 15.238 13.082 2.618 1.00 0.00 C ATOM 668 CG LEU A 47 14.529 12.902 3.961 1.00 0.00 C ATOM 669 CD1 LEU A 47 15.475 12.298 4.988 1.00 0.00 C ATOM 670 CD2 LEU A 47 13.980 14.232 4.457 1.00 0.00 C ATOM 0 HA LEU A 47 13.443 13.827 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.869 12.210 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.900 13.945 2.692 1.00 0.00 H new ATOM 0 HG LEU A 47 13.693 12.217 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.953 12.177 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.820 11.325 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.331 12.958 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.479 14.085 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.799 14.940 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.268 14.625 3.731 1.00 0.00 H new ATOM 682 N GLU A 48 15.890 13.391 -0.455 1.00 0.00 N ATOM 683 CA GLU A 48 16.647 14.041 -1.518 1.00 0.00 C ATOM 684 C GLU A 48 15.712 14.627 -2.573 1.00 0.00 C ATOM 685 O GLU A 48 15.971 15.696 -3.125 1.00 0.00 O ATOM 686 CB GLU A 48 17.610 13.047 -2.170 1.00 0.00 C ATOM 687 CG GLU A 48 18.261 13.573 -3.438 1.00 0.00 C ATOM 688 CD GLU A 48 18.757 12.462 -4.343 1.00 0.00 C ATOM 689 OE1 GLU A 48 19.838 11.903 -4.061 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.064 12.151 -5.335 1.00 0.00 O ATOM 0 H GLU A 48 16.052 12.387 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 48 17.221 14.854 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.389 12.785 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.069 12.130 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.544 14.187 -3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.097 14.220 -3.171 1.00 0.00 H new ATOM 697 N LYS A 49 14.623 13.917 -2.848 1.00 0.00 N ATOM 698 CA LYS A 49 13.647 14.364 -3.835 1.00 0.00 C ATOM 699 C LYS A 49 12.773 15.479 -3.270 1.00 0.00 C ATOM 700 O LYS A 49 12.511 16.477 -3.942 1.00 0.00 O ATOM 701 CB LYS A 49 12.771 13.192 -4.284 1.00 0.00 C ATOM 702 CG LYS A 49 11.592 13.610 -5.146 1.00 0.00 C ATOM 703 CD LYS A 49 10.368 13.925 -4.301 1.00 0.00 C ATOM 704 CE LYS A 49 9.496 12.695 -4.104 1.00 0.00 C ATOM 705 NZ LYS A 49 8.835 12.274 -5.371 1.00 0.00 N ATOM 0 H LYS A 49 14.394 13.029 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 49 14.191 14.754 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.384 12.483 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.399 12.669 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.863 14.486 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.354 12.813 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.683 14.308 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.786 14.712 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.105 11.875 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.737 12.905 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.985 11.717 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.565 13.116 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.493 11.695 -5.930 1.00 0.00 H new ATOM 719 N ALA A 50 12.325 15.303 -2.031 1.00 0.00 N ATOM 720 CA ALA A 50 11.483 16.296 -1.375 1.00 0.00 C ATOM 721 C ALA A 50 12.089 17.691 -1.488 1.00 0.00 C ATOM 722 O ALA A 50 11.388 18.661 -1.771 1.00 0.00 O ATOM 723 CB ALA A 50 11.273 15.927 0.086 1.00 0.00 C ATOM 0 H ALA A 50 12.531 14.482 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 50 10.516 16.306 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.643 16.677 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.789 14.952 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.237 15.887 0.593 1.00 0.00 H new ATOM 729 N ALA A 51 13.396 17.783 -1.264 1.00 0.00 N ATOM 730 CA ALA A 51 14.096 19.059 -1.343 1.00 0.00 C ATOM 731 C ALA A 51 13.983 19.662 -2.739 1.00 0.00 C ATOM 732 O ALA A 51 13.625 20.830 -2.894 1.00 0.00 O ATOM 733 CB ALA A 51 15.558 18.883 -0.958 1.00 0.00 C ATOM 0 H ALA A 51 13.991 16.989 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 51 13.627 19.747 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.069 19.844 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 51 15.623 18.504 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.031 18.175 -1.639 1.00 0.00 H new ATOM 739 N VAL A 52 14.291 18.859 -3.752 1.00 0.00 N ATOM 740 CA VAL A 52 14.224 19.314 -5.136 1.00 0.00 C ATOM 741 C VAL A 52 12.908 20.033 -5.415 1.00 0.00 C ATOM 742 O VAL A 52 12.893 21.128 -5.977 1.00 0.00 O ATOM 743 CB VAL A 52 14.373 18.140 -6.121 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.297 18.634 -7.557 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.679 17.399 -5.872 1.00 0.00 C ATOM 0 H VAL A 52 14.589 17.890 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 52 15.052 20.008 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 52 13.550 17.445 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.404 17.790 -8.238 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.334 19.116 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.098 19.351 -7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.768 16.572 -6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.517 18.083 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.688 17.010 -4.854 1.00 0.00 H new ATOM 755 N LYS A 53 11.804 19.409 -5.017 1.00 0.00 N ATOM 756 CA LYS A 53 10.482 19.989 -5.221 1.00 0.00 C ATOM 757 C LYS A 53 10.381 21.361 -4.563 1.00 0.00 C ATOM 758 O LYS A 53 9.913 22.322 -5.174 1.00 0.00 O ATOM 759 CB LYS A 53 9.403 19.061 -4.658 1.00 0.00 C ATOM 760 CG LYS A 53 8.888 18.046 -5.663 1.00 0.00 C ATOM 761 CD LYS A 53 7.979 18.695 -6.694 1.00 0.00 C ATOM 762 CE LYS A 53 6.983 17.697 -7.265 1.00 0.00 C ATOM 763 NZ LYS A 53 6.000 17.247 -6.242 1.00 0.00 N ATOM 0 H LYS A 53 11.799 18.502 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 53 10.327 20.108 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.805 18.532 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.567 19.663 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.730 17.571 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.344 17.259 -5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.442 19.525 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.582 19.112 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.453 18.151 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.519 16.833 -7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.134 16.918 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.409 16.469 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.769 18.040 -5.610 1.00 0.00 H new ATOM 777 N LYS A 54 10.825 21.447 -3.313 1.00 0.00 N ATOM 778 CA LYS A 54 10.788 22.702 -2.572 1.00 0.00 C ATOM 779 C LYS A 54 11.429 23.828 -3.376 1.00 0.00 C ATOM 780 O LYS A 54 10.836 24.892 -3.554 1.00 0.00 O ATOM 781 CB LYS A 54 11.506 22.546 -1.230 1.00 0.00 C ATOM 782 CG LYS A 54 10.606 22.048 -0.112 1.00 0.00 C ATOM 783 CD LYS A 54 11.379 21.854 1.182 1.00 0.00 C ATOM 784 CE LYS A 54 11.383 23.121 2.023 1.00 0.00 C ATOM 785 NZ LYS A 54 12.277 22.998 3.207 1.00 0.00 N ATOM 0 H LYS A 54 11.215 20.662 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 54 9.744 22.958 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.338 21.852 -1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.932 23.507 -0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.797 22.760 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.146 21.105 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.936 21.038 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.405 21.564 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.706 23.963 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.368 23.339 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.252 23.882 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.954 22.211 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.250 22.815 2.890 1.00 0.00 H new ATOM 799 N MET A 55 12.642 23.585 -3.862 1.00 0.00 N ATOM 800 CA MET A 55 13.362 24.579 -4.650 1.00 0.00 C ATOM 801 C MET A 55 12.559 24.981 -5.883 1.00 0.00 C ATOM 802 O MET A 55 12.545 26.148 -6.273 1.00 0.00 O ATOM 803 CB MET A 55 14.728 24.034 -5.072 1.00 0.00 C ATOM 804 CG MET A 55 15.551 23.495 -3.914 1.00 0.00 C ATOM 805 SD MET A 55 16.938 22.480 -4.461 1.00 0.00 S ATOM 806 CE MET A 55 18.231 23.713 -4.587 1.00 0.00 C ATOM 0 H MET A 55 13.147 22.709 -3.724 1.00 0.00 H new ATOM 0 HA MET A 55 13.507 25.463 -4.029 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.583 23.240 -5.804 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.289 24.826 -5.568 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.927 24.329 -3.322 1.00 0.00 H new ATOM 0 HG3 MET A 55 14.909 22.904 -3.261 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.155 23.238 -4.916 1.00 0.00 H new ATOM 0 HE2 MET A 55 17.938 24.475 -5.309 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.388 24.177 -3.613 1.00 0.00 H new ATOM 816 N ALA A 56 11.890 24.007 -6.492 1.00 0.00 N ATOM 817 CA ALA A 56 11.084 24.260 -7.679 1.00 0.00 C ATOM 818 C ALA A 56 9.996 25.290 -7.394 1.00 0.00 C ATOM 819 O ALA A 56 9.904 26.314 -8.071 1.00 0.00 O ATOM 820 CB ALA A 56 10.467 22.964 -8.184 1.00 0.00 C ATOM 0 H ALA A 56 11.891 23.035 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 56 11.737 24.664 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.867 23.168 -9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.258 22.258 -8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.832 22.536 -7.408 1.00 0.00 H new ATOM 826 N LYS A 57 9.173 25.012 -6.389 1.00 0.00 N ATOM 827 CA LYS A 57 8.091 25.914 -6.013 1.00 0.00 C ATOM 828 C LYS A 57 8.559 27.365 -6.039 1.00 0.00 C ATOM 829 O LYS A 57 8.010 28.191 -6.769 1.00 0.00 O ATOM 830 CB LYS A 57 7.566 25.561 -4.620 1.00 0.00 C ATOM 831 CG LYS A 57 6.675 24.330 -4.599 1.00 0.00 C ATOM 832 CD LYS A 57 5.938 24.198 -3.277 1.00 0.00 C ATOM 833 CE LYS A 57 6.856 23.694 -2.174 1.00 0.00 C ATOM 834 NZ LYS A 57 7.582 24.808 -1.504 1.00 0.00 N ATOM 0 H LYS A 57 9.235 24.168 -5.819 1.00 0.00 H new ATOM 0 HA LYS A 57 7.286 25.797 -6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.412 25.398 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.008 26.410 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.954 24.388 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.279 23.439 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.523 25.165 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.098 23.513 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.270 23.147 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.576 22.992 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.607 24.661 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.318 25.711 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.328 24.831 -0.496 1.00 0.00 H new ATOM 848 N ALA A 58 9.576 27.669 -5.240 1.00 0.00 N ATOM 849 CA ALA A 58 10.119 29.019 -5.174 1.00 0.00 C ATOM 850 C ALA A 58 10.345 29.589 -6.571 1.00 0.00 C ATOM 851 O ALA A 58 10.030 30.749 -6.837 1.00 0.00 O ATOM 852 CB ALA A 58 11.419 29.028 -4.383 1.00 0.00 C ATOM 0 H ALA A 58 10.041 26.997 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 58 9.392 29.651 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.813 30.043 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.231 28.671 -3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.145 28.376 -4.869 1.00 0.00 H new ATOM 858 N ILE A 59 10.893 28.766 -7.459 1.00 0.00 N ATOM 859 CA ILE A 59 11.160 29.188 -8.828 1.00 0.00 C ATOM 860 C ILE A 59 9.875 29.608 -9.535 1.00 0.00 C ATOM 861 O ILE A 59 9.810 30.675 -10.144 1.00 0.00 O ATOM 862 CB ILE A 59 11.837 28.069 -9.641 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.184 27.698 -9.015 1.00 0.00 C ATOM 864 CG2 ILE A 59 12.020 28.501 -11.088 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.813 26.464 -9.623 1.00 0.00 C ATOM 0 H ILE A 59 11.161 27.803 -7.255 1.00 0.00 H new ATOM 0 HA ILE A 59 11.835 30.042 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 59 11.195 27.189 -9.624 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.870 28.538 -9.125 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.047 27.537 -7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.500 27.699 -11.649 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.047 28.720 -11.528 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.644 29.394 -11.125 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.764 26.261 -9.131 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.146 25.612 -9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.983 26.629 -10.687 1.00 0.00 H new ATOM 877 N MET A 60 8.854 28.761 -9.446 1.00 0.00 N ATOM 878 CA MET A 60 7.569 29.045 -10.075 1.00 0.00 C ATOM 879 C MET A 60 7.225 30.527 -9.961 1.00 0.00 C ATOM 880 O MET A 60 6.803 31.152 -10.933 1.00 0.00 O ATOM 881 CB MET A 60 6.466 28.202 -9.433 1.00 0.00 C ATOM 882 CG MET A 60 6.719 26.706 -9.516 1.00 0.00 C ATOM 883 SD MET A 60 5.351 25.733 -8.857 1.00 0.00 S ATOM 884 CE MET A 60 4.800 24.881 -10.333 1.00 0.00 C ATOM 0 H MET A 60 8.892 27.873 -8.945 1.00 0.00 H new ATOM 0 HA MET A 60 7.644 28.788 -11.132 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.365 28.488 -8.386 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.517 28.429 -9.919 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.890 26.427 -10.556 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.629 26.464 -8.967 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.251 23.983 -10.051 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.149 25.538 -10.911 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.664 24.604 -10.937 1.00 0.00 H new ATOM 894 N ALA A 61 7.407 31.082 -8.767 1.00 0.00 N ATOM 895 CA ALA A 61 7.117 32.490 -8.527 1.00 0.00 C ATOM 896 C ALA A 61 8.272 33.375 -8.984 1.00 0.00 C ATOM 897 O ALA A 61 8.065 34.384 -9.658 1.00 0.00 O ATOM 898 CB ALA A 61 6.821 32.725 -7.053 1.00 0.00 C ATOM 0 H ALA A 61 7.754 30.578 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 61 6.236 32.758 -9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.606 33.781 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.958 32.129 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.686 32.434 -6.457 1.00 0.00 H new ATOM 904 N ASP A 62 9.488 32.990 -8.613 1.00 0.00 N ATOM 905 CA ASP A 62 10.677 33.748 -8.985 1.00 0.00 C ATOM 906 C ASP A 62 11.464 33.025 -10.074 1.00 0.00 C ATOM 907 O ASP A 62 12.149 32.032 -9.824 1.00 0.00 O ATOM 908 CB ASP A 62 11.567 33.975 -7.761 1.00 0.00 C ATOM 909 CG ASP A 62 11.122 35.166 -6.935 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.006 35.117 -6.377 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.890 36.146 -6.847 1.00 0.00 O ATOM 0 H ASP A 62 9.676 32.157 -8.055 1.00 0.00 H new ATOM 0 HA ASP A 62 10.355 34.714 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.558 33.081 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.596 34.126 -8.087 1.00 0.00 H new ATOM 916 N PRO A 63 11.364 33.532 -11.312 1.00 0.00 N ATOM 917 CA PRO A 63 12.059 32.950 -12.464 1.00 0.00 C ATOM 918 C PRO A 63 13.568 33.156 -12.395 1.00 0.00 C ATOM 919 O PRO A 63 14.341 32.295 -12.815 1.00 0.00 O ATOM 920 CB PRO A 63 11.469 33.709 -13.655 1.00 0.00 C ATOM 921 CG PRO A 63 11.013 35.009 -13.086 1.00 0.00 C ATOM 922 CD PRO A 63 10.566 34.712 -11.682 1.00 0.00 C ATOM 0 HA PRO A 63 11.922 31.870 -12.520 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.213 33.858 -14.437 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.641 33.160 -14.103 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.820 35.742 -13.092 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.197 35.428 -13.675 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.757 35.552 -11.014 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.497 34.504 -11.636 1.00 0.00 H new ATOM 930 N ASN A 64 13.981 34.302 -11.863 1.00 0.00 N ATOM 931 CA ASN A 64 15.399 34.620 -11.740 1.00 0.00 C ATOM 932 C ASN A 64 16.119 33.577 -10.890 1.00 0.00 C ATOM 933 O ASN A 64 17.248 33.189 -11.189 1.00 0.00 O ATOM 934 CB ASN A 64 15.579 36.009 -11.124 1.00 0.00 C ATOM 935 CG ASN A 64 14.619 36.262 -9.978 1.00 0.00 C ATOM 936 OD1 ASN A 64 14.811 35.760 -8.870 1.00 0.00 O ATOM 937 ND2 ASN A 64 13.578 37.044 -10.240 1.00 0.00 N ATOM 0 H ASN A 64 13.354 35.025 -11.510 1.00 0.00 H new ATOM 0 HA ASN A 64 15.836 34.613 -12.739 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.603 36.115 -10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.430 36.767 -11.893 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.898 37.250 -9.508 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.459 37.439 -11.173 1.00 0.00 H new ATOM 944 N LYS A 65 15.457 33.127 -9.830 1.00 0.00 N ATOM 945 CA LYS A 65 16.031 32.128 -8.937 1.00 0.00 C ATOM 946 C LYS A 65 16.377 30.852 -9.698 1.00 0.00 C ATOM 947 O LYS A 65 17.402 30.222 -9.439 1.00 0.00 O ATOM 948 CB LYS A 65 15.056 31.808 -7.802 1.00 0.00 C ATOM 949 CG LYS A 65 14.573 33.037 -7.051 1.00 0.00 C ATOM 950 CD LYS A 65 15.480 33.365 -5.877 1.00 0.00 C ATOM 951 CE LYS A 65 16.596 34.315 -6.284 1.00 0.00 C ATOM 952 NZ LYS A 65 16.196 35.741 -6.126 1.00 0.00 N ATOM 0 H LYS A 65 14.522 33.439 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 65 16.948 32.539 -8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.194 31.281 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.540 31.130 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.534 33.888 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.558 32.869 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.892 33.814 -5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.910 32.445 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.480 34.117 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.872 34.128 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.046 36.329 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.672 36.050 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.590 35.841 -5.286 1.00 0.00 H new ATOM 966 N ALA A 66 15.517 30.479 -10.640 1.00 0.00 N ATOM 967 CA ALA A 66 15.734 29.280 -11.441 1.00 0.00 C ATOM 968 C ALA A 66 17.195 29.157 -11.860 1.00 0.00 C ATOM 969 O ALA A 66 17.811 28.104 -11.697 1.00 0.00 O ATOM 970 CB ALA A 66 14.831 29.294 -12.666 1.00 0.00 C ATOM 0 H ALA A 66 14.664 30.990 -10.867 1.00 0.00 H new ATOM 0 HA ALA A 66 15.485 28.413 -10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.003 28.393 -13.255 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.789 29.327 -12.349 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.054 30.172 -13.272 1.00 0.00 H new ATOM 976 N ASP A 67 17.743 30.240 -12.402 1.00 0.00 N ATOM 977 CA ASP A 67 19.133 30.253 -12.844 1.00 0.00 C ATOM 978 C ASP A 67 20.034 29.563 -11.826 1.00 0.00 C ATOM 979 O ASP A 67 20.790 28.654 -12.168 1.00 0.00 O ATOM 980 CB ASP A 67 19.605 31.690 -13.070 1.00 0.00 C ATOM 981 CG ASP A 67 19.073 32.278 -14.363 1.00 0.00 C ATOM 982 OD1 ASP A 67 19.238 31.633 -15.420 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.491 33.381 -14.317 1.00 0.00 O ATOM 0 H ASP A 67 17.246 31.119 -12.546 1.00 0.00 H new ATOM 0 HA ASP A 67 19.194 29.706 -13.785 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.284 32.310 -12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.695 31.713 -13.085 1.00 0.00 H new ATOM 988 N GLU A 68 19.948 30.001 -10.574 1.00 0.00 N ATOM 989 CA GLU A 68 20.758 29.426 -9.506 1.00 0.00 C ATOM 990 C GLU A 68 20.391 27.963 -9.273 1.00 0.00 C ATOM 991 O GLU A 68 21.221 27.070 -9.436 1.00 0.00 O ATOM 992 CB GLU A 68 20.575 30.222 -8.212 1.00 0.00 C ATOM 993 CG GLU A 68 20.916 31.696 -8.351 1.00 0.00 C ATOM 994 CD GLU A 68 22.396 31.972 -8.172 1.00 0.00 C ATOM 995 OE1 GLU A 68 23.200 31.438 -8.964 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.750 32.723 -7.239 1.00 0.00 O ATOM 0 H GLU A 68 19.326 30.752 -10.274 1.00 0.00 H new ATOM 0 HA GLU A 68 21.804 29.476 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.541 30.127 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 68 21.201 29.785 -7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.601 32.047 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.352 32.267 -7.613 1.00 0.00 H new ATOM 1003 N VAL A 69 19.141 27.727 -8.888 1.00 0.00 N ATOM 1004 CA VAL A 69 18.662 26.374 -8.632 1.00 0.00 C ATOM 1005 C VAL A 69 19.179 25.400 -9.686 1.00 0.00 C ATOM 1006 O VAL A 69 19.846 24.417 -9.363 1.00 0.00 O ATOM 1007 CB VAL A 69 17.123 26.318 -8.608 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.643 24.881 -8.470 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.577 27.182 -7.481 1.00 0.00 C ATOM 0 H VAL A 69 18.441 28.456 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 69 19.044 26.083 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 69 16.747 26.712 -9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.553 24.861 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.005 24.294 -9.314 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.027 24.457 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.488 27.131 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.960 26.820 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.892 28.215 -7.629 1.00 0.00 H new ATOM 1019 N TYR A 70 18.866 25.680 -10.946 1.00 0.00 N ATOM 1020 CA TYR A 70 19.297 24.828 -12.048 1.00 0.00 C ATOM 1021 C TYR A 70 20.720 24.326 -11.824 1.00 0.00 C ATOM 1022 O TYR A 70 20.970 23.121 -11.797 1.00 0.00 O ATOM 1023 CB TYR A 70 19.215 25.590 -13.372 1.00 0.00 C ATOM 1024 CG TYR A 70 17.801 25.800 -13.863 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.875 24.764 -13.840 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.390 27.035 -14.350 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.582 24.952 -14.288 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.098 27.232 -14.799 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.198 26.187 -14.766 1.00 0.00 C ATOM 1030 OH TYR A 70 13.911 26.379 -15.214 1.00 0.00 O ATOM 0 H TYR A 70 18.315 26.490 -11.230 1.00 0.00 H new ATOM 0 HA TYR A 70 18.630 23.967 -12.090 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.697 26.560 -13.254 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.777 25.045 -14.131 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.171 23.795 -13.465 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.092 27.855 -14.378 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.875 24.136 -14.264 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.795 28.198 -15.174 1.00 0.00 H new ATOM 0 HH TYR A 70 13.439 25.520 -15.232 1.00 0.00 H new ATOM 1040 N LYS A 71 21.651 25.260 -11.662 1.00 0.00 N ATOM 1041 CA LYS A 71 23.050 24.916 -11.439 1.00 0.00 C ATOM 1042 C LYS A 71 23.203 24.034 -10.203 1.00 0.00 C ATOM 1043 O LYS A 71 23.866 22.998 -10.245 1.00 0.00 O ATOM 1044 CB LYS A 71 23.890 26.185 -11.279 1.00 0.00 C ATOM 1045 CG LYS A 71 24.357 26.775 -12.599 1.00 0.00 C ATOM 1046 CD LYS A 71 25.163 28.045 -12.387 1.00 0.00 C ATOM 1047 CE LYS A 71 25.141 28.932 -13.623 1.00 0.00 C ATOM 1048 NZ LYS A 71 23.785 29.494 -13.878 1.00 0.00 N ATOM 0 H LYS A 71 21.462 26.262 -11.681 1.00 0.00 H new ATOM 0 HA LYS A 71 23.404 24.360 -12.307 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.305 26.933 -10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.761 25.959 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.964 26.043 -13.132 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.493 26.992 -13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.761 28.595 -11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 71 26.193 27.787 -12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 71 25.854 29.747 -13.498 1.00 0.00 H new ATOM 0 HE3 LYS A 71 25.464 28.355 -14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.870 30.359 -14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.211 28.795 -14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.327 29.720 -12.972 1.00 0.00 H new ATOM 1062 N LYS A 72 22.584 24.452 -9.104 1.00 0.00 N ATOM 1063 CA LYS A 72 22.648 23.699 -7.857 1.00 0.00 C ATOM 1064 C LYS A 72 22.320 22.228 -8.091 1.00 0.00 C ATOM 1065 O LYS A 72 23.084 21.344 -7.705 1.00 0.00 O ATOM 1066 CB LYS A 72 21.680 24.291 -6.830 1.00 0.00 C ATOM 1067 CG LYS A 72 22.087 25.668 -6.333 1.00 0.00 C ATOM 1068 CD LYS A 72 21.559 25.934 -4.933 1.00 0.00 C ATOM 1069 CE LYS A 72 22.376 25.201 -3.880 1.00 0.00 C ATOM 1070 NZ LYS A 72 23.720 25.815 -3.694 1.00 0.00 N ATOM 0 H LYS A 72 22.032 25.308 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 72 23.665 23.769 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.686 24.353 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.607 23.614 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.174 25.750 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.709 26.429 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.582 27.005 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.517 25.620 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.838 25.210 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.491 24.157 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 24.151 25.449 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 24.326 25.577 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.623 26.848 -3.626 1.00 0.00 H new ATOM 1084 N TRP A 73 21.181 21.975 -8.726 1.00 0.00 N ATOM 1085 CA TRP A 73 20.754 20.610 -9.013 1.00 0.00 C ATOM 1086 C TRP A 73 21.838 19.846 -9.764 1.00 0.00 C ATOM 1087 O TRP A 73 22.299 18.799 -9.311 1.00 0.00 O ATOM 1088 CB TRP A 73 19.461 20.620 -9.830 1.00 0.00 C ATOM 1089 CG TRP A 73 18.239 20.894 -9.006 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.040 20.555 -7.698 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.048 21.562 -9.436 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.796 20.973 -7.289 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.168 21.594 -8.336 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.639 22.139 -10.641 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.906 22.177 -8.409 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.387 22.717 -10.712 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.532 22.734 -9.601 1.00 0.00 C ATOM 0 H TRP A 73 20.537 22.696 -9.052 1.00 0.00 H new ATOM 0 HA TRP A 73 20.573 20.106 -8.064 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.540 21.375 -10.612 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.347 19.657 -10.327 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.754 20.035 -7.077 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.404 20.842 -6.357 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.291 22.133 -11.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.246 22.189 -7.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.061 23.164 -11.640 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.560 23.196 -9.688 1.00 0.00 H new ATOM 1108 N ALA A 74 22.243 20.378 -10.913 1.00 0.00 N ATOM 1109 CA ALA A 74 23.275 19.746 -11.725 1.00 0.00 C ATOM 1110 C ALA A 74 24.494 19.387 -10.882 1.00 0.00 C ATOM 1111 O ALA A 74 25.033 18.285 -10.990 1.00 0.00 O ATOM 1112 CB ALA A 74 23.677 20.661 -12.873 1.00 0.00 C ATOM 0 H ALA A 74 21.872 21.245 -11.302 1.00 0.00 H new ATOM 0 HA ALA A 74 22.865 18.823 -12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.449 20.176 -13.471 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.807 20.864 -13.498 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.063 21.598 -12.473 1.00 0.00 H new ATOM 1118 N ASP A 75 24.924 20.323 -10.043 1.00 0.00 N ATOM 1119 CA ASP A 75 26.079 20.105 -9.180 1.00 0.00 C ATOM 1120 C ASP A 75 25.862 18.893 -8.278 1.00 0.00 C ATOM 1121 O ASP A 75 26.755 18.062 -8.111 1.00 0.00 O ATOM 1122 CB ASP A 75 26.350 21.347 -8.330 1.00 0.00 C ATOM 1123 CG ASP A 75 27.794 21.434 -7.876 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.311 20.427 -7.349 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.406 22.509 -8.046 1.00 0.00 O ATOM 0 H ASP A 75 24.490 21.240 -9.942 1.00 0.00 H new ATOM 0 HA ASP A 75 26.944 19.913 -9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.098 22.239 -8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.698 21.336 -7.457 1.00 0.00 H new ATOM 1130 N LYS A 76 24.671 18.800 -7.698 1.00 0.00 N ATOM 1131 CA LYS A 76 24.336 17.691 -6.812 1.00 0.00 C ATOM 1132 C LYS A 76 24.523 16.354 -7.521 1.00 0.00 C ATOM 1133 O LYS A 76 24.987 15.383 -6.924 1.00 0.00 O ATOM 1134 CB LYS A 76 22.892 17.823 -6.321 1.00 0.00 C ATOM 1135 CG LYS A 76 22.623 19.109 -5.560 1.00 0.00 C ATOM 1136 CD LYS A 76 23.019 18.985 -4.098 1.00 0.00 C ATOM 1137 CE LYS A 76 22.219 19.936 -3.221 1.00 0.00 C ATOM 1138 NZ LYS A 76 22.126 19.451 -1.816 1.00 0.00 N ATOM 0 H LYS A 76 23.921 19.479 -7.825 1.00 0.00 H new ATOM 0 HA LYS A 76 25.009 17.725 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.220 17.770 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.657 16.975 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.177 19.928 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.565 19.360 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.861 17.960 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.083 19.196 -3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.685 20.921 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.216 20.052 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.573 20.127 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.658 18.522 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.082 19.365 -1.415 1.00 0.00 H new ATOM 1152 N GLY A 77 24.159 16.310 -8.799 1.00 0.00 N ATOM 1153 CA GLY A 77 24.296 15.087 -9.568 1.00 0.00 C ATOM 1154 C GLY A 77 22.957 14.504 -9.974 1.00 0.00 C ATOM 1155 O GLY A 77 22.710 13.311 -9.792 1.00 0.00 O ATOM 0 H GLY A 77 23.772 17.100 -9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.887 15.288 -10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.846 14.352 -8.980 1.00 0.00 H new ATOM 1159 N TYR A 78 22.090 15.346 -10.524 1.00 0.00 N ATOM 1160 CA TYR A 78 20.766 14.909 -10.953 1.00 0.00 C ATOM 1161 C TYR A 78 20.675 14.861 -12.475 1.00 0.00 C ATOM 1162 O TYR A 78 21.326 15.639 -13.173 1.00 0.00 O ATOM 1163 CB TYR A 78 19.692 15.844 -10.395 1.00 0.00 C ATOM 1164 CG TYR A 78 19.701 15.946 -8.887 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.624 14.807 -8.094 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.784 17.180 -8.255 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.631 14.896 -6.715 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.794 17.278 -6.877 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.717 16.133 -6.111 1.00 0.00 C ATOM 1170 OH TYR A 78 19.724 16.226 -4.738 1.00 0.00 O ATOM 0 H TYR A 78 22.280 16.335 -10.684 1.00 0.00 H new ATOM 0 HA TYR A 78 20.599 13.904 -10.566 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.832 16.838 -10.819 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.713 15.494 -10.721 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.558 13.837 -8.563 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.842 18.079 -8.851 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.569 14.001 -6.113 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.862 18.246 -6.402 1.00 0.00 H new ATOM 0 HH TYR A 78 19.790 17.167 -4.474 1.00 0.00 H new ATOM 1180 N THR A 79 19.862 13.941 -12.984 1.00 0.00 N ATOM 1181 CA THR A 79 19.684 13.789 -14.422 1.00 0.00 C ATOM 1182 C THR A 79 18.207 13.715 -14.789 1.00 0.00 C ATOM 1183 O THR A 79 17.372 13.328 -13.971 1.00 0.00 O ATOM 1184 CB THR A 79 20.396 12.527 -14.946 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.893 11.367 -14.274 1.00 0.00 O ATOM 1186 CG2 THR A 79 21.899 12.628 -14.739 1.00 0.00 C ATOM 0 H THR A 79 19.316 13.289 -12.421 1.00 0.00 H new ATOM 0 HA THR A 79 20.127 14.668 -14.890 1.00 0.00 H new ATOM 0 HB THR A 79 20.198 12.442 -16.015 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.349 10.569 -14.614 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.380 11.726 -15.117 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.283 13.495 -15.276 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.113 12.735 -13.676 1.00 0.00 H new ATOM 1194 N LEU A 80 17.889 14.088 -16.024 1.00 0.00 N ATOM 1195 CA LEU A 80 16.511 14.064 -16.500 1.00 0.00 C ATOM 1196 C LEU A 80 15.743 12.898 -15.885 1.00 0.00 C ATOM 1197 O LEU A 80 14.581 13.038 -15.503 1.00 0.00 O ATOM 1198 CB LEU A 80 16.479 13.961 -18.026 1.00 0.00 C ATOM 1199 CG LEU A 80 17.158 15.099 -18.790 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.279 14.755 -20.266 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.388 16.399 -18.605 1.00 0.00 C ATOM 0 H LEU A 80 18.567 14.411 -16.714 1.00 0.00 H new ATOM 0 HA LEU A 80 16.031 14.994 -16.194 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.951 13.023 -18.317 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.438 13.906 -18.345 1.00 0.00 H new ATOM 0 HG LEU A 80 18.162 15.233 -18.387 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.764 15.577 -20.793 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.874 13.849 -20.381 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.286 14.593 -20.684 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.885 17.198 -19.155 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.372 16.277 -18.981 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.354 16.654 -17.546 1.00 0.00 H new ATOM 1213 N THR A 81 16.401 11.747 -15.790 1.00 0.00 N ATOM 1214 CA THR A 81 15.782 10.557 -15.221 1.00 0.00 C ATOM 1215 C THR A 81 15.341 10.802 -13.782 1.00 0.00 C ATOM 1216 O THR A 81 14.175 10.604 -13.440 1.00 0.00 O ATOM 1217 CB THR A 81 16.743 9.353 -15.253 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.126 9.068 -16.603 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.092 8.125 -14.635 1.00 0.00 C ATOM 0 H THR A 81 17.364 11.614 -16.100 1.00 0.00 H new ATOM 0 HA THR A 81 14.909 10.332 -15.833 1.00 0.00 H new ATOM 0 HB THR A 81 17.629 9.607 -14.671 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.738 8.303 -16.615 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.789 7.288 -14.669 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.828 8.336 -13.599 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.192 7.870 -15.194 1.00 0.00 H new ATOM 1227 N GLN A 82 16.279 11.233 -12.946 1.00 0.00 N ATOM 1228 CA GLN A 82 15.985 11.505 -11.543 1.00 0.00 C ATOM 1229 C GLN A 82 15.176 12.789 -11.396 1.00 0.00 C ATOM 1230 O GLN A 82 14.101 12.792 -10.796 1.00 0.00 O ATOM 1231 CB GLN A 82 17.282 11.610 -10.740 1.00 0.00 C ATOM 1232 CG GLN A 82 17.991 10.278 -10.552 1.00 0.00 C ATOM 1233 CD GLN A 82 17.222 9.329 -9.655 1.00 0.00 C ATOM 1234 OE1 GLN A 82 16.121 9.641 -9.200 1.00 0.00 O ATOM 1235 NE2 GLN A 82 17.798 8.160 -9.397 1.00 0.00 N ATOM 0 H GLN A 82 17.248 11.402 -13.215 1.00 0.00 H new ATOM 0 HA GLN A 82 15.392 10.677 -11.154 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.956 12.303 -11.243 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.060 12.035 -9.761 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.141 9.810 -11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.979 10.454 -10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.712 7.943 -9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.327 7.480 -8.801 1.00 0.00 H new ATOM 1244 N MET A 83 15.700 13.879 -11.946 1.00 0.00 N ATOM 1245 CA MET A 83 15.025 15.170 -11.876 1.00 0.00 C ATOM 1246 C MET A 83 13.527 15.014 -12.112 1.00 0.00 C ATOM 1247 O MET A 83 12.712 15.449 -11.298 1.00 0.00 O ATOM 1248 CB MET A 83 15.617 16.136 -12.905 1.00 0.00 C ATOM 1249 CG MET A 83 14.946 17.499 -12.915 1.00 0.00 C ATOM 1250 SD MET A 83 15.065 18.344 -11.326 1.00 0.00 S ATOM 1251 CE MET A 83 16.830 18.268 -11.033 1.00 0.00 C ATOM 0 H MET A 83 16.590 13.894 -12.445 1.00 0.00 H new ATOM 0 HA MET A 83 15.177 15.577 -10.876 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.680 16.265 -12.701 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.535 15.692 -13.897 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.403 18.119 -13.687 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.896 17.381 -13.181 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.017 18.146 -9.966 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.253 17.422 -11.574 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.296 19.190 -11.380 1.00 0.00 H new ATOM 1261 N SER A 84 13.170 14.391 -13.231 1.00 0.00 N ATOM 1262 CA SER A 84 11.769 14.181 -13.575 1.00 0.00 C ATOM 1263 C SER A 84 11.020 13.516 -12.424 1.00 0.00 C ATOM 1264 O SER A 84 9.987 14.010 -11.974 1.00 0.00 O ATOM 1265 CB SER A 84 11.654 13.322 -14.836 1.00 0.00 C ATOM 1266 OG SER A 84 12.176 14.002 -15.965 1.00 0.00 O ATOM 0 H SER A 84 13.832 14.023 -13.914 1.00 0.00 H new ATOM 0 HA SER A 84 11.318 15.155 -13.765 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.191 12.385 -14.692 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.609 13.067 -15.012 1.00 0.00 H new ATOM 0 HG SER A 84 13.042 13.613 -16.210 1.00 0.00 H new ATOM 1272 N ASN A 85 11.550 12.392 -11.953 1.00 0.00 N ATOM 1273 CA ASN A 85 10.932 11.658 -10.854 1.00 0.00 C ATOM 1274 C ASN A 85 10.642 12.583 -9.676 1.00 0.00 C ATOM 1275 O ASN A 85 9.617 12.451 -9.007 1.00 0.00 O ATOM 1276 CB ASN A 85 11.841 10.511 -10.405 1.00 0.00 C ATOM 1277 CG ASN A 85 11.591 9.235 -11.186 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.492 9.011 -11.695 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.612 8.392 -11.283 1.00 0.00 N ATOM 0 H ASN A 85 12.405 11.970 -12.315 1.00 0.00 H new ATOM 0 HA ASN A 85 9.988 11.247 -11.210 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.883 10.809 -10.524 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.684 10.321 -9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.504 7.517 -11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.505 8.620 -10.845 1.00 0.00 H new ATOM 1286 N PHE A 86 11.552 13.520 -9.429 1.00 0.00 N ATOM 1287 CA PHE A 86 11.394 14.468 -8.332 1.00 0.00 C ATOM 1288 C PHE A 86 10.338 15.517 -8.667 1.00 0.00 C ATOM 1289 O PHE A 86 9.627 16.002 -7.786 1.00 0.00 O ATOM 1290 CB PHE A 86 12.728 15.151 -8.025 1.00 0.00 C ATOM 1291 CG PHE A 86 13.876 14.191 -7.891 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.657 12.876 -7.517 1.00 0.00 C ATOM 1293 CD2 PHE A 86 15.175 14.606 -8.139 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.711 11.990 -7.393 1.00 0.00 C ATOM 1295 CE2 PHE A 86 16.233 13.724 -8.017 1.00 0.00 C ATOM 1296 CZ PHE A 86 16.001 12.416 -7.643 1.00 0.00 C ATOM 0 H PHE A 86 12.406 13.643 -9.973 1.00 0.00 H new ATOM 0 HA PHE A 86 11.065 13.916 -7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.952 15.865 -8.817 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.631 15.721 -7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.650 12.538 -7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.363 15.629 -8.431 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.526 10.967 -7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 86 17.241 14.059 -8.214 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.827 11.727 -7.546 1.00 0.00 H new ATOM 1306 N LEU A 87 10.241 15.862 -9.946 1.00 0.00 N ATOM 1307 CA LEU A 87 9.272 16.855 -10.399 1.00 0.00 C ATOM 1308 C LEU A 87 8.123 16.190 -11.150 1.00 0.00 C ATOM 1309 O LEU A 87 7.516 16.791 -12.037 1.00 0.00 O ATOM 1310 CB LEU A 87 9.954 17.888 -11.297 1.00 0.00 C ATOM 1311 CG LEU A 87 11.131 18.643 -10.679 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.854 19.463 -11.736 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.654 19.536 -9.543 1.00 0.00 C ATOM 0 H LEU A 87 10.821 15.469 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 87 8.865 17.358 -9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.305 17.382 -12.197 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.206 18.616 -11.612 1.00 0.00 H new ATOM 0 HG LEU A 87 11.832 17.914 -10.272 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.689 19.993 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.230 18.801 -12.516 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.163 20.183 -12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.505 20.066 -9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.933 20.258 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.182 18.925 -8.773 1.00 0.00 H new ATOM 1325 N LYS A 88 7.828 14.946 -10.788 1.00 0.00 N ATOM 1326 CA LYS A 88 6.749 14.200 -11.425 1.00 0.00 C ATOM 1327 C LYS A 88 5.388 14.723 -10.978 1.00 0.00 C ATOM 1328 O LYS A 88 4.510 14.980 -11.801 1.00 0.00 O ATOM 1329 CB LYS A 88 6.868 12.710 -11.095 1.00 0.00 C ATOM 1330 CG LYS A 88 6.180 11.807 -12.104 1.00 0.00 C ATOM 1331 CD LYS A 88 6.937 11.763 -13.420 1.00 0.00 C ATOM 1332 CE LYS A 88 7.976 10.652 -13.429 1.00 0.00 C ATOM 1333 NZ LYS A 88 8.527 10.419 -14.793 1.00 0.00 N ATOM 0 H LYS A 88 8.321 14.433 -10.057 1.00 0.00 H new ATOM 0 HA LYS A 88 6.834 14.336 -12.503 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.923 12.442 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.441 12.530 -10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.099 10.799 -11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.165 12.163 -12.279 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.235 11.612 -14.240 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.426 12.722 -13.592 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.788 10.908 -12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.527 9.731 -13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.231 9.655 -14.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.756 10.150 -15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.978 11.290 -15.138 1.00 0.00 H new ATOM 1433 N TYR A 95 5.231 21.119 -13.425 1.00 0.00 N ATOM 1434 CA TYR A 95 6.530 21.770 -13.311 1.00 0.00 C ATOM 1435 C TYR A 95 7.212 21.866 -14.673 1.00 0.00 C ATOM 1436 O TYR A 95 8.396 21.557 -14.810 1.00 0.00 O ATOM 1437 CB TYR A 95 7.424 21.005 -12.333 1.00 0.00 C ATOM 1438 CG TYR A 95 6.937 21.055 -10.903 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.064 20.092 -10.412 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.351 22.064 -10.042 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.616 20.134 -9.106 1.00 0.00 C ATOM 1442 CE2 TYR A 95 6.909 22.113 -8.734 1.00 0.00 C ATOM 1443 CZ TYR A 95 6.041 21.146 -8.271 1.00 0.00 C ATOM 1444 OH TYR A 95 5.599 21.190 -6.969 1.00 0.00 O ATOM 0 HA TYR A 95 6.370 22.780 -12.932 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.488 19.964 -12.650 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.433 21.415 -12.379 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.730 19.297 -11.062 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.030 22.823 -10.402 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.936 19.378 -8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.241 22.904 -8.078 1.00 0.00 H new ATOM 0 HH TYR A 95 5.993 21.964 -6.516 1.00 0.00 H new ATOM 1454 N ASP A 96 6.456 22.296 -15.677 1.00 0.00 N ATOM 1455 CA ASP A 96 6.987 22.435 -17.028 1.00 0.00 C ATOM 1456 C ASP A 96 8.026 23.550 -17.092 1.00 0.00 C ATOM 1457 O ASP A 96 9.173 23.321 -17.476 1.00 0.00 O ATOM 1458 CB ASP A 96 5.854 22.719 -18.017 1.00 0.00 C ATOM 1459 CG ASP A 96 6.190 22.271 -19.426 1.00 0.00 C ATOM 1460 OD1 ASP A 96 6.493 21.074 -19.611 1.00 0.00 O ATOM 1461 OD2 ASP A 96 6.151 23.118 -20.343 1.00 0.00 O ATOM 0 H ASP A 96 5.474 22.554 -15.581 1.00 0.00 H new ATOM 0 HA ASP A 96 7.471 21.497 -17.300 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.949 22.212 -17.684 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.638 23.787 -18.020 1.00 0.00 H new ATOM 1466 N ARG A 97 7.616 24.757 -16.716 1.00 0.00 N ATOM 1467 CA ARG A 97 8.510 25.908 -16.733 1.00 0.00 C ATOM 1468 C ARG A 97 9.798 25.606 -15.972 1.00 0.00 C ATOM 1469 O ARG A 97 10.850 26.180 -16.258 1.00 0.00 O ATOM 1470 CB ARG A 97 7.818 27.128 -16.123 1.00 0.00 C ATOM 1471 CG ARG A 97 7.665 27.049 -14.612 1.00 0.00 C ATOM 1472 CD ARG A 97 6.389 26.321 -14.219 1.00 0.00 C ATOM 1473 NE ARG A 97 5.200 26.959 -14.779 1.00 0.00 N ATOM 1474 CZ ARG A 97 3.961 26.659 -14.407 1.00 0.00 C ATOM 1475 NH1 ARG A 97 3.749 25.734 -13.481 1.00 0.00 N ATOM 1476 NH2 ARG A 97 2.930 27.283 -14.963 1.00 0.00 N ATOM 0 H ARG A 97 6.670 24.963 -16.396 1.00 0.00 H new ATOM 0 HA ARG A 97 8.763 26.125 -17.771 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.387 28.022 -16.376 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.832 27.240 -16.574 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.525 26.534 -14.184 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.655 28.055 -14.193 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.441 25.288 -14.561 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.308 26.293 -13.132 1.00 0.00 H new ATOM 0 HE ARG A 97 5.329 27.674 -15.495 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.539 25.251 -13.053 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.796 25.506 -13.197 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.089 27.994 -15.677 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.979 27.052 -14.676 1.00 0.00 H new ATOM 1490 N VAL A 98 9.708 24.703 -15.000 1.00 0.00 N ATOM 1491 CA VAL A 98 10.866 24.325 -14.198 1.00 0.00 C ATOM 1492 C VAL A 98 11.698 23.260 -14.903 1.00 0.00 C ATOM 1493 O VAL A 98 12.909 23.413 -15.068 1.00 0.00 O ATOM 1494 CB VAL A 98 10.441 23.798 -12.815 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.653 23.308 -12.036 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.698 24.875 -12.039 1.00 0.00 C ATOM 0 H VAL A 98 8.845 24.220 -14.749 1.00 0.00 H new ATOM 0 HA VAL A 98 11.469 25.224 -14.067 1.00 0.00 H new ATOM 0 HB VAL A 98 9.765 22.955 -12.958 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.334 22.939 -11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.139 22.503 -12.587 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.355 24.130 -11.901 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.405 24.485 -11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.348 25.740 -11.904 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.808 25.173 -12.592 1.00 0.00 H new ATOM 1506 N TYR A 99 11.042 22.182 -15.316 1.00 0.00 N ATOM 1507 CA TYR A 99 11.722 21.090 -16.002 1.00 0.00 C ATOM 1508 C TYR A 99 12.391 21.582 -17.282 1.00 0.00 C ATOM 1509 O TYR A 99 13.604 21.458 -17.449 1.00 0.00 O ATOM 1510 CB TYR A 99 10.732 19.971 -16.329 1.00 0.00 C ATOM 1511 CG TYR A 99 11.359 18.800 -17.053 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.076 17.833 -16.360 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.235 18.663 -18.430 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.651 16.763 -17.017 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.806 17.595 -19.096 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.513 16.648 -18.385 1.00 0.00 C ATOM 1517 OH TYR A 99 13.084 15.583 -19.044 1.00 0.00 O ATOM 0 H TYR A 99 10.040 22.041 -15.188 1.00 0.00 H new ATOM 0 HA TYR A 99 12.493 20.702 -15.337 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.280 19.615 -15.403 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.927 20.377 -16.941 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.186 17.919 -15.289 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.683 19.404 -18.990 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.206 16.020 -16.463 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.699 17.503 -20.167 1.00 0.00 H new ATOM 0 HH TYR A 99 12.892 15.651 -20.003 1.00 0.00 H new ATOM 1527 N ASN A 100 11.590 22.143 -18.183 1.00 0.00 N ATOM 1528 CA ASN A 100 12.104 22.655 -19.448 1.00 0.00 C ATOM 1529 C ASN A 100 13.456 23.333 -19.252 1.00 0.00 C ATOM 1530 O ASN A 100 14.442 22.971 -19.892 1.00 0.00 O ATOM 1531 CB ASN A 100 11.110 23.642 -20.063 1.00 0.00 C ATOM 1532 CG ASN A 100 11.754 24.538 -21.104 1.00 0.00 C ATOM 1533 OD1 ASN A 100 12.226 24.066 -22.138 1.00 0.00 O ATOM 1534 ND2 ASN A 100 11.777 25.838 -20.833 1.00 0.00 N ATOM 0 H ASN A 100 10.584 22.254 -18.060 1.00 0.00 H new ATOM 0 HA ASN A 100 12.236 21.812 -20.126 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.289 23.089 -20.521 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.679 24.258 -19.274 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.198 26.490 -21.495 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.373 26.185 -19.963 1.00 0.00 H new ATOM 1541 N GLY A 101 13.495 24.319 -18.361 1.00 0.00 N ATOM 1542 CA GLY A 101 14.731 25.031 -18.096 1.00 0.00 C ATOM 1543 C GLY A 101 15.891 24.096 -17.819 1.00 0.00 C ATOM 1544 O GLY A 101 16.948 24.206 -18.441 1.00 0.00 O ATOM 0 H GLY A 101 12.692 24.637 -17.818 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.973 25.662 -18.951 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.590 25.692 -17.241 1.00 0.00 H new ATOM 1548 N TYR A 102 15.696 23.175 -16.882 1.00 0.00 N ATOM 1549 CA TYR A 102 16.737 22.219 -16.521 1.00 0.00 C ATOM 1550 C TYR A 102 17.218 21.449 -17.747 1.00 0.00 C ATOM 1551 O TYR A 102 18.416 21.388 -18.026 1.00 0.00 O ATOM 1552 CB TYR A 102 16.218 21.244 -15.464 1.00 0.00 C ATOM 1553 CG TYR A 102 17.312 20.466 -14.768 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.344 21.122 -14.107 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.315 19.077 -14.771 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.347 20.416 -13.471 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.313 18.363 -14.136 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.326 19.037 -13.487 1.00 0.00 C ATOM 1559 OH TYR A 102 20.323 18.330 -12.855 1.00 0.00 O ATOM 0 H TYR A 102 14.827 23.070 -16.358 1.00 0.00 H new ATOM 0 HA TYR A 102 17.580 22.775 -16.110 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.648 21.799 -14.719 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.529 20.543 -15.935 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.362 22.202 -14.090 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.523 18.546 -15.279 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.143 20.941 -12.964 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.300 17.283 -14.148 1.00 0.00 H new ATOM 0 HH TYR A 102 20.366 17.423 -13.225 1.00 0.00 H new ATOM 1569 N VAL A 103 16.275 20.862 -18.477 1.00 0.00 N ATOM 1570 CA VAL A 103 16.601 20.097 -19.675 1.00 0.00 C ATOM 1571 C VAL A 103 17.662 20.807 -20.508 1.00 0.00 C ATOM 1572 O VAL A 103 18.666 20.207 -20.895 1.00 0.00 O ATOM 1573 CB VAL A 103 15.353 19.861 -20.546 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.724 19.113 -21.818 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.292 19.103 -19.762 1.00 0.00 C ATOM 0 H VAL A 103 15.279 20.902 -18.260 1.00 0.00 H new ATOM 0 HA VAL A 103 16.989 19.135 -19.341 1.00 0.00 H new ATOM 0 HB VAL A 103 14.940 20.829 -20.829 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.830 18.955 -22.421 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.447 19.698 -22.387 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.162 18.149 -21.559 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.417 18.945 -20.393 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.692 18.139 -19.447 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.006 19.681 -18.883 1.00 0.00 H new ATOM 1585 N ILE A 104 17.434 22.087 -20.781 1.00 0.00 N ATOM 1586 CA ILE A 104 18.372 22.878 -21.568 1.00 0.00 C ATOM 1587 C ILE A 104 19.700 23.044 -20.837 1.00 0.00 C ATOM 1588 O ILE A 104 20.770 22.910 -21.432 1.00 0.00 O ATOM 1589 CB ILE A 104 17.800 24.271 -21.891 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.546 24.143 -22.759 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.848 25.126 -22.588 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.638 25.351 -22.690 1.00 0.00 C ATOM 0 H ILE A 104 16.608 22.598 -20.469 1.00 0.00 H new ATOM 0 HA ILE A 104 18.538 22.336 -22.499 1.00 0.00 H new ATOM 0 HB ILE A 104 17.524 24.759 -20.956 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.846 23.982 -23.795 1.00 0.00 H new ATOM 0 HG13 ILE A 104 15.987 23.260 -22.448 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.428 26.107 -22.810 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.715 25.241 -21.938 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.152 24.643 -23.517 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.770 25.191 -23.329 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.309 25.500 -21.662 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.180 26.234 -23.029 1.00 0.00 H new ATOM 1604 N HIS A 105 19.624 23.334 -19.542 1.00 0.00 N ATOM 1605 CA HIS A 105 20.821 23.515 -18.728 1.00 0.00 C ATOM 1606 C HIS A 105 21.821 22.390 -18.975 1.00 0.00 C ATOM 1607 O HIS A 105 22.959 22.634 -19.380 1.00 0.00 O ATOM 1608 CB HIS A 105 20.452 23.568 -17.245 1.00 0.00 C ATOM 1609 CG HIS A 105 21.638 23.566 -16.332 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.491 22.572 -15.990 1.00 0.00 N flip ATOM 1611 CD2 HIS A 105 22.064 24.685 -15.648 1.00 0.00 C flip ATOM 1612 CE1 HIS A 105 23.407 23.103 -15.115 1.00 0.00 C flip ATOM 1613 NE2 HIS A 105 23.127 24.380 -14.926 1.00 0.00 N flip ATOM 0 H HIS A 105 18.747 23.449 -19.034 1.00 0.00 H new ATOM 0 HA HIS A 105 21.285 24.459 -19.013 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.862 24.465 -17.058 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.819 22.714 -17.006 1.00 0.00 H new ATOM 0 HD1 HIS A 105 22.459 21.608 -16.321 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.600 25.659 -15.695 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.223 22.564 -14.656 1.00 0.00 H new ATOM 1622 N LEU A 106 21.391 21.157 -18.728 1.00 0.00 N ATOM 1623 CA LEU A 106 22.249 19.994 -18.924 1.00 0.00 C ATOM 1624 C LEU A 106 23.033 20.108 -20.228 1.00 0.00 C ATOM 1625 O LEU A 106 24.217 19.776 -20.283 1.00 0.00 O ATOM 1626 CB LEU A 106 21.413 18.713 -18.928 1.00 0.00 C ATOM 1627 CG LEU A 106 21.039 18.151 -17.556 1.00 0.00 C ATOM 1628 CD1 LEU A 106 22.243 17.489 -16.904 1.00 0.00 C ATOM 1629 CD2 LEU A 106 20.484 19.251 -16.662 1.00 0.00 C ATOM 0 H LEU A 106 20.453 20.937 -18.392 1.00 0.00 H new ATOM 0 HA LEU A 106 22.959 19.954 -18.098 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.494 18.904 -19.483 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.962 17.946 -19.475 1.00 0.00 H new ATOM 0 HG LEU A 106 20.265 17.396 -17.693 1.00 0.00 H new ATOM 0 HD11 LEU A 106 21.958 17.095 -15.929 1.00 0.00 H new ATOM 0 HD12 LEU A 106 22.596 16.674 -17.535 1.00 0.00 H new ATOM 0 HD13 LEU A 106 23.039 18.223 -16.780 1.00 0.00 H new ATOM 0 HD21 LEU A 106 20.223 18.833 -15.690 1.00 0.00 H new ATOM 0 HD22 LEU A 106 21.237 20.029 -16.532 1.00 0.00 H new ATOM 0 HD23 LEU A 106 19.594 19.680 -17.123 1.00 0.00 H new