USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=16 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 55 MET CE :methyl -138:sc= -0.671 (180deg=-3.79!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.478) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -157:sc= 0.137 (180deg=-0.131) USER MOD Set 2.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= -0.151 (180deg=-0.239) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 159:sc= -1.25 (180deg=-3.45!) USER MOD Single : A 64 ASN : amide:sc= -0.0761 K(o=-0.076,f=-1.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -19:sc= 0.435 USER MOD Single : A 71 LYS NZ :NH3+ 164:sc=-0.000838 (180deg=-0.105) USER MOD Single : A 72 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= -0.0151 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 83 MET CE :methyl -157:sc= -3.59! (180deg=-5.22!) USER MOD Single : A 84 SER OG : rot -49:sc= 0.739 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 30:sc= -0.568 USER MOD Single : A 100 ASN : amide:sc= -0.0465 K(o=-0.046,f=-1.6) USER MOD Single : A 102 TYR OH : rot -157:sc= 0.47 USER MOD Single : A 105 HIS :FLIP no HE2:sc= -0.0455 F(o=-0.77,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.467 12.476 1.577 1.00 0.00 N ATOM 664 CA LEU A 47 13.955 13.844 1.714 1.00 0.00 C ATOM 665 C LEU A 47 14.561 14.340 0.405 1.00 0.00 C ATOM 666 O LEU A 47 14.300 15.464 -0.023 1.00 0.00 O ATOM 667 CB LEU A 47 14.995 13.925 2.833 1.00 0.00 C ATOM 668 CG LEU A 47 14.450 14.179 4.239 1.00 0.00 C ATOM 669 CD1 LEU A 47 15.480 13.792 5.289 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.045 15.637 4.399 1.00 0.00 C ATOM 0 HA LEU A 47 13.108 14.482 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.558 12.992 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.700 14.720 2.589 1.00 0.00 H new ATOM 0 HG LEU A 47 13.565 13.559 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.074 13.980 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.721 12.734 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.384 14.385 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.660 15.799 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.913 16.276 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.272 15.882 3.671 1.00 0.00 H new ATOM 682 N GLU A 48 15.368 13.493 -0.226 1.00 0.00 N ATOM 683 CA GLU A 48 16.009 13.846 -1.488 1.00 0.00 C ATOM 684 C GLU A 48 15.013 14.506 -2.438 1.00 0.00 C ATOM 685 O GLU A 48 15.309 15.530 -3.053 1.00 0.00 O ATOM 686 CB GLU A 48 16.611 12.603 -2.145 1.00 0.00 C ATOM 687 CG GLU A 48 17.324 12.891 -3.455 1.00 0.00 C ATOM 688 CD GLU A 48 18.082 11.689 -3.984 1.00 0.00 C ATOM 689 OE1 GLU A 48 17.441 10.646 -4.231 1.00 0.00 O ATOM 690 OE2 GLU A 48 19.315 11.791 -4.152 1.00 0.00 O ATOM 0 H GLU A 48 15.593 12.559 0.115 1.00 0.00 H new ATOM 0 HA GLU A 48 16.807 14.557 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.314 12.141 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.818 11.877 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.594 13.211 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.018 13.719 -3.312 1.00 0.00 H new ATOM 697 N LYS A 49 13.831 13.910 -2.552 1.00 0.00 N ATOM 698 CA LYS A 49 12.789 14.438 -3.426 1.00 0.00 C ATOM 699 C LYS A 49 12.263 15.771 -2.902 1.00 0.00 C ATOM 700 O LYS A 49 12.289 16.779 -3.607 1.00 0.00 O ATOM 701 CB LYS A 49 11.640 13.435 -3.546 1.00 0.00 C ATOM 702 CG LYS A 49 10.771 13.651 -4.774 1.00 0.00 C ATOM 703 CD LYS A 49 10.051 12.375 -5.178 1.00 0.00 C ATOM 704 CE LYS A 49 8.765 12.676 -5.933 1.00 0.00 C ATOM 705 NZ LYS A 49 7.958 11.447 -6.165 1.00 0.00 N ATOM 0 H LYS A 49 13.570 13.061 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 49 13.224 14.602 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.051 12.426 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.017 13.500 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.040 14.434 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.389 13.999 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.707 11.768 -5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.823 11.787 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.174 13.398 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.006 13.139 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.090 11.694 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.513 10.768 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.707 11.019 -5.251 1.00 0.00 H new ATOM 719 N ALA A 50 11.787 15.767 -1.661 1.00 0.00 N ATOM 720 CA ALA A 50 11.258 16.976 -1.042 1.00 0.00 C ATOM 721 C ALA A 50 12.108 18.191 -1.398 1.00 0.00 C ATOM 722 O ALA A 50 11.583 19.244 -1.759 1.00 0.00 O ATOM 723 CB ALA A 50 11.183 16.806 0.468 1.00 0.00 C ATOM 0 H ALA A 50 11.757 14.940 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 50 10.252 17.143 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.786 17.716 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.529 15.968 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.180 16.612 0.862 1.00 0.00 H new ATOM 729 N ALA A 51 13.424 18.039 -1.292 1.00 0.00 N ATOM 730 CA ALA A 51 14.346 19.124 -1.604 1.00 0.00 C ATOM 731 C ALA A 51 14.152 19.615 -3.034 1.00 0.00 C ATOM 732 O ALA A 51 13.919 20.801 -3.268 1.00 0.00 O ATOM 733 CB ALA A 51 15.784 18.673 -1.389 1.00 0.00 C ATOM 0 H ALA A 51 13.876 17.175 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 51 14.132 19.954 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.462 19.493 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 51 15.921 18.378 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.000 17.825 -2.038 1.00 0.00 H new ATOM 739 N VAL A 52 14.252 18.696 -3.990 1.00 0.00 N ATOM 740 CA VAL A 52 14.086 19.036 -5.398 1.00 0.00 C ATOM 741 C VAL A 52 12.792 19.809 -5.629 1.00 0.00 C ATOM 742 O VAL A 52 12.806 20.924 -6.151 1.00 0.00 O ATOM 743 CB VAL A 52 14.084 17.776 -6.283 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.899 18.151 -7.746 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.368 16.984 -6.086 1.00 0.00 C ATOM 0 H VAL A 52 14.447 17.710 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 52 14.934 19.663 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 52 13.246 17.146 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.900 17.248 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.950 18.672 -7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.714 18.802 -8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.349 16.097 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.223 17.604 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.453 16.683 -5.042 1.00 0.00 H new ATOM 755 N LYS A 53 11.674 19.209 -5.235 1.00 0.00 N ATOM 756 CA LYS A 53 10.370 19.840 -5.397 1.00 0.00 C ATOM 757 C LYS A 53 10.328 21.192 -4.692 1.00 0.00 C ATOM 758 O LYS A 53 9.844 22.179 -5.247 1.00 0.00 O ATOM 759 CB LYS A 53 9.269 18.932 -4.845 1.00 0.00 C ATOM 760 CG LYS A 53 8.735 17.937 -5.861 1.00 0.00 C ATOM 761 CD LYS A 53 7.936 18.629 -6.953 1.00 0.00 C ATOM 762 CE LYS A 53 7.023 17.654 -7.679 1.00 0.00 C ATOM 763 NZ LYS A 53 5.833 17.293 -6.860 1.00 0.00 N ATOM 0 H LYS A 53 11.645 18.286 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 53 10.202 20.000 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.657 18.387 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.446 19.550 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.566 17.390 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.105 17.204 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.340 19.431 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.618 19.091 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.696 18.095 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.580 16.751 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.455 16.379 -7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.109 17.221 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.103 18.026 -6.966 1.00 0.00 H new ATOM 777 N LYS A 54 10.841 21.232 -3.467 1.00 0.00 N ATOM 778 CA LYS A 54 10.866 22.463 -2.687 1.00 0.00 C ATOM 779 C LYS A 54 11.434 23.616 -3.508 1.00 0.00 C ATOM 780 O LYS A 54 10.829 24.684 -3.596 1.00 0.00 O ATOM 781 CB LYS A 54 11.697 22.270 -1.416 1.00 0.00 C ATOM 782 CG LYS A 54 10.886 21.782 -0.228 1.00 0.00 C ATOM 783 CD LYS A 54 11.475 22.267 1.086 1.00 0.00 C ATOM 784 CE LYS A 54 12.601 21.362 1.560 1.00 0.00 C ATOM 785 NZ LYS A 54 13.919 21.780 1.007 1.00 0.00 N ATOM 0 H LYS A 54 11.246 20.425 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 54 9.841 22.708 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.495 21.556 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.174 23.215 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.858 22.133 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.852 20.693 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.850 23.283 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.693 22.304 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.643 21.375 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.391 20.335 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.636 21.064 1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.848 21.874 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.195 22.694 1.420 1.00 0.00 H new ATOM 799 N MET A 55 12.599 23.392 -4.107 1.00 0.00 N ATOM 800 CA MET A 55 13.247 24.413 -4.923 1.00 0.00 C ATOM 801 C MET A 55 12.319 24.888 -6.037 1.00 0.00 C ATOM 802 O MET A 55 12.186 26.087 -6.277 1.00 0.00 O ATOM 803 CB MET A 55 14.545 23.868 -5.522 1.00 0.00 C ATOM 804 CG MET A 55 15.556 23.424 -4.478 1.00 0.00 C ATOM 805 SD MET A 55 16.670 24.752 -3.980 1.00 0.00 S ATOM 806 CE MET A 55 18.162 24.289 -4.856 1.00 0.00 C ATOM 0 H MET A 55 13.113 22.514 -4.043 1.00 0.00 H new ATOM 0 HA MET A 55 13.480 25.263 -4.281 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.310 23.024 -6.170 1.00 0.00 H new ATOM 0 HB3 MET A 55 14.997 24.636 -6.150 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.027 23.051 -3.601 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.141 22.594 -4.874 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.025 24.433 -4.206 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.101 23.241 -5.151 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.270 24.911 -5.745 1.00 0.00 H new ATOM 816 N ALA A 56 11.681 23.939 -6.714 1.00 0.00 N ATOM 817 CA ALA A 56 10.764 24.261 -7.801 1.00 0.00 C ATOM 818 C ALA A 56 9.752 25.317 -7.371 1.00 0.00 C ATOM 819 O ALA A 56 9.555 26.320 -8.057 1.00 0.00 O ATOM 820 CB ALA A 56 10.050 23.006 -8.279 1.00 0.00 C ATOM 0 H ALA A 56 11.782 22.941 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 56 11.347 24.670 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.369 23.262 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.784 22.283 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.485 22.572 -7.454 1.00 0.00 H new ATOM 826 N LYS A 57 9.110 25.084 -6.231 1.00 0.00 N ATOM 827 CA LYS A 57 8.117 26.015 -5.707 1.00 0.00 C ATOM 828 C LYS A 57 8.659 27.441 -5.698 1.00 0.00 C ATOM 829 O LYS A 57 8.012 28.364 -6.192 1.00 0.00 O ATOM 830 CB LYS A 57 7.702 25.607 -4.292 1.00 0.00 C ATOM 831 CG LYS A 57 7.072 24.227 -4.217 1.00 0.00 C ATOM 832 CD LYS A 57 7.107 23.674 -2.802 1.00 0.00 C ATOM 833 CE LYS A 57 6.022 24.293 -1.934 1.00 0.00 C ATOM 834 NZ LYS A 57 5.639 23.400 -0.805 1.00 0.00 N ATOM 0 H LYS A 57 9.260 24.258 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 57 7.244 25.981 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.578 25.633 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.996 26.341 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.040 24.278 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.600 23.548 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.979 22.592 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.084 23.868 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.372 25.247 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.144 24.503 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.897 23.857 -0.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.281 22.499 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.471 23.220 -0.208 1.00 0.00 H new ATOM 848 N ALA A 58 9.851 27.613 -5.135 1.00 0.00 N ATOM 849 CA ALA A 58 10.481 28.925 -5.066 1.00 0.00 C ATOM 850 C ALA A 58 10.658 29.523 -6.457 1.00 0.00 C ATOM 851 O ALA A 58 10.516 30.732 -6.646 1.00 0.00 O ATOM 852 CB ALA A 58 11.823 28.829 -4.356 1.00 0.00 C ATOM 0 H ALA A 58 10.399 26.860 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 58 9.827 29.585 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.283 29.816 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.673 28.453 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.476 28.149 -4.903 1.00 0.00 H new ATOM 858 N ILE A 59 10.970 28.671 -7.428 1.00 0.00 N ATOM 859 CA ILE A 59 11.166 29.116 -8.802 1.00 0.00 C ATOM 860 C ILE A 59 9.857 29.598 -9.415 1.00 0.00 C ATOM 861 O ILE A 59 9.809 30.650 -10.053 1.00 0.00 O ATOM 862 CB ILE A 59 11.749 27.993 -9.680 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.087 27.514 -9.113 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.916 28.474 -11.113 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.673 26.336 -9.860 1.00 0.00 C ATOM 0 H ILE A 59 11.092 27.668 -7.288 1.00 0.00 H new ATOM 0 HA ILE A 59 11.875 29.943 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 59 11.054 27.153 -9.678 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.799 28.339 -9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 59 12.952 27.240 -8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.329 27.669 -11.721 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.946 28.770 -11.513 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.593 29.328 -11.134 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.621 26.050 -9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.980 25.495 -9.815 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.841 26.612 -10.901 1.00 0.00 H new ATOM 877 N MET A 60 8.795 28.824 -9.216 1.00 0.00 N ATOM 878 CA MET A 60 7.483 29.174 -9.748 1.00 0.00 C ATOM 879 C MET A 60 7.204 30.663 -9.568 1.00 0.00 C ATOM 880 O MET A 60 6.780 31.341 -10.503 1.00 0.00 O ATOM 881 CB MET A 60 6.394 28.352 -9.057 1.00 0.00 C ATOM 882 CG MET A 60 6.634 26.852 -9.117 1.00 0.00 C ATOM 883 SD MET A 60 5.151 25.895 -8.748 1.00 0.00 S ATOM 884 CE MET A 60 5.192 24.685 -10.067 1.00 0.00 C ATOM 0 H MET A 60 8.817 27.950 -8.690 1.00 0.00 H new ATOM 0 HA MET A 60 7.478 28.947 -10.814 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.326 28.659 -8.013 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.433 28.577 -9.519 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.996 26.585 -10.110 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.419 26.585 -8.410 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.591 23.820 -9.786 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.789 25.126 -10.978 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.221 24.371 -10.241 1.00 0.00 H new ATOM 894 N ALA A 61 7.444 31.164 -8.361 1.00 0.00 N ATOM 895 CA ALA A 61 7.219 32.572 -8.060 1.00 0.00 C ATOM 896 C ALA A 61 8.395 33.426 -8.522 1.00 0.00 C ATOM 897 O ALA A 61 8.214 34.424 -9.221 1.00 0.00 O ATOM 898 CB ALA A 61 6.980 32.762 -6.570 1.00 0.00 C ATOM 0 H ALA A 61 7.794 30.615 -7.576 1.00 0.00 H new ATOM 0 HA ALA A 61 6.331 32.897 -8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.813 33.819 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.104 32.189 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.851 32.415 -6.015 1.00 0.00 H new ATOM 904 N ASP A 62 9.600 33.030 -8.127 1.00 0.00 N ATOM 905 CA ASP A 62 10.806 33.759 -8.501 1.00 0.00 C ATOM 906 C ASP A 62 11.541 33.049 -9.634 1.00 0.00 C ATOM 907 O ASP A 62 12.181 32.016 -9.440 1.00 0.00 O ATOM 908 CB ASP A 62 11.731 33.910 -7.292 1.00 0.00 C ATOM 909 CG ASP A 62 11.269 34.997 -6.342 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.063 35.324 -6.355 1.00 0.00 O ATOM 911 OD2 ASP A 62 12.112 35.521 -5.584 1.00 0.00 O ATOM 0 H ASP A 62 9.768 32.208 -7.547 1.00 0.00 H new ATOM 0 HA ASP A 62 10.510 34.749 -8.849 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.783 32.962 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.740 34.137 -7.636 1.00 0.00 H new ATOM 916 N PRO A 63 11.447 33.615 -10.846 1.00 0.00 N ATOM 917 CA PRO A 63 12.096 33.053 -12.034 1.00 0.00 C ATOM 918 C PRO A 63 13.614 33.185 -11.983 1.00 0.00 C ATOM 919 O PRO A 63 14.339 32.273 -12.377 1.00 0.00 O ATOM 920 CB PRO A 63 11.525 33.892 -13.181 1.00 0.00 C ATOM 921 CG PRO A 63 11.140 35.185 -12.548 1.00 0.00 C ATOM 922 CD PRO A 63 10.700 34.847 -11.150 1.00 0.00 C ATOM 0 HA PRO A 63 11.907 31.984 -12.134 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.264 34.041 -13.969 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.665 33.404 -13.639 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.981 35.879 -12.536 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.336 35.668 -13.104 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.940 35.646 -10.449 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.623 34.688 -11.095 1.00 0.00 H new ATOM 930 N ASN A 64 14.088 34.325 -11.493 1.00 0.00 N ATOM 931 CA ASN A 64 15.521 34.576 -11.389 1.00 0.00 C ATOM 932 C ASN A 64 16.226 33.420 -10.686 1.00 0.00 C ATOM 933 O ASN A 64 17.336 33.037 -11.057 1.00 0.00 O ATOM 934 CB ASN A 64 15.779 35.881 -10.634 1.00 0.00 C ATOM 935 CG ASN A 64 15.671 37.099 -11.531 1.00 0.00 C ATOM 936 OD1 ASN A 64 16.010 37.045 -12.713 1.00 0.00 O ATOM 937 ND2 ASN A 64 15.199 38.207 -10.971 1.00 0.00 N ATOM 0 H ASN A 64 13.501 35.090 -11.161 1.00 0.00 H new ATOM 0 HA ASN A 64 15.923 34.664 -12.398 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.065 35.971 -9.816 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.773 35.849 -10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.106 39.058 -11.525 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.930 38.206 -9.987 1.00 0.00 H new ATOM 944 N LYS A 65 15.574 32.869 -9.668 1.00 0.00 N ATOM 945 CA LYS A 65 16.136 31.756 -8.912 1.00 0.00 C ATOM 946 C LYS A 65 16.387 30.555 -9.818 1.00 0.00 C ATOM 947 O LYS A 65 17.364 29.827 -9.643 1.00 0.00 O ATOM 948 CB LYS A 65 15.194 31.360 -7.772 1.00 0.00 C ATOM 949 CG LYS A 65 14.746 32.533 -6.918 1.00 0.00 C ATOM 950 CD LYS A 65 15.691 32.767 -5.752 1.00 0.00 C ATOM 951 CE LYS A 65 16.804 33.736 -6.122 1.00 0.00 C ATOM 952 NZ LYS A 65 17.994 33.577 -5.240 1.00 0.00 N ATOM 0 H LYS A 65 14.655 33.175 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 65 17.089 32.078 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.315 30.870 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.693 30.629 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.694 33.432 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.741 32.346 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.132 33.160 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.124 31.818 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.097 33.574 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.434 34.759 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.730 34.255 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.721 33.756 -4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.363 32.609 -5.326 1.00 0.00 H new ATOM 966 N ALA A 66 15.500 30.354 -10.787 1.00 0.00 N ATOM 967 CA ALA A 66 15.629 29.244 -11.723 1.00 0.00 C ATOM 968 C ALA A 66 17.084 29.032 -12.127 1.00 0.00 C ATOM 969 O ALA A 66 17.640 27.951 -11.934 1.00 0.00 O ATOM 970 CB ALA A 66 14.767 29.488 -12.953 1.00 0.00 C ATOM 0 H ALA A 66 14.684 30.946 -10.944 1.00 0.00 H new ATOM 0 HA ALA A 66 15.283 28.339 -11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.873 28.651 -13.643 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.723 29.581 -12.653 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.086 30.407 -13.445 1.00 0.00 H new ATOM 976 N ASP A 67 17.693 30.070 -12.689 1.00 0.00 N ATOM 977 CA ASP A 67 19.084 29.998 -13.121 1.00 0.00 C ATOM 978 C ASP A 67 19.955 29.360 -12.043 1.00 0.00 C ATOM 979 O ASP A 67 20.686 28.406 -12.307 1.00 0.00 O ATOM 980 CB ASP A 67 19.609 31.394 -13.458 1.00 0.00 C ATOM 981 CG ASP A 67 18.575 32.246 -14.167 1.00 0.00 C ATOM 982 OD1 ASP A 67 18.017 31.780 -15.183 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.322 33.378 -13.705 1.00 0.00 O ATOM 0 H ASP A 67 17.246 30.971 -12.856 1.00 0.00 H new ATOM 0 HA ASP A 67 19.129 29.376 -14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.920 31.893 -12.540 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.494 31.304 -14.087 1.00 0.00 H new ATOM 988 N GLU A 68 19.872 29.895 -10.829 1.00 0.00 N ATOM 989 CA GLU A 68 20.655 29.379 -9.712 1.00 0.00 C ATOM 990 C GLU A 68 20.323 27.913 -9.447 1.00 0.00 C ATOM 991 O GLU A 68 21.184 27.040 -9.556 1.00 0.00 O ATOM 992 CB GLU A 68 20.396 30.208 -8.452 1.00 0.00 C ATOM 993 CG GLU A 68 20.797 31.667 -8.590 1.00 0.00 C ATOM 994 CD GLU A 68 22.300 31.864 -8.550 1.00 0.00 C ATOM 995 OE1 GLU A 68 23.022 31.057 -9.171 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.754 32.827 -7.897 1.00 0.00 O ATOM 0 H GLU A 68 19.271 30.685 -10.594 1.00 0.00 H new ATOM 0 HA GLU A 68 21.710 29.453 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.336 30.153 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.943 29.767 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.407 32.060 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.337 32.244 -7.788 1.00 0.00 H new ATOM 1003 N VAL A 69 19.068 27.650 -9.097 1.00 0.00 N ATOM 1004 CA VAL A 69 18.621 26.291 -8.816 1.00 0.00 C ATOM 1005 C VAL A 69 19.182 25.307 -9.835 1.00 0.00 C ATOM 1006 O VAL A 69 19.843 24.333 -9.474 1.00 0.00 O ATOM 1007 CB VAL A 69 17.084 26.194 -8.818 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.638 24.764 -8.554 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.489 27.145 -7.790 1.00 0.00 C ATOM 0 H VAL A 69 18.343 28.361 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 69 18.993 26.034 -7.824 1.00 0.00 H new ATOM 0 HB VAL A 69 16.721 26.486 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.549 24.716 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.034 24.110 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.011 24.440 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.402 27.063 -7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.859 26.886 -6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.779 28.168 -8.030 1.00 0.00 H new ATOM 1019 N TYR A 70 18.915 25.567 -11.110 1.00 0.00 N ATOM 1020 CA TYR A 70 19.393 24.702 -12.183 1.00 0.00 C ATOM 1021 C TYR A 70 20.857 24.330 -11.972 1.00 0.00 C ATOM 1022 O TYR A 70 21.210 23.151 -11.924 1.00 0.00 O ATOM 1023 CB TYR A 70 19.220 25.392 -13.537 1.00 0.00 C ATOM 1024 CG TYR A 70 17.776 25.625 -13.918 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.823 24.627 -13.753 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.364 26.843 -14.445 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.503 24.836 -14.100 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.045 27.061 -14.793 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.118 26.054 -14.620 1.00 0.00 C ATOM 1030 OH TYR A 70 13.804 26.267 -14.967 1.00 0.00 O ATOM 0 H TYR A 70 18.370 26.369 -11.426 1.00 0.00 H new ATOM 0 HA TYR A 70 18.800 23.788 -12.170 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.741 26.349 -13.516 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.697 24.786 -14.308 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.120 23.672 -13.346 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.087 27.633 -14.585 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.775 24.049 -13.965 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.741 28.015 -15.198 1.00 0.00 H new ATOM 0 HH TYR A 70 13.350 25.405 -15.075 1.00 0.00 H new ATOM 1040 N LYS A 71 21.706 25.344 -11.845 1.00 0.00 N ATOM 1041 CA LYS A 71 23.133 25.126 -11.637 1.00 0.00 C ATOM 1042 C LYS A 71 23.379 24.299 -10.379 1.00 0.00 C ATOM 1043 O LYS A 71 24.183 23.366 -10.385 1.00 0.00 O ATOM 1044 CB LYS A 71 23.864 26.467 -11.529 1.00 0.00 C ATOM 1045 CG LYS A 71 24.238 27.065 -12.874 1.00 0.00 C ATOM 1046 CD LYS A 71 24.829 28.456 -12.721 1.00 0.00 C ATOM 1047 CE LYS A 71 26.336 28.403 -12.525 1.00 0.00 C ATOM 1048 NZ LYS A 71 27.048 28.061 -13.787 1.00 0.00 N ATOM 0 H LYS A 71 21.431 26.325 -11.882 1.00 0.00 H new ATOM 0 HA LYS A 71 23.520 24.576 -12.494 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.233 27.173 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.769 26.331 -10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.957 26.416 -13.374 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.354 27.112 -13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.597 29.050 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.368 28.957 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 71 26.689 29.367 -12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 71 26.577 27.664 -11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 28.057 28.295 -13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 26.946 27.044 -13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 26.640 28.604 -14.574 1.00 0.00 H new ATOM 1062 N LYS A 72 22.682 24.645 -9.303 1.00 0.00 N ATOM 1063 CA LYS A 72 22.822 23.933 -8.038 1.00 0.00 C ATOM 1064 C LYS A 72 22.621 22.433 -8.233 1.00 0.00 C ATOM 1065 O LYS A 72 23.478 21.630 -7.864 1.00 0.00 O ATOM 1066 CB LYS A 72 21.815 24.464 -7.015 1.00 0.00 C ATOM 1067 CG LYS A 72 22.171 25.836 -6.468 1.00 0.00 C ATOM 1068 CD LYS A 72 20.940 26.573 -5.968 1.00 0.00 C ATOM 1069 CE LYS A 72 21.305 27.636 -4.943 1.00 0.00 C ATOM 1070 NZ LYS A 72 21.559 27.046 -3.599 1.00 0.00 N ATOM 0 H LYS A 72 22.013 25.415 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 72 23.832 24.102 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.829 24.511 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.745 23.759 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.888 25.729 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.657 26.424 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.426 27.038 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.244 25.861 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.192 28.174 -5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.498 28.365 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.805 27.802 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.704 26.554 -3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 22.346 26.369 -3.660 1.00 0.00 H new ATOM 1084 N TRP A 73 21.486 22.064 -8.815 1.00 0.00 N ATOM 1085 CA TRP A 73 21.175 20.660 -9.060 1.00 0.00 C ATOM 1086 C TRP A 73 22.349 19.950 -9.725 1.00 0.00 C ATOM 1087 O TRP A 73 22.924 19.021 -9.159 1.00 0.00 O ATOM 1088 CB TRP A 73 19.927 20.539 -9.937 1.00 0.00 C ATOM 1089 CG TRP A 73 18.654 20.831 -9.202 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.374 20.536 -7.898 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.488 21.474 -9.729 1.00 0.00 C ATOM 1092 NE1 TRP A 73 17.105 20.957 -7.583 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.541 21.536 -8.688 1.00 0.00 C ATOM 1094 CE3 TRP A 73 17.154 22.005 -10.977 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.282 22.107 -8.861 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.904 22.571 -11.147 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.981 22.619 -10.094 1.00 0.00 C ATOM 0 H TRP A 73 20.766 22.716 -9.126 1.00 0.00 H new ATOM 0 HA TRP A 73 20.984 20.183 -8.099 1.00 0.00 H new ATOM 0 HB2 TRP A 73 20.017 21.224 -10.780 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.877 19.531 -10.349 1.00 0.00 H new ATOM 0 HD1 TRP A 73 19.051 20.044 -7.215 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.656 20.855 -6.673 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.859 21.974 -11.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.569 22.144 -8.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.634 22.983 -12.108 1.00 0.00 H new ATOM 0 HH2 TRP A 73 14.013 23.069 -10.259 1.00 0.00 H new ATOM 1108 N ALA A 74 22.699 20.393 -10.927 1.00 0.00 N ATOM 1109 CA ALA A 74 23.807 19.801 -11.667 1.00 0.00 C ATOM 1110 C ALA A 74 24.940 19.398 -10.730 1.00 0.00 C ATOM 1111 O ALA A 74 25.609 18.387 -10.948 1.00 0.00 O ATOM 1112 CB ALA A 74 24.313 20.770 -12.725 1.00 0.00 C ATOM 0 H ALA A 74 22.231 21.160 -11.410 1.00 0.00 H new ATOM 0 HA ALA A 74 23.442 18.900 -12.161 1.00 0.00 H new ATOM 0 HB1 ALA A 74 25.140 20.315 -13.270 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.506 21.004 -13.420 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.656 21.687 -12.245 1.00 0.00 H new ATOM 1118 N ASP A 75 25.151 20.194 -9.688 1.00 0.00 N ATOM 1119 CA ASP A 75 26.203 19.920 -8.716 1.00 0.00 C ATOM 1120 C ASP A 75 25.883 18.668 -7.907 1.00 0.00 C ATOM 1121 O ASP A 75 26.742 17.809 -7.704 1.00 0.00 O ATOM 1122 CB ASP A 75 26.386 21.115 -7.780 1.00 0.00 C ATOM 1123 CG ASP A 75 27.719 21.086 -7.057 1.00 0.00 C ATOM 1124 OD1 ASP A 75 27.807 20.425 -6.002 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.674 21.725 -7.547 1.00 0.00 O ATOM 0 H ASP A 75 24.607 21.035 -9.494 1.00 0.00 H new ATOM 0 HA ASP A 75 27.132 19.750 -9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.308 22.038 -8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.579 21.126 -7.048 1.00 0.00 H new ATOM 1130 N LYS A 76 24.641 18.570 -7.445 1.00 0.00 N ATOM 1131 CA LYS A 76 24.205 17.423 -6.657 1.00 0.00 C ATOM 1132 C LYS A 76 24.339 16.131 -7.457 1.00 0.00 C ATOM 1133 O LYS A 76 24.670 15.081 -6.908 1.00 0.00 O ATOM 1134 CB LYS A 76 22.755 17.609 -6.206 1.00 0.00 C ATOM 1135 CG LYS A 76 22.620 18.288 -4.854 1.00 0.00 C ATOM 1136 CD LYS A 76 22.479 19.794 -4.998 1.00 0.00 C ATOM 1137 CE LYS A 76 21.020 20.212 -5.089 1.00 0.00 C ATOM 1138 NZ LYS A 76 20.794 21.568 -4.517 1.00 0.00 N ATOM 0 H LYS A 76 23.918 19.272 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 76 24.846 17.353 -5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.224 18.198 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.269 16.634 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.751 17.889 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 76 23.493 18.060 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.947 20.287 -4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.010 20.126 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.704 20.201 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.401 19.487 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.033 22.044 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.522 21.482 -3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.668 22.126 -4.592 1.00 0.00 H new ATOM 1152 N GLY A 77 24.080 16.216 -8.758 1.00 0.00 N ATOM 1153 CA GLY A 77 24.178 15.047 -9.612 1.00 0.00 C ATOM 1154 C GLY A 77 22.823 14.564 -10.091 1.00 0.00 C ATOM 1155 O GLY A 77 22.473 13.397 -9.912 1.00 0.00 O ATOM 0 H GLY A 77 23.804 17.074 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.802 15.282 -10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.675 14.244 -9.068 1.00 0.00 H new ATOM 1159 N TYR A 78 22.059 15.463 -10.701 1.00 0.00 N ATOM 1160 CA TYR A 78 20.733 15.123 -11.204 1.00 0.00 C ATOM 1161 C TYR A 78 20.705 15.153 -12.730 1.00 0.00 C ATOM 1162 O TYR A 78 21.530 15.809 -13.366 1.00 0.00 O ATOM 1163 CB TYR A 78 19.689 16.090 -10.644 1.00 0.00 C ATOM 1164 CG TYR A 78 19.564 16.041 -9.138 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.394 14.833 -8.475 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.616 17.204 -8.379 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.279 14.783 -7.099 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.504 17.164 -7.003 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.335 15.951 -6.367 1.00 0.00 C ATOM 1170 OH TYR A 78 19.222 15.908 -4.997 1.00 0.00 O ATOM 0 H TYR A 78 22.335 16.432 -10.859 1.00 0.00 H new ATOM 0 HA TYR A 78 20.495 14.112 -10.874 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.947 17.105 -10.946 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.720 15.862 -11.088 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.351 13.917 -9.045 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.746 18.155 -8.874 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.146 13.835 -6.599 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.548 18.077 -6.428 1.00 0.00 H new ATOM 0 HH TYR A 78 19.283 16.817 -4.635 1.00 0.00 H new ATOM 1180 N THR A 79 19.746 14.438 -13.311 1.00 0.00 N ATOM 1181 CA THR A 79 19.609 14.382 -14.761 1.00 0.00 C ATOM 1182 C THR A 79 18.150 14.210 -15.169 1.00 0.00 C ATOM 1183 O THR A 79 17.328 13.731 -14.386 1.00 0.00 O ATOM 1184 CB THR A 79 20.436 13.228 -15.359 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.407 13.295 -16.790 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.899 11.882 -14.899 1.00 0.00 C ATOM 0 H THR A 79 19.054 13.890 -12.800 1.00 0.00 H new ATOM 0 HA THR A 79 19.984 15.328 -15.151 1.00 0.00 H new ATOM 0 HB THR A 79 21.464 13.329 -15.011 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.936 12.559 -17.163 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.499 11.083 -15.334 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.949 11.823 -13.812 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.863 11.774 -15.221 1.00 0.00 H new ATOM 1194 N LEU A 80 17.833 14.602 -16.398 1.00 0.00 N ATOM 1195 CA LEU A 80 16.472 14.491 -16.910 1.00 0.00 C ATOM 1196 C LEU A 80 15.782 13.248 -16.357 1.00 0.00 C ATOM 1197 O LEU A 80 14.615 13.294 -15.968 1.00 0.00 O ATOM 1198 CB LEU A 80 16.484 14.444 -18.439 1.00 0.00 C ATOM 1199 CG LEU A 80 17.179 15.611 -19.141 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.310 15.336 -20.631 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.418 16.907 -18.901 1.00 0.00 C ATOM 0 H LEU A 80 18.501 15.000 -17.059 1.00 0.00 H new ATOM 0 HA LEU A 80 15.914 15.369 -16.584 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.968 13.518 -18.750 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.453 14.398 -18.789 1.00 0.00 H new ATOM 0 HG LEU A 80 18.180 15.718 -18.723 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.807 16.177 -21.114 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.898 14.431 -20.784 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.319 15.202 -21.065 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.927 17.727 -19.408 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.405 16.812 -19.292 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.376 17.112 -17.831 1.00 0.00 H new ATOM 1213 N THR A 81 16.513 12.138 -16.323 1.00 0.00 N ATOM 1214 CA THR A 81 15.972 10.883 -15.816 1.00 0.00 C ATOM 1215 C THR A 81 15.595 11.001 -14.344 1.00 0.00 C ATOM 1216 O THR A 81 14.445 10.774 -13.969 1.00 0.00 O ATOM 1217 CB THR A 81 16.978 9.729 -15.986 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.323 9.579 -17.368 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.399 8.424 -15.459 1.00 0.00 C ATOM 0 H THR A 81 17.481 12.083 -16.640 1.00 0.00 H new ATOM 0 HA THR A 81 15.078 10.665 -16.400 1.00 0.00 H new ATOM 0 HB THR A 81 17.873 9.970 -15.412 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.964 8.845 -17.467 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.127 7.624 -15.590 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.164 8.532 -14.400 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.490 8.181 -16.009 1.00 0.00 H new ATOM 1227 N GLN A 82 16.571 11.357 -13.515 1.00 0.00 N ATOM 1228 CA GLN A 82 16.340 11.505 -12.083 1.00 0.00 C ATOM 1229 C GLN A 82 15.502 12.745 -11.792 1.00 0.00 C ATOM 1230 O GLN A 82 14.420 12.653 -11.212 1.00 0.00 O ATOM 1231 CB GLN A 82 17.673 11.589 -11.336 1.00 0.00 C ATOM 1232 CG GLN A 82 18.530 10.342 -11.479 1.00 0.00 C ATOM 1233 CD GLN A 82 19.813 10.420 -10.676 1.00 0.00 C ATOM 1234 OE1 GLN A 82 20.908 10.255 -11.215 1.00 0.00 O ATOM 1235 NE2 GLN A 82 19.686 10.674 -9.379 1.00 0.00 N ATOM 0 H GLN A 82 17.528 11.548 -13.810 1.00 0.00 H new ATOM 0 HA GLN A 82 15.792 10.629 -11.737 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.233 12.449 -11.704 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.477 11.766 -10.278 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.957 9.473 -11.157 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.773 10.191 -12.531 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.759 10.804 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.515 10.739 -8.788 1.00 0.00 H new ATOM 1244 N MET A 83 16.009 13.905 -12.197 1.00 0.00 N ATOM 1245 CA MET A 83 15.305 15.164 -11.980 1.00 0.00 C ATOM 1246 C MET A 83 13.801 14.984 -12.162 1.00 0.00 C ATOM 1247 O MET A 83 13.009 15.422 -11.328 1.00 0.00 O ATOM 1248 CB MET A 83 15.823 16.234 -12.942 1.00 0.00 C ATOM 1249 CG MET A 83 15.151 17.586 -12.765 1.00 0.00 C ATOM 1250 SD MET A 83 15.375 18.262 -11.109 1.00 0.00 S ATOM 1251 CE MET A 83 17.162 18.284 -10.990 1.00 0.00 C ATOM 0 H MET A 83 16.904 13.999 -12.677 1.00 0.00 H new ATOM 0 HA MET A 83 15.493 15.485 -10.956 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.897 16.350 -12.799 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.672 15.894 -13.966 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.554 18.286 -13.497 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.085 17.487 -12.972 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.457 18.276 -9.941 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.571 17.405 -11.489 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.547 19.184 -11.468 1.00 0.00 H new ATOM 1261 N SER A 84 13.415 14.338 -13.258 1.00 0.00 N ATOM 1262 CA SER A 84 12.006 14.105 -13.551 1.00 0.00 C ATOM 1263 C SER A 84 11.355 13.267 -12.455 1.00 0.00 C ATOM 1264 O SER A 84 10.293 13.615 -11.940 1.00 0.00 O ATOM 1265 CB SER A 84 11.853 13.405 -14.902 1.00 0.00 C ATOM 1266 OG SER A 84 12.419 12.106 -14.871 1.00 0.00 O ATOM 0 H SER A 84 14.058 13.967 -13.957 1.00 0.00 H new ATOM 0 HA SER A 84 11.504 15.072 -13.592 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.797 13.339 -15.163 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.337 13.997 -15.679 1.00 0.00 H new ATOM 0 HG SER A 84 13.321 12.151 -14.491 1.00 0.00 H new ATOM 1272 N ASN A 85 12.000 12.159 -12.104 1.00 0.00 N ATOM 1273 CA ASN A 85 11.484 11.270 -11.069 1.00 0.00 C ATOM 1274 C ASN A 85 11.188 12.041 -9.787 1.00 0.00 C ATOM 1275 O ASN A 85 10.317 11.657 -9.006 1.00 0.00 O ATOM 1276 CB ASN A 85 12.487 10.149 -10.784 1.00 0.00 C ATOM 1277 CG ASN A 85 12.508 9.100 -11.879 1.00 0.00 C ATOM 1278 OD1 ASN A 85 11.830 9.236 -12.898 1.00 0.00 O ATOM 1279 ND2 ASN A 85 13.290 8.047 -11.674 1.00 0.00 N ATOM 0 H ASN A 85 12.880 11.855 -12.521 1.00 0.00 H new ATOM 0 HA ASN A 85 10.554 10.833 -11.431 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.484 10.576 -10.675 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.238 9.675 -9.835 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.346 7.309 -12.376 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.835 7.976 -10.814 1.00 0.00 H new ATOM 1286 N PHE A 86 11.919 13.130 -9.576 1.00 0.00 N ATOM 1287 CA PHE A 86 11.735 13.956 -8.388 1.00 0.00 C ATOM 1288 C PHE A 86 10.599 14.954 -8.589 1.00 0.00 C ATOM 1289 O PHE A 86 9.805 15.200 -7.681 1.00 0.00 O ATOM 1290 CB PHE A 86 13.030 14.700 -8.053 1.00 0.00 C ATOM 1291 CG PHE A 86 14.168 13.790 -7.690 1.00 0.00 C ATOM 1292 CD1 PHE A 86 14.023 12.844 -6.688 1.00 0.00 C ATOM 1293 CD2 PHE A 86 15.383 13.880 -8.349 1.00 0.00 C ATOM 1294 CE1 PHE A 86 15.068 12.004 -6.351 1.00 0.00 C ATOM 1295 CE2 PHE A 86 16.431 13.043 -8.017 1.00 0.00 C ATOM 1296 CZ PHE A 86 16.274 12.105 -7.016 1.00 0.00 C ATOM 0 H PHE A 86 12.644 13.461 -10.212 1.00 0.00 H new ATOM 0 HA PHE A 86 11.475 13.300 -7.557 1.00 0.00 H new ATOM 0 HB2 PHE A 86 13.321 15.309 -8.909 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.843 15.383 -7.224 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.082 12.762 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.513 14.613 -9.131 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.941 11.270 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 86 17.372 13.122 -8.540 1.00 0.00 H new ATOM 0 HZ PHE A 86 17.093 11.452 -6.754 1.00 0.00 H new ATOM 1306 N LEU A 87 10.529 15.527 -9.786 1.00 0.00 N ATOM 1307 CA LEU A 87 9.490 16.500 -10.108 1.00 0.00 C ATOM 1308 C LEU A 87 8.322 15.831 -10.826 1.00 0.00 C ATOM 1309 O LEU A 87 7.656 16.447 -11.658 1.00 0.00 O ATOM 1310 CB LEU A 87 10.065 17.619 -10.978 1.00 0.00 C ATOM 1311 CG LEU A 87 11.244 18.391 -10.386 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.873 19.294 -11.436 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.798 19.204 -9.179 1.00 0.00 C ATOM 0 H LEU A 87 11.178 15.335 -10.549 1.00 0.00 H new ATOM 0 HA LEU A 87 9.123 16.926 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.379 17.188 -11.928 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.266 18.328 -11.198 1.00 0.00 H new ATOM 0 HG LEU A 87 11.995 17.672 -10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.710 19.835 -10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.230 18.689 -12.270 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.130 20.006 -11.796 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.651 19.747 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.028 19.913 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.396 18.535 -8.418 1.00 0.00 H new ATOM 1325 N LYS A 88 8.078 14.567 -10.497 1.00 0.00 N ATOM 1326 CA LYS A 88 6.988 13.815 -11.107 1.00 0.00 C ATOM 1327 C LYS A 88 5.671 14.576 -10.993 1.00 0.00 C ATOM 1328 O LYS A 88 4.892 14.352 -10.066 1.00 0.00 O ATOM 1329 CB LYS A 88 6.855 12.442 -10.444 1.00 0.00 C ATOM 1330 CG LYS A 88 6.069 11.440 -11.272 1.00 0.00 C ATOM 1331 CD LYS A 88 6.983 10.615 -12.164 1.00 0.00 C ATOM 1332 CE LYS A 88 7.077 11.205 -13.563 1.00 0.00 C ATOM 1333 NZ LYS A 88 8.404 10.944 -14.186 1.00 0.00 N ATOM 0 H LYS A 88 8.621 14.042 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 88 7.219 13.681 -12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.851 12.042 -10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.369 12.561 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.511 10.778 -10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.339 11.967 -11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.978 10.566 -11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.609 9.593 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.292 10.781 -14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.903 12.280 -13.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.429 11.362 -15.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.152 11.370 -13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.560 9.918 -14.254 1.00 0.00 H new ATOM 1433 N TYR A 95 4.930 21.067 -12.874 1.00 0.00 N ATOM 1434 CA TYR A 95 6.299 21.555 -12.759 1.00 0.00 C ATOM 1435 C TYR A 95 7.023 21.468 -14.099 1.00 0.00 C ATOM 1436 O TYR A 95 8.176 21.040 -14.168 1.00 0.00 O ATOM 1437 CB TYR A 95 7.062 20.755 -11.702 1.00 0.00 C ATOM 1438 CG TYR A 95 6.412 20.782 -10.337 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.601 21.857 -9.477 1.00 0.00 C ATOM 1440 CD2 TYR A 95 5.609 19.732 -9.907 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.009 21.885 -8.229 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.013 19.753 -8.661 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.216 20.831 -7.825 1.00 0.00 C ATOM 1444 OH TYR A 95 4.625 20.855 -6.583 1.00 0.00 O ATOM 0 HA TYR A 95 6.260 22.601 -12.455 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.148 19.720 -12.034 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.075 21.149 -11.621 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.221 22.684 -9.789 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.448 18.885 -10.558 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.166 22.728 -7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.391 18.929 -8.343 1.00 0.00 H new ATOM 0 HH TYR A 95 4.099 20.038 -6.455 1.00 0.00 H new ATOM 1454 N ASP A 96 6.338 21.876 -15.162 1.00 0.00 N ATOM 1455 CA ASP A 96 6.915 21.846 -16.501 1.00 0.00 C ATOM 1456 C ASP A 96 7.862 23.023 -16.711 1.00 0.00 C ATOM 1457 O ASP A 96 8.982 22.854 -17.194 1.00 0.00 O ATOM 1458 CB ASP A 96 5.808 21.870 -17.556 1.00 0.00 C ATOM 1459 CG ASP A 96 6.213 21.165 -18.836 1.00 0.00 C ATOM 1460 OD1 ASP A 96 6.444 19.939 -18.789 1.00 0.00 O ATOM 1461 OD2 ASP A 96 6.300 21.839 -19.884 1.00 0.00 O ATOM 0 H ASP A 96 5.383 22.231 -15.122 1.00 0.00 H new ATOM 0 HA ASP A 96 7.485 20.923 -16.605 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.914 21.396 -17.151 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.547 22.904 -17.781 1.00 0.00 H new ATOM 1466 N ARG A 97 7.404 24.217 -16.346 1.00 0.00 N ATOM 1467 CA ARG A 97 8.210 25.423 -16.497 1.00 0.00 C ATOM 1468 C ARG A 97 9.604 25.222 -15.910 1.00 0.00 C ATOM 1469 O ARG A 97 10.604 25.618 -16.509 1.00 0.00 O ATOM 1470 CB ARG A 97 7.523 26.608 -15.817 1.00 0.00 C ATOM 1471 CG ARG A 97 7.894 27.954 -16.418 1.00 0.00 C ATOM 1472 CD ARG A 97 7.489 29.102 -15.507 1.00 0.00 C ATOM 1473 NE ARG A 97 6.063 29.404 -15.608 1.00 0.00 N ATOM 1474 CZ ARG A 97 5.505 30.495 -15.097 1.00 0.00 C ATOM 1475 NH1 ARG A 97 6.248 31.385 -14.453 1.00 0.00 N ATOM 1476 NH2 ARG A 97 4.201 30.699 -15.230 1.00 0.00 N ATOM 0 H ARG A 97 6.480 24.375 -15.944 1.00 0.00 H new ATOM 0 HA ARG A 97 8.311 25.633 -17.562 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.443 26.476 -15.881 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.782 26.609 -14.758 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.969 27.991 -16.595 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.407 28.068 -17.387 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.734 28.850 -14.475 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.067 29.990 -15.764 1.00 0.00 H new ATOM 0 HE ARG A 97 5.463 28.740 -16.098 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.251 31.232 -14.349 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.816 32.222 -14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.626 30.017 -15.725 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.773 31.537 -14.837 1.00 0.00 H new ATOM 1490 N VAL A 98 9.662 24.606 -14.734 1.00 0.00 N ATOM 1491 CA VAL A 98 10.933 24.353 -14.065 1.00 0.00 C ATOM 1492 C VAL A 98 11.766 23.335 -14.836 1.00 0.00 C ATOM 1493 O VAL A 98 12.913 23.602 -15.196 1.00 0.00 O ATOM 1494 CB VAL A 98 10.719 23.841 -12.628 1.00 0.00 C ATOM 1495 CG1 VAL A 98 12.055 23.589 -11.947 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.882 24.830 -11.830 1.00 0.00 C ATOM 0 H VAL A 98 8.844 24.273 -14.224 1.00 0.00 H new ATOM 0 HA VAL A 98 11.466 25.303 -14.029 1.00 0.00 H new ATOM 0 HB VAL A 98 10.178 22.896 -12.674 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.884 23.228 -10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.615 22.841 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.625 24.517 -11.910 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.740 24.453 -10.817 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.394 25.791 -11.791 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.911 24.955 -12.310 1.00 0.00 H new ATOM 1506 N TYR A 99 11.182 22.169 -15.088 1.00 0.00 N ATOM 1507 CA TYR A 99 11.871 21.110 -15.815 1.00 0.00 C ATOM 1508 C TYR A 99 12.485 21.645 -17.105 1.00 0.00 C ATOM 1509 O TYR A 99 13.686 21.513 -17.335 1.00 0.00 O ATOM 1510 CB TYR A 99 10.904 19.968 -16.133 1.00 0.00 C ATOM 1511 CG TYR A 99 11.573 18.765 -16.758 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.481 17.998 -16.038 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.297 18.394 -18.068 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.095 16.898 -16.604 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.905 17.295 -18.643 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.803 16.550 -17.907 1.00 0.00 C ATOM 1517 OH TYR A 99 13.412 15.455 -18.476 1.00 0.00 O ATOM 0 H TYR A 99 10.233 21.933 -14.799 1.00 0.00 H new ATOM 0 HA TYR A 99 12.673 20.732 -15.181 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.405 19.659 -15.214 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.131 20.335 -16.808 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.711 18.267 -15.018 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.595 18.975 -18.647 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.799 16.314 -16.030 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.679 17.021 -19.663 1.00 0.00 H new ATOM 0 HH TYR A 99 13.611 14.794 -17.781 1.00 0.00 H new ATOM 1527 N ASN A 100 11.650 22.251 -17.943 1.00 0.00 N ATOM 1528 CA ASN A 100 12.109 22.807 -19.211 1.00 0.00 C ATOM 1529 C ASN A 100 13.453 23.510 -19.042 1.00 0.00 C ATOM 1530 O ASN A 100 14.434 23.162 -19.698 1.00 0.00 O ATOM 1531 CB ASN A 100 11.074 23.789 -19.766 1.00 0.00 C ATOM 1532 CG ASN A 100 9.935 23.086 -20.479 1.00 0.00 C ATOM 1533 OD1 ASN A 100 9.895 21.857 -20.547 1.00 0.00 O ATOM 1534 ND2 ASN A 100 9.003 23.865 -21.016 1.00 0.00 N ATOM 0 H ASN A 100 10.652 22.370 -17.767 1.00 0.00 H new ATOM 0 HA ASN A 100 12.235 21.985 -19.915 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.673 24.390 -18.950 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.563 24.476 -20.457 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.213 23.449 -21.509 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.077 24.879 -20.935 1.00 0.00 H new ATOM 1541 N GLY A 101 13.489 24.501 -18.156 1.00 0.00 N ATOM 1542 CA GLY A 101 14.717 25.236 -17.916 1.00 0.00 C ATOM 1543 C GLY A 101 15.909 24.323 -17.711 1.00 0.00 C ATOM 1544 O GLY A 101 16.967 24.528 -18.307 1.00 0.00 O ATOM 0 H GLY A 101 12.690 24.808 -17.601 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.911 25.898 -18.760 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.592 25.868 -17.037 1.00 0.00 H new ATOM 1548 N TYR A 102 15.740 23.312 -16.865 1.00 0.00 N ATOM 1549 CA TYR A 102 16.812 22.367 -16.580 1.00 0.00 C ATOM 1550 C TYR A 102 17.271 21.663 -17.854 1.00 0.00 C ATOM 1551 O TYR A 102 18.466 21.456 -18.067 1.00 0.00 O ATOM 1552 CB TYR A 102 16.349 21.333 -15.552 1.00 0.00 C ATOM 1553 CG TYR A 102 17.485 20.584 -14.892 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.544 21.265 -14.304 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.500 19.195 -14.859 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.584 20.585 -13.701 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.536 18.507 -14.257 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.575 19.206 -13.680 1.00 0.00 C ATOM 1559 OH TYR A 102 20.609 18.523 -13.081 1.00 0.00 O ATOM 0 H TYR A 102 14.870 23.127 -16.365 1.00 0.00 H new ATOM 0 HA TYR A 102 17.654 22.925 -16.171 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.761 21.835 -14.784 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.689 20.617 -16.041 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.554 22.345 -14.319 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.689 18.644 -15.311 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.399 21.130 -13.249 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.532 17.427 -14.238 1.00 0.00 H new ATOM 0 HH TYR A 102 20.660 17.617 -13.450 1.00 0.00 H new ATOM 1569 N VAL A 103 16.312 21.296 -18.698 1.00 0.00 N ATOM 1570 CA VAL A 103 16.615 20.617 -19.952 1.00 0.00 C ATOM 1571 C VAL A 103 17.697 21.357 -20.730 1.00 0.00 C ATOM 1572 O VAL A 103 18.677 20.758 -21.173 1.00 0.00 O ATOM 1573 CB VAL A 103 15.361 20.486 -20.836 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.709 19.823 -22.161 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.276 19.705 -20.110 1.00 0.00 C ATOM 0 H VAL A 103 15.318 21.458 -18.536 1.00 0.00 H new ATOM 0 HA VAL A 103 16.974 19.621 -19.694 1.00 0.00 H new ATOM 0 HB VAL A 103 14.979 21.485 -21.045 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.811 19.739 -22.773 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.450 20.426 -22.686 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.116 18.829 -21.975 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.397 19.622 -20.750 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.645 18.708 -19.869 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.007 20.224 -19.190 1.00 0.00 H new ATOM 1585 N ILE A 104 17.513 22.663 -20.892 1.00 0.00 N ATOM 1586 CA ILE A 104 18.475 23.486 -21.615 1.00 0.00 C ATOM 1587 C ILE A 104 19.831 23.487 -20.918 1.00 0.00 C ATOM 1588 O ILE A 104 20.876 23.510 -21.570 1.00 0.00 O ATOM 1589 CB ILE A 104 17.981 24.938 -21.754 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.637 24.975 -22.484 1.00 0.00 C ATOM 1591 CG2 ILE A 104 19.013 25.780 -22.490 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.884 26.273 -22.298 1.00 0.00 C ATOM 0 H ILE A 104 16.707 23.174 -20.532 1.00 0.00 H new ATOM 0 HA ILE A 104 18.580 23.050 -22.608 1.00 0.00 H new ATOM 0 HB ILE A 104 17.843 25.356 -20.757 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.806 24.812 -23.548 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.018 24.151 -22.130 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.650 26.804 -22.581 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.950 25.775 -21.933 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.179 25.365 -23.484 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.941 26.228 -22.843 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.683 26.428 -21.238 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.484 27.100 -22.679 1.00 0.00 H new ATOM 1604 N HIS A 105 19.808 23.459 -19.589 1.00 0.00 N ATOM 1605 CA HIS A 105 21.037 23.454 -18.803 1.00 0.00 C ATOM 1606 C HIS A 105 21.889 22.234 -19.135 1.00 0.00 C ATOM 1607 O HIS A 105 23.114 22.326 -19.230 1.00 0.00 O ATOM 1608 CB HIS A 105 20.711 23.472 -17.309 1.00 0.00 C ATOM 1609 CG HIS A 105 21.924 23.541 -16.433 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.747 22.566 -15.983 1.00 0.00 N flip ATOM 1611 CD2 HIS A 105 22.411 24.722 -15.914 1.00 0.00 C flip ATOM 1612 CE1 HIS A 105 23.708 23.169 -15.209 1.00 0.00 C flip ATOM 1613 NE2 HIS A 105 23.483 24.471 -15.185 1.00 0.00 N flip ATOM 0 H HIS A 105 18.952 23.439 -19.034 1.00 0.00 H new ATOM 0 HA HIS A 105 21.604 24.350 -19.055 1.00 0.00 H new ATOM 0 HB2 HIS A 105 20.070 24.327 -17.096 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.142 22.576 -17.059 1.00 0.00 H new ATOM 0 HD1 HIS A 105 22.668 21.569 -16.182 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.983 25.700 -16.078 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.516 22.662 -14.703 1.00 0.00 H new ATOM 1622 N LEU A 106 21.235 21.091 -19.311 1.00 0.00 N ATOM 1623 CA LEU A 106 21.933 19.851 -19.632 1.00 0.00 C ATOM 1624 C LEU A 106 22.269 19.784 -21.118 1.00 0.00 C ATOM 1625 O LEU A 106 23.372 19.392 -21.499 1.00 0.00 O ATOM 1626 CB LEU A 106 21.080 18.645 -19.235 1.00 0.00 C ATOM 1627 CG LEU A 106 21.046 18.308 -17.744 1.00 0.00 C ATOM 1628 CD1 LEU A 106 22.450 18.041 -17.225 1.00 0.00 C ATOM 1629 CD2 LEU A 106 20.390 19.434 -16.958 1.00 0.00 C ATOM 0 H LEU A 106 20.222 20.997 -19.237 1.00 0.00 H new ATOM 0 HA LEU A 106 22.865 19.831 -19.067 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.058 18.822 -19.570 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.446 17.772 -19.776 1.00 0.00 H new ATOM 0 HG LEU A 106 20.453 17.404 -17.609 1.00 0.00 H new ATOM 0 HD11 LEU A 106 22.406 17.803 -16.162 1.00 0.00 H new ATOM 0 HD12 LEU A 106 22.885 17.201 -17.767 1.00 0.00 H new ATOM 0 HD13 LEU A 106 23.067 18.927 -17.373 1.00 0.00 H new ATOM 0 HD21 LEU A 106 20.374 19.177 -15.899 1.00 0.00 H new ATOM 0 HD22 LEU A 106 20.956 20.355 -17.100 1.00 0.00 H new ATOM 0 HD23 LEU A 106 19.369 19.578 -17.312 1.00 0.00 H new