USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=14 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 53 LYS NZ :NH3+ 149:sc= -0.238 (180deg=-1.28!) USER MOD Set 1.2: A 95 TYR OH : rot 0:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -0.0185 (180deg=-0.0185) USER MOD Single : A 55 MET CE :methyl 149:sc= -0.0861 (180deg=-0.981) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 174:sc= 0 (180deg=-0.00583) USER MOD Single : A 64 ASN : amide:sc= 0.603 K(o=0.6,f=-2.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -11:sc= 0.0486 USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.612) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.283 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.73) USER MOD Single : A 83 MET CE :methyl 137:sc= -3.83! (180deg=-5.1!) USER MOD Single : A 84 SER OG : rot -87:sc= 0.541 USER MOD Single : A 85 ASN : amide:sc= -0.0937 K(o=-0.094,f=-1.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -1 USER MOD Single : A 100 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.8!) USER MOD Single : A 102 TYR OH : rot 30:sc= -0.103 USER MOD Single : A 105 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.996 12.480 0.983 1.00 0.00 N ATOM 664 CA LEU A 47 14.732 13.739 1.017 1.00 0.00 C ATOM 665 C LEU A 47 14.956 14.277 -0.393 1.00 0.00 C ATOM 666 O LEU A 47 14.513 15.376 -0.726 1.00 0.00 O ATOM 667 CB LEU A 47 16.076 13.548 1.722 1.00 0.00 C ATOM 668 CG LEU A 47 16.051 13.632 3.248 1.00 0.00 C ATOM 669 CD1 LEU A 47 17.249 12.907 3.842 1.00 0.00 C ATOM 670 CD2 LEU A 47 16.025 15.084 3.702 1.00 0.00 C ATOM 0 HA LEU A 47 14.137 14.464 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.477 12.575 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.770 14.301 1.348 1.00 0.00 H new ATOM 0 HG LEU A 47 15.144 13.145 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.214 12.977 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.224 11.858 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 47 18.169 13.365 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 47 16.007 15.124 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.914 15.596 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.135 15.573 3.306 1.00 0.00 H new ATOM 682 N GLU A 48 15.645 13.494 -1.217 1.00 0.00 N ATOM 683 CA GLU A 48 15.926 13.892 -2.592 1.00 0.00 C ATOM 684 C GLU A 48 14.706 14.552 -3.227 1.00 0.00 C ATOM 685 O GLU A 48 14.771 15.692 -3.688 1.00 0.00 O ATOM 686 CB GLU A 48 16.352 12.678 -3.420 1.00 0.00 C ATOM 687 CG GLU A 48 16.911 13.040 -4.786 1.00 0.00 C ATOM 688 CD GLU A 48 17.614 11.875 -5.456 1.00 0.00 C ATOM 689 OE1 GLU A 48 17.353 10.719 -5.061 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.424 12.119 -6.375 1.00 0.00 O ATOM 0 H GLU A 48 16.019 12.581 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 48 16.741 14.615 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.104 12.116 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.494 12.019 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.100 13.387 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.610 13.869 -4.680 1.00 0.00 H new ATOM 697 N LYS A 49 13.592 13.828 -3.248 1.00 0.00 N ATOM 698 CA LYS A 49 12.356 14.341 -3.826 1.00 0.00 C ATOM 699 C LYS A 49 11.912 15.616 -3.116 1.00 0.00 C ATOM 700 O LYS A 49 11.499 16.583 -3.757 1.00 0.00 O ATOM 701 CB LYS A 49 11.251 13.286 -3.739 1.00 0.00 C ATOM 702 CG LYS A 49 10.189 13.426 -4.816 1.00 0.00 C ATOM 703 CD LYS A 49 8.962 12.586 -4.503 1.00 0.00 C ATOM 704 CE LYS A 49 7.861 12.803 -5.529 1.00 0.00 C ATOM 705 NZ LYS A 49 7.079 14.039 -5.250 1.00 0.00 N ATOM 0 H LYS A 49 13.520 12.883 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 49 12.544 14.575 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.700 12.295 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.775 13.351 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.900 14.473 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.603 13.123 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.238 11.532 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.590 12.839 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.300 12.868 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.192 11.943 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.338 14.151 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.639 13.967 -4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.713 14.863 -5.273 1.00 0.00 H new ATOM 719 N ALA A 50 12.002 15.612 -1.790 1.00 0.00 N ATOM 720 CA ALA A 50 11.613 16.770 -0.995 1.00 0.00 C ATOM 721 C ALA A 50 12.369 18.018 -1.436 1.00 0.00 C ATOM 722 O ALA A 50 11.769 18.989 -1.895 1.00 0.00 O ATOM 723 CB ALA A 50 11.854 16.499 0.483 1.00 0.00 C ATOM 0 H ALA A 50 12.341 14.820 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 50 10.549 16.948 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.559 17.372 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.264 15.638 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.912 16.293 0.647 1.00 0.00 H new ATOM 729 N ALA A 51 13.690 17.986 -1.292 1.00 0.00 N ATOM 730 CA ALA A 51 14.528 19.115 -1.678 1.00 0.00 C ATOM 731 C ALA A 51 14.251 19.538 -3.116 1.00 0.00 C ATOM 732 O ALA A 51 13.948 20.701 -3.384 1.00 0.00 O ATOM 733 CB ALA A 51 15.998 18.764 -1.502 1.00 0.00 C ATOM 0 H ALA A 51 14.203 17.191 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 51 14.286 19.955 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.613 19.615 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.191 18.518 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.245 17.907 -2.128 1.00 0.00 H new ATOM 739 N VAL A 52 14.358 18.587 -4.039 1.00 0.00 N ATOM 740 CA VAL A 52 14.118 18.862 -5.451 1.00 0.00 C ATOM 741 C VAL A 52 12.836 19.663 -5.645 1.00 0.00 C ATOM 742 O VAL A 52 12.849 20.746 -6.231 1.00 0.00 O ATOM 743 CB VAL A 52 14.026 17.560 -6.268 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.780 17.868 -7.738 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.289 16.731 -6.093 1.00 0.00 C ATOM 0 H VAL A 52 14.609 17.620 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 52 14.965 19.447 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 52 13.182 16.978 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.718 16.936 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.845 18.418 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.601 18.471 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.207 15.815 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.151 17.304 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.416 16.480 -5.040 1.00 0.00 H new ATOM 755 N LYS A 53 11.727 19.124 -5.149 1.00 0.00 N ATOM 756 CA LYS A 53 10.434 19.788 -5.266 1.00 0.00 C ATOM 757 C LYS A 53 10.464 21.157 -4.594 1.00 0.00 C ATOM 758 O LYS A 53 10.138 22.171 -5.213 1.00 0.00 O ATOM 759 CB LYS A 53 9.336 18.925 -4.640 1.00 0.00 C ATOM 760 CG LYS A 53 8.760 17.891 -5.592 1.00 0.00 C ATOM 761 CD LYS A 53 7.852 18.531 -6.628 1.00 0.00 C ATOM 762 CE LYS A 53 6.412 18.600 -6.141 1.00 0.00 C ATOM 763 NZ LYS A 53 6.177 19.785 -5.270 1.00 0.00 N ATOM 0 H LYS A 53 11.698 18.228 -4.662 1.00 0.00 H new ATOM 0 HA LYS A 53 10.219 19.927 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.740 18.416 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.532 19.572 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.572 17.365 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.200 17.147 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.209 19.536 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.897 17.960 -7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.740 18.641 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.171 17.691 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.194 20.107 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.347 19.525 -4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.825 20.551 -5.543 1.00 0.00 H new ATOM 777 N LYS A 54 10.857 21.181 -3.326 1.00 0.00 N ATOM 778 CA LYS A 54 10.932 22.425 -2.570 1.00 0.00 C ATOM 779 C LYS A 54 11.538 23.540 -3.417 1.00 0.00 C ATOM 780 O LYS A 54 10.910 24.575 -3.639 1.00 0.00 O ATOM 781 CB LYS A 54 11.763 22.226 -1.300 1.00 0.00 C ATOM 782 CG LYS A 54 10.946 21.764 -0.106 1.00 0.00 C ATOM 783 CD LYS A 54 11.701 21.966 1.197 1.00 0.00 C ATOM 784 CE LYS A 54 12.564 20.760 1.534 1.00 0.00 C ATOM 785 NZ LYS A 54 11.805 19.730 2.297 1.00 0.00 N ATOM 0 H LYS A 54 11.129 20.351 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 54 9.918 22.713 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.546 21.494 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.259 23.164 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.006 22.315 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.694 20.710 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.329 22.854 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.992 22.145 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.948 20.320 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.426 21.082 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.428 18.924 2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.459 20.142 3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.997 19.404 1.730 1.00 0.00 H new ATOM 799 N MET A 55 12.761 23.321 -3.887 1.00 0.00 N ATOM 800 CA MET A 55 13.450 24.307 -4.712 1.00 0.00 C ATOM 801 C MET A 55 12.551 24.791 -5.846 1.00 0.00 C ATOM 802 O MET A 55 12.464 25.989 -6.112 1.00 0.00 O ATOM 803 CB MET A 55 14.739 23.713 -5.285 1.00 0.00 C ATOM 804 CG MET A 55 15.805 23.448 -4.236 1.00 0.00 C ATOM 805 SD MET A 55 16.885 24.868 -3.969 1.00 0.00 S ATOM 806 CE MET A 55 18.380 24.314 -4.786 1.00 0.00 C ATOM 0 H MET A 55 13.296 22.470 -3.711 1.00 0.00 H new ATOM 0 HA MET A 55 13.701 25.160 -4.082 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.503 22.779 -5.795 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.141 24.394 -6.035 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.325 23.180 -3.295 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.406 22.592 -4.542 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.911 25.173 -5.196 1.00 0.00 H new ATOM 0 HE2 MET A 55 19.019 23.802 -4.067 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.121 23.629 -5.593 1.00 0.00 H new ATOM 816 N ALA A 56 11.886 23.851 -6.509 1.00 0.00 N ATOM 817 CA ALA A 56 10.993 24.183 -7.612 1.00 0.00 C ATOM 818 C ALA A 56 10.014 25.283 -7.215 1.00 0.00 C ATOM 819 O ALA A 56 9.900 26.303 -7.896 1.00 0.00 O ATOM 820 CB ALA A 56 10.238 22.944 -8.071 1.00 0.00 C ATOM 0 H ALA A 56 11.949 22.854 -6.302 1.00 0.00 H new ATOM 0 HA ALA A 56 11.600 24.553 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.575 23.207 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.949 22.187 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.649 22.549 -7.243 1.00 0.00 H new ATOM 826 N LYS A 57 9.309 25.071 -6.109 1.00 0.00 N ATOM 827 CA LYS A 57 8.340 26.044 -5.620 1.00 0.00 C ATOM 828 C LYS A 57 8.925 27.453 -5.643 1.00 0.00 C ATOM 829 O LYS A 57 8.291 28.390 -6.126 1.00 0.00 O ATOM 830 CB LYS A 57 7.900 25.687 -4.199 1.00 0.00 C ATOM 831 CG LYS A 57 7.100 24.398 -4.116 1.00 0.00 C ATOM 832 CD LYS A 57 6.410 24.256 -2.770 1.00 0.00 C ATOM 833 CE LYS A 57 5.038 24.912 -2.775 1.00 0.00 C ATOM 834 NZ LYS A 57 4.411 24.897 -1.424 1.00 0.00 N ATOM 0 H LYS A 57 9.391 24.233 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 57 7.473 26.018 -6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.783 25.598 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.300 26.504 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.355 24.379 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.761 23.547 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.308 23.200 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.028 24.708 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.129 25.941 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.390 24.394 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.477 25.353 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.301 23.914 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.016 25.414 -0.755 1.00 0.00 H new ATOM 848 N ALA A 58 10.139 27.593 -5.120 1.00 0.00 N ATOM 849 CA ALA A 58 10.810 28.887 -5.084 1.00 0.00 C ATOM 850 C ALA A 58 10.914 29.490 -6.480 1.00 0.00 C ATOM 851 O ALA A 58 10.666 30.681 -6.672 1.00 0.00 O ATOM 852 CB ALA A 58 12.192 28.747 -4.463 1.00 0.00 C ATOM 0 H ALA A 58 10.678 26.827 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 58 10.214 29.561 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.682 29.720 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.097 28.367 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.788 28.053 -5.055 1.00 0.00 H new ATOM 858 N ILE A 59 11.284 28.662 -7.452 1.00 0.00 N ATOM 859 CA ILE A 59 11.420 29.114 -8.830 1.00 0.00 C ATOM 860 C ILE A 59 10.087 29.608 -9.382 1.00 0.00 C ATOM 861 O ILE A 59 9.987 30.728 -9.882 1.00 0.00 O ATOM 862 CB ILE A 59 11.956 27.994 -9.741 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.334 27.533 -9.261 1.00 0.00 C ATOM 864 CG2 ILE A 59 12.023 28.470 -11.184 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.702 26.141 -9.727 1.00 0.00 C ATOM 0 H ILE A 59 11.495 27.674 -7.310 1.00 0.00 H new ATOM 0 HA ILE A 59 12.134 29.937 -8.821 1.00 0.00 H new ATOM 0 HB ILE A 59 11.272 27.147 -9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.087 28.237 -9.615 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.358 27.561 -8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.404 27.667 -11.815 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.026 28.754 -11.520 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.688 29.331 -11.253 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.691 25.881 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.970 25.426 -9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.710 26.112 -10.817 1.00 0.00 H new ATOM 877 N MET A 60 9.064 28.764 -9.285 1.00 0.00 N ATOM 878 CA MET A 60 7.735 29.116 -9.771 1.00 0.00 C ATOM 879 C MET A 60 7.407 30.571 -9.453 1.00 0.00 C ATOM 880 O MET A 60 6.934 31.313 -10.313 1.00 0.00 O ATOM 881 CB MET A 60 6.682 28.196 -9.151 1.00 0.00 C ATOM 882 CG MET A 60 6.890 26.726 -9.479 1.00 0.00 C ATOM 883 SD MET A 60 6.155 26.255 -11.057 1.00 0.00 S ATOM 884 CE MET A 60 4.569 25.623 -10.516 1.00 0.00 C ATOM 0 H MET A 60 9.130 27.833 -8.875 1.00 0.00 H new ATOM 0 HA MET A 60 7.726 28.989 -10.854 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.692 28.323 -8.069 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.695 28.501 -9.498 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.958 26.511 -9.502 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.459 26.116 -8.685 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.954 25.390 -11.386 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.720 24.719 -9.926 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.066 26.374 -9.907 1.00 0.00 H new ATOM 894 N ALA A 61 7.662 30.972 -8.211 1.00 0.00 N ATOM 895 CA ALA A 61 7.395 32.339 -7.780 1.00 0.00 C ATOM 896 C ALA A 61 8.343 33.323 -8.458 1.00 0.00 C ATOM 897 O ALA A 61 7.906 34.266 -9.118 1.00 0.00 O ATOM 898 CB ALA A 61 7.511 32.448 -6.267 1.00 0.00 C ATOM 0 H ALA A 61 8.053 30.370 -7.486 1.00 0.00 H new ATOM 0 HA ALA A 61 6.377 32.594 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.309 33.474 -5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.789 31.780 -5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.518 32.168 -5.958 1.00 0.00 H new ATOM 904 N ASP A 62 9.641 33.098 -8.289 1.00 0.00 N ATOM 905 CA ASP A 62 10.651 33.965 -8.884 1.00 0.00 C ATOM 906 C ASP A 62 11.465 33.212 -9.932 1.00 0.00 C ATOM 907 O ASP A 62 12.015 32.141 -9.674 1.00 0.00 O ATOM 908 CB ASP A 62 11.579 34.521 -7.803 1.00 0.00 C ATOM 909 CG ASP A 62 10.874 35.496 -6.881 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.068 36.308 -7.381 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.129 35.448 -5.659 1.00 0.00 O ATOM 0 H ASP A 62 10.019 32.322 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 62 10.139 34.794 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.982 33.696 -7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.425 35.019 -8.276 1.00 0.00 H new ATOM 916 N PRO A 63 11.544 33.782 -11.143 1.00 0.00 N ATOM 917 CA PRO A 63 12.288 33.181 -12.254 1.00 0.00 C ATOM 918 C PRO A 63 13.795 33.219 -12.030 1.00 0.00 C ATOM 919 O PRO A 63 14.493 32.234 -12.269 1.00 0.00 O ATOM 920 CB PRO A 63 11.903 34.054 -13.452 1.00 0.00 C ATOM 921 CG PRO A 63 11.528 35.368 -12.858 1.00 0.00 C ATOM 922 CD PRO A 63 10.913 35.058 -11.521 1.00 0.00 C ATOM 0 HA PRO A 63 12.047 32.126 -12.383 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.734 34.158 -14.150 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.072 33.619 -14.008 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.402 36.009 -12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.823 35.899 -13.498 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.121 35.841 -10.792 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.829 34.966 -11.589 1.00 0.00 H new ATOM 930 N ASN A 64 14.292 34.363 -11.570 1.00 0.00 N ATOM 931 CA ASN A 64 15.718 34.529 -11.314 1.00 0.00 C ATOM 932 C ASN A 64 16.274 33.338 -10.539 1.00 0.00 C ATOM 933 O ASN A 64 17.426 32.946 -10.724 1.00 0.00 O ATOM 934 CB ASN A 64 15.970 35.821 -10.534 1.00 0.00 C ATOM 935 CG ASN A 64 15.049 36.946 -10.966 1.00 0.00 C ATOM 936 OD1 ASN A 64 13.853 36.931 -10.674 1.00 0.00 O ATOM 937 ND2 ASN A 64 15.603 37.929 -11.666 1.00 0.00 N ATOM 0 H ASN A 64 13.728 35.188 -11.367 1.00 0.00 H new ATOM 0 HA ASN A 64 16.230 34.586 -12.275 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.834 35.632 -9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.006 36.130 -10.673 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.033 38.713 -11.984 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.599 37.901 -11.885 1.00 0.00 H new ATOM 944 N LYS A 65 15.446 32.766 -9.671 1.00 0.00 N ATOM 945 CA LYS A 65 15.852 31.618 -8.869 1.00 0.00 C ATOM 946 C LYS A 65 16.169 30.419 -9.756 1.00 0.00 C ATOM 947 O LYS A 65 17.070 29.635 -9.458 1.00 0.00 O ATOM 948 CB LYS A 65 14.751 31.252 -7.872 1.00 0.00 C ATOM 949 CG LYS A 65 14.699 32.166 -6.660 1.00 0.00 C ATOM 950 CD LYS A 65 15.887 31.939 -5.739 1.00 0.00 C ATOM 951 CE LYS A 65 16.211 33.186 -4.931 1.00 0.00 C ATOM 952 NZ LYS A 65 15.452 33.231 -3.651 1.00 0.00 N ATOM 0 H LYS A 65 14.489 33.079 -9.505 1.00 0.00 H new ATOM 0 HA LYS A 65 16.754 31.890 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.787 31.282 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.903 30.226 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.685 33.206 -6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.773 31.992 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.672 31.112 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.757 31.650 -6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.280 33.214 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.979 34.072 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.701 34.096 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.432 33.230 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.692 32.399 -3.075 1.00 0.00 H new ATOM 966 N ALA A 66 15.423 30.283 -10.848 1.00 0.00 N ATOM 967 CA ALA A 66 15.627 29.181 -11.780 1.00 0.00 C ATOM 968 C ALA A 66 17.095 29.061 -12.176 1.00 0.00 C ATOM 969 O ALA A 66 17.713 28.011 -11.996 1.00 0.00 O ATOM 970 CB ALA A 66 14.759 29.367 -13.016 1.00 0.00 C ATOM 0 H ALA A 66 14.672 30.922 -11.109 1.00 0.00 H new ATOM 0 HA ALA A 66 15.336 28.257 -11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.922 28.537 -13.703 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.710 29.395 -12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.023 30.303 -13.509 1.00 0.00 H new ATOM 976 N ASP A 67 17.648 30.142 -12.715 1.00 0.00 N ATOM 977 CA ASP A 67 19.044 30.158 -13.136 1.00 0.00 C ATOM 978 C ASP A 67 19.947 29.589 -12.046 1.00 0.00 C ATOM 979 O ASP A 67 20.690 28.636 -12.278 1.00 0.00 O ATOM 980 CB ASP A 67 19.478 31.583 -13.482 1.00 0.00 C ATOM 981 CG ASP A 67 19.048 31.997 -14.876 1.00 0.00 C ATOM 982 OD1 ASP A 67 19.455 31.326 -15.847 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.303 32.993 -14.995 1.00 0.00 O ATOM 0 H ASP A 67 17.151 31.019 -12.871 1.00 0.00 H new ATOM 0 HA ASP A 67 19.137 29.532 -14.024 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.055 32.275 -12.754 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.562 31.659 -13.402 1.00 0.00 H new ATOM 988 N GLU A 68 19.877 30.180 -10.858 1.00 0.00 N ATOM 989 CA GLU A 68 20.690 29.732 -9.733 1.00 0.00 C ATOM 990 C GLU A 68 20.467 28.248 -9.458 1.00 0.00 C ATOM 991 O GLU A 68 21.399 27.446 -9.526 1.00 0.00 O ATOM 992 CB GLU A 68 20.362 30.549 -8.481 1.00 0.00 C ATOM 993 CG GLU A 68 20.505 32.048 -8.678 1.00 0.00 C ATOM 994 CD GLU A 68 21.922 32.458 -9.032 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.864 31.940 -8.397 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.087 33.295 -9.943 1.00 0.00 O ATOM 0 H GLU A 68 19.266 30.970 -10.649 1.00 0.00 H new ATOM 0 HA GLU A 68 21.738 29.882 -9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.341 30.328 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 68 21.018 30.234 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.829 32.373 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.199 32.561 -7.766 1.00 0.00 H new ATOM 1003 N VAL A 69 19.225 27.889 -9.147 1.00 0.00 N ATOM 1004 CA VAL A 69 18.879 26.502 -8.862 1.00 0.00 C ATOM 1005 C VAL A 69 19.446 25.565 -9.923 1.00 0.00 C ATOM 1006 O VAL A 69 20.260 24.692 -9.624 1.00 0.00 O ATOM 1007 CB VAL A 69 17.353 26.309 -8.785 1.00 0.00 C ATOM 1008 CG1 VAL A 69 17.009 24.840 -8.591 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.765 27.154 -7.665 1.00 0.00 C ATOM 0 H VAL A 69 18.442 28.540 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 69 19.318 26.258 -7.894 1.00 0.00 H new ATOM 0 HB VAL A 69 16.915 26.639 -9.727 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.926 24.724 -8.539 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.396 24.262 -9.430 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.458 24.481 -7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.686 27.005 -7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.208 26.857 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.980 28.206 -7.852 1.00 0.00 H new ATOM 1019 N TYR A 70 19.010 25.753 -11.164 1.00 0.00 N ATOM 1020 CA TYR A 70 19.472 24.923 -12.270 1.00 0.00 C ATOM 1021 C TYR A 70 20.947 24.568 -12.106 1.00 0.00 C ATOM 1022 O TYR A 70 21.351 23.425 -12.321 1.00 0.00 O ATOM 1023 CB TYR A 70 19.255 25.644 -13.601 1.00 0.00 C ATOM 1024 CG TYR A 70 17.797 25.827 -13.960 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.889 24.785 -13.812 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.328 27.040 -14.448 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.557 24.947 -14.139 1.00 0.00 C ATOM 1028 CE2 TYR A 70 15.997 27.212 -14.776 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.116 26.162 -14.620 1.00 0.00 C ATOM 1030 OH TYR A 70 13.789 26.328 -14.947 1.00 0.00 O ATOM 0 H TYR A 70 18.337 26.473 -11.429 1.00 0.00 H new ATOM 0 HA TYR A 70 18.892 24.000 -12.265 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.735 26.622 -13.558 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.748 25.082 -14.394 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.231 23.833 -13.435 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.016 27.863 -14.573 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.865 24.127 -14.019 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.648 28.162 -15.152 1.00 0.00 H new ATOM 0 HH TYR A 70 13.341 25.456 -14.949 1.00 0.00 H new ATOM 1040 N LYS A 71 21.747 25.557 -11.723 1.00 0.00 N ATOM 1041 CA LYS A 71 23.177 25.353 -11.527 1.00 0.00 C ATOM 1042 C LYS A 71 23.440 24.500 -10.290 1.00 0.00 C ATOM 1043 O LYS A 71 24.283 23.602 -10.309 1.00 0.00 O ATOM 1044 CB LYS A 71 23.893 26.699 -11.393 1.00 0.00 C ATOM 1045 CG LYS A 71 23.707 27.608 -12.595 1.00 0.00 C ATOM 1046 CD LYS A 71 23.950 29.065 -12.235 1.00 0.00 C ATOM 1047 CE LYS A 71 25.422 29.430 -12.350 1.00 0.00 C ATOM 1048 NZ LYS A 71 26.188 29.031 -11.137 1.00 0.00 N ATOM 0 H LYS A 71 21.429 26.509 -11.542 1.00 0.00 H new ATOM 0 HA LYS A 71 23.566 24.828 -12.399 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.527 27.209 -10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.958 26.521 -11.243 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.392 27.309 -13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 71 22.696 27.493 -12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.363 29.706 -12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.606 29.252 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 71 25.850 28.943 -13.226 1.00 0.00 H new ATOM 0 HE3 LYS A 71 25.519 30.505 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 27.022 29.643 -11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.583 29.129 -10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 26.494 28.041 -11.230 1.00 0.00 H new ATOM 1062 N LYS A 72 22.713 24.784 -9.215 1.00 0.00 N ATOM 1063 CA LYS A 72 22.865 24.042 -7.969 1.00 0.00 C ATOM 1064 C LYS A 72 22.538 22.566 -8.172 1.00 0.00 C ATOM 1065 O LYS A 72 23.335 21.692 -7.830 1.00 0.00 O ATOM 1066 CB LYS A 72 21.959 24.632 -6.886 1.00 0.00 C ATOM 1067 CG LYS A 72 22.402 26.002 -6.403 1.00 0.00 C ATOM 1068 CD LYS A 72 21.338 26.660 -5.540 1.00 0.00 C ATOM 1069 CE LYS A 72 21.701 28.100 -5.208 1.00 0.00 C ATOM 1070 NZ LYS A 72 22.667 28.182 -4.078 1.00 0.00 N ATOM 0 H LYS A 72 22.012 25.524 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 72 23.904 24.126 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.943 24.704 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.929 23.949 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.326 25.907 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.621 26.638 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.380 26.636 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.214 26.093 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.130 28.578 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.797 28.653 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.889 29.179 -3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.248 27.748 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.540 27.676 -4.330 1.00 0.00 H new ATOM 1084 N TRP A 73 21.364 22.297 -8.731 1.00 0.00 N ATOM 1085 CA TRP A 73 20.933 20.926 -8.980 1.00 0.00 C ATOM 1086 C TRP A 73 22.031 20.128 -9.676 1.00 0.00 C ATOM 1087 O TRP A 73 22.561 19.168 -9.119 1.00 0.00 O ATOM 1088 CB TRP A 73 19.661 20.916 -9.830 1.00 0.00 C ATOM 1089 CG TRP A 73 18.411 21.124 -9.030 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.214 20.801 -7.718 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.184 21.700 -9.492 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.939 21.142 -7.336 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.287 21.696 -8.406 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.757 22.221 -10.716 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.990 22.191 -8.510 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.470 22.712 -10.818 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.599 22.695 -9.720 1.00 0.00 C ATOM 0 H TRP A 73 20.694 23.009 -9.020 1.00 0.00 H new ATOM 0 HA TRP A 73 20.723 20.457 -8.019 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.733 21.696 -10.588 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.592 19.965 -10.357 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.952 20.345 -7.075 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.542 21.005 -6.406 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.421 22.240 -11.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.317 22.178 -7.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.129 23.116 -11.760 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.599 23.088 -9.832 1.00 0.00 H new ATOM 1108 N ALA A 74 22.367 20.533 -10.897 1.00 0.00 N ATOM 1109 CA ALA A 74 23.403 19.857 -11.667 1.00 0.00 C ATOM 1110 C ALA A 74 24.663 19.652 -10.832 1.00 0.00 C ATOM 1111 O ALA A 74 25.310 18.608 -10.914 1.00 0.00 O ATOM 1112 CB ALA A 74 23.725 20.648 -12.926 1.00 0.00 C ATOM 0 H ALA A 74 21.937 21.326 -11.373 1.00 0.00 H new ATOM 0 HA ALA A 74 23.026 18.875 -11.954 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.500 20.132 -13.492 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.828 20.738 -13.539 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.078 21.642 -12.651 1.00 0.00 H new ATOM 1118 N ASP A 75 25.005 20.655 -10.031 1.00 0.00 N ATOM 1119 CA ASP A 75 26.187 20.584 -9.180 1.00 0.00 C ATOM 1120 C ASP A 75 26.076 19.430 -8.189 1.00 0.00 C ATOM 1121 O ASP A 75 27.053 18.731 -7.921 1.00 0.00 O ATOM 1122 CB ASP A 75 26.380 21.902 -8.428 1.00 0.00 C ATOM 1123 CG ASP A 75 27.222 22.895 -9.206 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.138 22.455 -9.931 1.00 0.00 O ATOM 1125 OD2 ASP A 75 26.964 24.111 -9.090 1.00 0.00 O ATOM 0 H ASP A 75 24.481 21.526 -9.953 1.00 0.00 H new ATOM 0 HA ASP A 75 27.053 20.408 -9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.406 22.343 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.854 21.703 -7.467 1.00 0.00 H new ATOM 1130 N LYS A 76 24.878 19.237 -7.646 1.00 0.00 N ATOM 1131 CA LYS A 76 24.637 18.169 -6.684 1.00 0.00 C ATOM 1132 C LYS A 76 24.877 16.802 -7.317 1.00 0.00 C ATOM 1133 O LYS A 76 25.578 15.961 -6.756 1.00 0.00 O ATOM 1134 CB LYS A 76 23.206 18.250 -6.148 1.00 0.00 C ATOM 1135 CG LYS A 76 22.883 19.573 -5.476 1.00 0.00 C ATOM 1136 CD LYS A 76 23.438 19.631 -4.062 1.00 0.00 C ATOM 1137 CE LYS A 76 22.787 20.742 -3.253 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.678 21.229 -2.163 1.00 0.00 N ATOM 0 H LYS A 76 24.059 19.807 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 76 25.336 18.295 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.509 18.090 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.048 17.441 -5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.298 20.392 -6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.803 19.715 -5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.274 18.674 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.516 19.790 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.534 21.572 -3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.853 20.379 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 23.198 21.986 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 23.899 20.443 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.559 21.598 -2.574 1.00 0.00 H new ATOM 1152 N GLY A 77 24.292 16.588 -8.492 1.00 0.00 N ATOM 1153 CA GLY A 77 24.455 15.322 -9.182 1.00 0.00 C ATOM 1154 C GLY A 77 23.129 14.692 -9.560 1.00 0.00 C ATOM 1155 O GLY A 77 22.890 13.518 -9.278 1.00 0.00 O ATOM 0 H GLY A 77 23.708 17.269 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.050 15.476 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.012 14.634 -8.546 1.00 0.00 H new ATOM 1159 N TYR A 78 22.265 15.473 -10.197 1.00 0.00 N ATOM 1160 CA TYR A 78 20.954 14.986 -10.610 1.00 0.00 C ATOM 1161 C TYR A 78 20.899 14.783 -12.121 1.00 0.00 C ATOM 1162 O TYR A 78 21.781 15.233 -12.853 1.00 0.00 O ATOM 1163 CB TYR A 78 19.863 15.966 -10.176 1.00 0.00 C ATOM 1164 CG TYR A 78 19.784 16.161 -8.679 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.512 15.093 -7.833 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.982 17.413 -8.110 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.438 15.267 -6.464 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.912 17.596 -6.742 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.640 16.519 -5.924 1.00 0.00 C ATOM 1170 OH TYR A 78 19.568 16.697 -4.561 1.00 0.00 O ATOM 0 H TYR A 78 22.448 16.447 -10.439 1.00 0.00 H new ATOM 0 HA TYR A 78 20.783 14.024 -10.126 1.00 0.00 H new ATOM 0 HB2 TYR A 78 20.043 16.931 -10.650 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.900 15.608 -10.538 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.356 14.110 -8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 78 20.194 18.258 -8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.223 14.427 -5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 78 20.069 18.576 -6.316 1.00 0.00 H new ATOM 0 HH TYR A 78 19.736 17.638 -4.345 1.00 0.00 H new ATOM 1180 N THR A 79 19.856 14.101 -12.582 1.00 0.00 N ATOM 1181 CA THR A 79 19.684 13.836 -14.005 1.00 0.00 C ATOM 1182 C THR A 79 18.213 13.894 -14.402 1.00 0.00 C ATOM 1183 O THR A 79 17.336 13.499 -13.632 1.00 0.00 O ATOM 1184 CB THR A 79 20.255 12.459 -14.394 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.876 11.480 -13.420 1.00 0.00 O ATOM 1186 CG2 THR A 79 21.771 12.513 -14.502 1.00 0.00 C ATOM 0 H THR A 79 19.117 13.722 -11.990 1.00 0.00 H new ATOM 0 HA THR A 79 20.232 14.612 -14.539 1.00 0.00 H new ATOM 0 HB THR A 79 19.847 12.182 -15.366 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.241 10.607 -13.675 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.151 11.529 -14.778 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.056 13.239 -15.264 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.194 12.810 -13.542 1.00 0.00 H new ATOM 1194 N LEU A 80 17.949 14.388 -15.606 1.00 0.00 N ATOM 1195 CA LEU A 80 16.583 14.497 -16.106 1.00 0.00 C ATOM 1196 C LEU A 80 15.729 13.333 -15.614 1.00 0.00 C ATOM 1197 O LEU A 80 14.673 13.533 -15.012 1.00 0.00 O ATOM 1198 CB LEU A 80 16.580 14.536 -17.635 1.00 0.00 C ATOM 1199 CG LEU A 80 17.092 15.827 -18.274 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.284 15.642 -19.772 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.135 16.977 -17.996 1.00 0.00 C ATOM 0 H LEU A 80 18.663 14.720 -16.255 1.00 0.00 H new ATOM 0 HA LEU A 80 16.155 15.424 -15.724 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.187 13.708 -18.001 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.561 14.362 -17.981 1.00 0.00 H new ATOM 0 HG LEU A 80 18.058 16.070 -17.831 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.649 16.571 -20.210 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.009 14.848 -19.951 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.332 15.374 -20.231 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.516 17.887 -18.459 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.154 16.743 -18.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.048 17.126 -16.920 1.00 0.00 H new ATOM 1213 N THR A 81 16.193 12.114 -15.872 1.00 0.00 N ATOM 1214 CA THR A 81 15.474 10.918 -15.455 1.00 0.00 C ATOM 1215 C THR A 81 15.157 10.958 -13.964 1.00 0.00 C ATOM 1216 O THR A 81 14.058 10.597 -13.544 1.00 0.00 O ATOM 1217 CB THR A 81 16.279 9.641 -15.763 1.00 0.00 C ATOM 1218 OG1 THR A 81 16.683 9.636 -17.137 1.00 0.00 O ATOM 1219 CG2 THR A 81 15.456 8.397 -15.466 1.00 0.00 C ATOM 0 H THR A 81 17.065 11.930 -16.368 1.00 0.00 H new ATOM 0 HA THR A 81 14.543 10.897 -16.021 1.00 0.00 H new ATOM 0 HB THR A 81 17.163 9.633 -15.125 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.196 8.822 -17.324 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.046 7.508 -15.691 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.176 8.389 -14.413 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.556 8.401 -16.081 1.00 0.00 H new ATOM 1227 N GLN A 82 16.127 11.399 -13.170 1.00 0.00 N ATOM 1228 CA GLN A 82 15.951 11.486 -11.725 1.00 0.00 C ATOM 1229 C GLN A 82 15.016 12.635 -11.359 1.00 0.00 C ATOM 1230 O GLN A 82 13.936 12.418 -10.811 1.00 0.00 O ATOM 1231 CB GLN A 82 17.303 11.674 -11.035 1.00 0.00 C ATOM 1232 CG GLN A 82 18.130 10.400 -10.961 1.00 0.00 C ATOM 1233 CD GLN A 82 17.336 9.219 -10.438 1.00 0.00 C ATOM 1234 OE1 GLN A 82 17.338 8.937 -9.239 1.00 0.00 O ATOM 1235 NE2 GLN A 82 16.652 8.520 -11.336 1.00 0.00 N ATOM 0 H GLN A 82 17.043 11.702 -13.503 1.00 0.00 H new ATOM 0 HA GLN A 82 15.503 10.553 -11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.871 12.436 -11.569 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.137 12.049 -10.025 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.515 10.163 -11.953 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.992 10.568 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.679 8.789 -12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.100 7.714 -11.042 1.00 0.00 H new ATOM 1244 N MET A 83 15.441 13.857 -11.665 1.00 0.00 N ATOM 1245 CA MET A 83 14.641 15.039 -11.368 1.00 0.00 C ATOM 1246 C MET A 83 13.201 14.853 -11.837 1.00 0.00 C ATOM 1247 O MET A 83 12.263 14.962 -11.048 1.00 0.00 O ATOM 1248 CB MET A 83 15.251 16.274 -12.034 1.00 0.00 C ATOM 1249 CG MET A 83 14.460 17.549 -11.790 1.00 0.00 C ATOM 1250 SD MET A 83 15.503 19.020 -11.770 1.00 0.00 S ATOM 1251 CE MET A 83 16.781 18.513 -10.622 1.00 0.00 C ATOM 0 H MET A 83 16.334 14.054 -12.118 1.00 0.00 H new ATOM 0 HA MET A 83 14.637 15.182 -10.287 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.268 16.411 -11.665 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.322 16.100 -13.108 1.00 0.00 H new ATOM 0 HG2 MET A 83 13.702 17.656 -12.566 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.933 17.469 -10.839 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.755 18.816 -11.005 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.609 18.984 -9.654 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.758 17.429 -10.507 1.00 0.00 H new ATOM 1261 N SER A 84 13.034 14.574 -13.126 1.00 0.00 N ATOM 1262 CA SER A 84 11.708 14.377 -13.700 1.00 0.00 C ATOM 1263 C SER A 84 10.883 13.419 -12.846 1.00 0.00 C ATOM 1264 O SER A 84 9.703 13.656 -12.592 1.00 0.00 O ATOM 1265 CB SER A 84 11.822 13.838 -15.127 1.00 0.00 C ATOM 1266 OG SER A 84 12.145 12.458 -15.126 1.00 0.00 O ATOM 0 H SER A 84 13.800 14.479 -13.792 1.00 0.00 H new ATOM 0 HA SER A 84 11.202 15.342 -13.723 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.881 13.994 -15.654 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.587 14.394 -15.669 1.00 0.00 H new ATOM 0 HG SER A 84 13.118 12.350 -15.088 1.00 0.00 H new ATOM 1272 N ASN A 85 11.514 12.335 -12.407 1.00 0.00 N ATOM 1273 CA ASN A 85 10.840 11.339 -11.582 1.00 0.00 C ATOM 1274 C ASN A 85 10.309 11.967 -10.297 1.00 0.00 C ATOM 1275 O ASN A 85 9.317 11.505 -9.731 1.00 0.00 O ATOM 1276 CB ASN A 85 11.795 10.192 -11.246 1.00 0.00 C ATOM 1277 CG ASN A 85 11.744 9.077 -12.273 1.00 0.00 C ATOM 1278 OD1 ASN A 85 11.103 9.208 -13.316 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.421 7.973 -11.981 1.00 0.00 N ATOM 0 H ASN A 85 12.491 12.124 -12.609 1.00 0.00 H new ATOM 0 HA ASN A 85 9.996 10.945 -12.149 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.813 10.577 -11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.544 9.790 -10.264 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.424 7.189 -12.633 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.938 7.909 -11.104 1.00 0.00 H new ATOM 1286 N PHE A 86 10.976 13.022 -9.841 1.00 0.00 N ATOM 1287 CA PHE A 86 10.572 13.713 -8.622 1.00 0.00 C ATOM 1288 C PHE A 86 9.540 14.795 -8.927 1.00 0.00 C ATOM 1289 O PHE A 86 8.535 14.926 -8.228 1.00 0.00 O ATOM 1290 CB PHE A 86 11.790 14.333 -7.934 1.00 0.00 C ATOM 1291 CG PHE A 86 12.878 13.342 -7.634 1.00 0.00 C ATOM 1292 CD1 PHE A 86 12.569 12.073 -7.173 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.210 13.680 -7.814 1.00 0.00 C ATOM 1294 CE1 PHE A 86 13.568 11.159 -6.896 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.213 12.770 -7.539 1.00 0.00 C ATOM 1296 CZ PHE A 86 14.892 11.508 -7.079 1.00 0.00 C ATOM 0 H PHE A 86 11.798 13.417 -10.297 1.00 0.00 H new ATOM 0 HA PHE A 86 10.119 12.982 -7.953 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.193 15.122 -8.569 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.472 14.804 -7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.536 11.795 -7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.467 14.666 -8.173 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.314 10.173 -6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.247 13.046 -7.684 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.674 10.796 -6.863 1.00 0.00 H new ATOM 1306 N LEU A 87 9.797 15.570 -9.975 1.00 0.00 N ATOM 1307 CA LEU A 87 8.892 16.642 -10.374 1.00 0.00 C ATOM 1308 C LEU A 87 7.811 16.121 -11.315 1.00 0.00 C ATOM 1309 O LEU A 87 7.334 16.842 -12.191 1.00 0.00 O ATOM 1310 CB LEU A 87 9.673 17.770 -11.051 1.00 0.00 C ATOM 1311 CG LEU A 87 10.837 18.355 -10.251 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.645 19.316 -11.109 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.326 19.055 -9.000 1.00 0.00 C ATOM 0 H LEU A 87 10.625 15.476 -10.564 1.00 0.00 H new ATOM 0 HA LEU A 87 8.410 17.029 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.061 17.398 -11.999 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.978 18.576 -11.285 1.00 0.00 H new ATOM 0 HG LEU A 87 11.489 17.537 -9.945 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.469 19.722 -10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.042 18.785 -11.974 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.003 20.130 -11.446 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.168 19.465 -8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.651 19.862 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.792 18.339 -8.375 1.00 0.00 H new ATOM 1325 N LYS A 88 7.427 14.862 -11.127 1.00 0.00 N ATOM 1326 CA LYS A 88 6.400 14.243 -11.956 1.00 0.00 C ATOM 1327 C LYS A 88 5.006 14.583 -11.439 1.00 0.00 C ATOM 1328 O LYS A 88 4.086 13.769 -11.526 1.00 0.00 O ATOM 1329 CB LYS A 88 6.588 12.725 -11.989 1.00 0.00 C ATOM 1330 CG LYS A 88 6.205 12.093 -13.316 1.00 0.00 C ATOM 1331 CD LYS A 88 7.049 10.864 -13.612 1.00 0.00 C ATOM 1332 CE LYS A 88 6.375 9.594 -13.116 1.00 0.00 C ATOM 1333 NZ LYS A 88 7.329 8.452 -13.044 1.00 0.00 N ATOM 0 H LYS A 88 7.812 14.251 -10.407 1.00 0.00 H new ATOM 0 HA LYS A 88 6.499 14.636 -12.968 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.631 12.492 -11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.990 12.276 -11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.151 11.816 -13.297 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.329 12.822 -14.117 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.222 10.790 -14.686 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.025 10.968 -13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.946 9.772 -12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.550 9.337 -13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.832 7.605 -12.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.719 8.266 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.103 8.687 -12.390 1.00 0.00 H new ATOM 1433 N TYR A 95 4.875 21.458 -12.786 1.00 0.00 N ATOM 1434 CA TYR A 95 6.234 21.982 -12.853 1.00 0.00 C ATOM 1435 C TYR A 95 6.864 21.689 -14.211 1.00 0.00 C ATOM 1436 O TYR A 95 7.989 21.194 -14.293 1.00 0.00 O ATOM 1437 CB TYR A 95 7.092 21.378 -11.740 1.00 0.00 C ATOM 1438 CG TYR A 95 6.586 21.689 -10.349 1.00 0.00 C ATOM 1439 CD1 TYR A 95 5.660 20.863 -9.724 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.035 22.810 -9.661 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.195 21.145 -8.454 1.00 0.00 C ATOM 1442 CE2 TYR A 95 6.576 23.098 -8.390 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.656 22.263 -7.791 1.00 0.00 C ATOM 1444 OH TYR A 95 5.196 22.546 -6.525 1.00 0.00 O ATOM 0 HA TYR A 95 6.186 23.063 -12.720 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.132 20.296 -11.870 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.112 21.749 -11.838 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.298 19.986 -10.240 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.754 23.467 -10.127 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.474 20.493 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.936 23.972 -7.868 1.00 0.00 H new ATOM 0 HH TYR A 95 4.554 21.859 -6.249 1.00 0.00 H new ATOM 1454 N ASP A 96 6.131 21.998 -15.275 1.00 0.00 N ATOM 1455 CA ASP A 96 6.617 21.771 -16.631 1.00 0.00 C ATOM 1456 C ASP A 96 7.652 22.822 -17.021 1.00 0.00 C ATOM 1457 O ASP A 96 8.576 22.544 -17.786 1.00 0.00 O ATOM 1458 CB ASP A 96 5.453 21.790 -17.623 1.00 0.00 C ATOM 1459 CG ASP A 96 5.920 21.755 -19.065 1.00 0.00 C ATOM 1460 OD1 ASP A 96 6.200 20.648 -19.571 1.00 0.00 O ATOM 1461 OD2 ASP A 96 6.008 22.835 -19.687 1.00 0.00 O ATOM 0 H ASP A 96 5.198 22.407 -15.225 1.00 0.00 H new ATOM 0 HA ASP A 96 7.093 20.791 -16.660 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.804 20.935 -17.434 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.855 22.686 -17.460 1.00 0.00 H new ATOM 1466 N ARG A 97 7.488 24.030 -16.493 1.00 0.00 N ATOM 1467 CA ARG A 97 8.406 25.124 -16.788 1.00 0.00 C ATOM 1468 C ARG A 97 9.737 24.926 -16.068 1.00 0.00 C ATOM 1469 O ARG A 97 10.800 25.224 -16.612 1.00 0.00 O ATOM 1470 CB ARG A 97 7.787 26.462 -16.379 1.00 0.00 C ATOM 1471 CG ARG A 97 6.667 26.921 -17.297 1.00 0.00 C ATOM 1472 CD ARG A 97 5.351 26.240 -16.955 1.00 0.00 C ATOM 1473 NE ARG A 97 4.269 26.662 -17.840 1.00 0.00 N ATOM 1474 CZ ARG A 97 2.981 26.530 -17.541 1.00 0.00 C ATOM 1475 NH1 ARG A 97 2.617 25.991 -16.386 1.00 0.00 N ATOM 1476 NH2 ARG A 97 2.055 26.939 -18.399 1.00 0.00 N ATOM 0 H ARG A 97 6.728 24.276 -15.859 1.00 0.00 H new ATOM 0 HA ARG A 97 8.591 25.130 -17.862 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.401 26.379 -15.363 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.567 27.223 -16.362 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.550 28.002 -17.217 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.932 26.704 -18.332 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.474 25.159 -17.023 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.084 26.466 -15.923 1.00 0.00 H new ATOM 0 HE ARG A 97 4.515 27.081 -18.737 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.326 25.676 -15.724 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.628 25.891 -16.159 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.332 27.355 -19.288 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.066 26.838 -18.169 1.00 0.00 H new ATOM 1490 N VAL A 98 9.670 24.421 -14.840 1.00 0.00 N ATOM 1491 CA VAL A 98 10.869 24.182 -14.046 1.00 0.00 C ATOM 1492 C VAL A 98 11.746 23.110 -14.683 1.00 0.00 C ATOM 1493 O VAL A 98 12.972 23.221 -14.694 1.00 0.00 O ATOM 1494 CB VAL A 98 10.515 23.753 -12.609 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.777 23.460 -11.813 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.679 24.824 -11.925 1.00 0.00 C ATOM 0 H VAL A 98 8.798 24.170 -14.374 1.00 0.00 H new ATOM 0 HA VAL A 98 11.418 25.123 -14.012 1.00 0.00 H new ATOM 0 HB VAL A 98 9.924 22.838 -12.656 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.507 23.159 -10.801 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.333 22.656 -12.295 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.397 24.355 -11.772 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.438 24.505 -10.911 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.242 25.756 -11.888 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.757 24.979 -12.486 1.00 0.00 H new ATOM 1506 N TYR A 99 11.110 22.071 -15.212 1.00 0.00 N ATOM 1507 CA TYR A 99 11.832 20.977 -15.850 1.00 0.00 C ATOM 1508 C TYR A 99 12.433 21.422 -17.180 1.00 0.00 C ATOM 1509 O TYR A 99 13.568 21.077 -17.507 1.00 0.00 O ATOM 1510 CB TYR A 99 10.900 19.784 -16.073 1.00 0.00 C ATOM 1511 CG TYR A 99 11.580 18.596 -16.714 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.511 17.841 -16.011 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.293 18.228 -18.023 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.136 16.754 -16.592 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.911 17.142 -18.611 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.832 16.409 -17.893 1.00 0.00 C ATOM 1517 OH TYR A 99 13.451 15.327 -18.476 1.00 0.00 O ATOM 0 H TYR A 99 10.096 21.963 -15.212 1.00 0.00 H new ATOM 0 HA TYR A 99 12.644 20.677 -15.187 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.480 19.478 -15.115 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.066 20.097 -16.701 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.750 18.108 -14.992 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.574 18.801 -18.590 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.858 16.178 -16.031 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.674 16.868 -19.628 1.00 0.00 H new ATOM 0 HH TYR A 99 13.125 15.219 -19.394 1.00 0.00 H new ATOM 1527 N ASN A 100 11.663 22.192 -17.942 1.00 0.00 N ATOM 1528 CA ASN A 100 12.118 22.686 -19.236 1.00 0.00 C ATOM 1529 C ASN A 100 13.519 23.279 -19.130 1.00 0.00 C ATOM 1530 O ASN A 100 14.418 22.915 -19.887 1.00 0.00 O ATOM 1531 CB ASN A 100 11.146 23.738 -19.774 1.00 0.00 C ATOM 1532 CG ASN A 100 9.899 23.119 -20.377 1.00 0.00 C ATOM 1533 OD1 ASN A 100 9.776 21.897 -20.456 1.00 0.00 O ATOM 1534 ND2 ASN A 100 8.968 23.963 -20.806 1.00 0.00 N ATOM 0 H ASN A 100 10.721 22.487 -17.685 1.00 0.00 H new ATOM 0 HA ASN A 100 12.151 21.844 -19.927 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.860 24.411 -18.966 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.650 24.342 -20.529 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.108 23.605 -21.221 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.113 24.969 -20.720 1.00 0.00 H new ATOM 1541 N GLY A 101 13.698 24.196 -18.183 1.00 0.00 N ATOM 1542 CA GLY A 101 14.992 24.825 -17.994 1.00 0.00 C ATOM 1543 C GLY A 101 16.092 23.818 -17.723 1.00 0.00 C ATOM 1544 O GLY A 101 17.019 23.670 -18.521 1.00 0.00 O ATOM 0 H GLY A 101 12.970 24.514 -17.544 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.244 25.404 -18.882 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.933 25.527 -17.162 1.00 0.00 H new ATOM 1548 N TYR A 102 15.992 23.123 -16.595 1.00 0.00 N ATOM 1549 CA TYR A 102 16.988 22.128 -16.219 1.00 0.00 C ATOM 1550 C TYR A 102 17.399 21.286 -17.423 1.00 0.00 C ATOM 1551 O TYR A 102 18.581 21.008 -17.627 1.00 0.00 O ATOM 1552 CB TYR A 102 16.444 21.223 -15.113 1.00 0.00 C ATOM 1553 CG TYR A 102 17.467 20.255 -14.564 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.789 20.642 -14.378 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.113 18.953 -14.232 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.727 19.760 -13.878 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.044 18.065 -13.730 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.350 18.473 -13.554 1.00 0.00 C ATOM 1559 OH TYR A 102 20.281 17.592 -13.056 1.00 0.00 O ATOM 0 H TYR A 102 15.230 23.231 -15.925 1.00 0.00 H new ATOM 0 HA TYR A 102 17.868 22.655 -15.849 1.00 0.00 H new ATOM 0 HB2 TYR A 102 16.070 21.844 -14.299 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.595 20.660 -15.501 1.00 0.00 H new ATOM 0 HD1 TYR A 102 19.088 21.649 -14.629 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.092 18.630 -14.369 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.751 20.076 -13.741 1.00 0.00 H new ATOM 0 HE2 TYR A 102 17.751 17.057 -13.477 1.00 0.00 H new ATOM 0 HH TYR A 102 20.966 18.086 -12.559 1.00 0.00 H new ATOM 1569 N VAL A 103 16.414 20.884 -18.220 1.00 0.00 N ATOM 1570 CA VAL A 103 16.671 20.076 -19.406 1.00 0.00 C ATOM 1571 C VAL A 103 17.776 20.689 -20.260 1.00 0.00 C ATOM 1572 O VAL A 103 18.804 20.058 -20.508 1.00 0.00 O ATOM 1573 CB VAL A 103 15.402 19.919 -20.264 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.710 19.146 -21.538 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.302 19.232 -19.467 1.00 0.00 C ATOM 0 H VAL A 103 15.430 21.105 -18.066 1.00 0.00 H new ATOM 0 HA VAL A 103 16.988 19.093 -19.057 1.00 0.00 H new ATOM 0 HB VAL A 103 15.050 20.911 -20.546 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.801 19.045 -22.131 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.463 19.682 -22.116 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.087 18.156 -21.281 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.412 19.129 -20.088 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.642 18.245 -19.154 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.063 19.829 -18.587 1.00 0.00 H new ATOM 1585 N ILE A 104 17.556 21.921 -20.706 1.00 0.00 N ATOM 1586 CA ILE A 104 18.534 22.620 -21.530 1.00 0.00 C ATOM 1587 C ILE A 104 19.803 22.923 -20.741 1.00 0.00 C ATOM 1588 O ILE A 104 20.915 22.711 -21.226 1.00 0.00 O ATOM 1589 CB ILE A 104 17.963 23.937 -22.087 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.776 23.653 -23.010 1.00 0.00 C ATOM 1591 CG2 ILE A 104 19.043 24.712 -22.827 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.450 23.581 -22.285 1.00 0.00 C ATOM 0 H ILE A 104 16.709 22.455 -20.511 1.00 0.00 H new ATOM 0 HA ILE A 104 18.776 21.958 -22.361 1.00 0.00 H new ATOM 0 HB ILE A 104 17.614 24.546 -21.253 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.723 24.432 -23.771 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.948 22.711 -23.530 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.624 25.640 -23.215 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.860 24.941 -22.143 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.420 24.111 -23.654 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.654 23.377 -23.001 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.484 22.783 -21.543 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.255 24.531 -21.787 1.00 0.00 H new ATOM 1604 N HIS A 105 19.629 23.419 -19.520 1.00 0.00 N ATOM 1605 CA HIS A 105 20.761 23.750 -18.661 1.00 0.00 C ATOM 1606 C HIS A 105 21.870 22.711 -18.799 1.00 0.00 C ATOM 1607 O HIS A 105 23.053 23.051 -18.829 1.00 0.00 O ATOM 1608 CB HIS A 105 20.311 23.841 -17.202 1.00 0.00 C ATOM 1609 CG HIS A 105 21.412 24.217 -16.259 1.00 0.00 C ATOM 1610 ND1 HIS A 105 21.728 25.524 -15.953 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.272 23.448 -15.550 1.00 0.00 C ATOM 1612 CE1 HIS A 105 22.735 25.542 -15.099 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.084 24.295 -14.838 1.00 0.00 N ATOM 0 H HIS A 105 18.716 23.600 -19.103 1.00 0.00 H new ATOM 0 HA HIS A 105 21.153 24.718 -18.974 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.509 24.575 -17.123 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.895 22.880 -16.898 1.00 0.00 H new ATOM 0 HD1 HIS A 105 21.258 26.348 -16.328 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.312 22.369 -15.546 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.195 26.427 -14.684 1.00 0.00 H new ATOM 1622 N LEU A 106 21.479 21.444 -18.882 1.00 0.00 N ATOM 1623 CA LEU A 106 22.440 20.354 -19.017 1.00 0.00 C ATOM 1624 C LEU A 106 23.218 20.473 -20.324 1.00 0.00 C ATOM 1625 O LEU A 106 24.424 20.229 -20.364 1.00 0.00 O ATOM 1626 CB LEU A 106 21.723 19.005 -18.958 1.00 0.00 C ATOM 1627 CG LEU A 106 21.489 18.430 -17.560 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.797 17.078 -17.648 1.00 0.00 C ATOM 1629 CD2 LEU A 106 22.805 18.309 -16.806 1.00 0.00 C ATOM 0 H LEU A 106 20.504 21.146 -18.858 1.00 0.00 H new ATOM 0 HA LEU A 106 23.145 20.420 -18.188 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.757 19.107 -19.453 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.302 18.283 -19.534 1.00 0.00 H new ATOM 0 HG LEU A 106 20.840 19.113 -17.011 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.639 16.684 -16.644 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.835 17.193 -18.148 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.420 16.386 -18.215 1.00 0.00 H new ATOM 0 HD21 LEU A 106 22.619 17.898 -15.814 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.478 17.648 -17.352 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.262 19.294 -16.711 1.00 0.00 H new