USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 LYS NZ :NH3+ -142:sc= 0.472 (180deg=0.0371) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -176:sc= -0.38 (180deg=-0.187) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.237) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -1.71! (180deg=-1.86!) USER MOD Single : A 60 MET CE :methyl -114:sc= -0.194 (180deg=-2.07) USER MOD Single : A 64 ASN : amide:sc= -0.0135 K(o=-0.014,f=-0.65) USER MOD Single : A 65 LYS NZ :NH3+ 141:sc= -0.263 (180deg=-1.37!) USER MOD Single : A 70 TYR OH : rot -15:sc= 0.688 USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= -0.0531 (180deg=-0.378) 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=-0.00693 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl -167:sc= -4.29 (180deg=-5.34!) USER MOD Single : A 84 SER OG : rot -61:sc= -0.151! USER MOD Single : A 85 ASN : amide:sc= -0.995 X(o=-0.99,f=-0.58) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.18 X(o=-1.2,f=-1) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.929 USER MOD Single : A 105 HIS :FLIP no HD1:sc= -0.24 F(o=-0.93,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.354 11.673 0.794 1.00 0.00 N ATOM 664 CA LEU A 47 13.926 12.984 1.079 1.00 0.00 C ATOM 665 C LEU A 47 14.301 13.707 -0.211 1.00 0.00 C ATOM 666 O LEU A 47 13.840 14.819 -0.466 1.00 0.00 O ATOM 667 CB LEU A 47 15.159 12.841 1.973 1.00 0.00 C ATOM 668 CG LEU A 47 14.904 12.878 3.480 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.109 12.345 4.239 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.570 14.293 3.930 1.00 0.00 C ATOM 0 HA LEU A 47 13.173 13.576 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.651 11.899 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.858 13.639 1.723 1.00 0.00 H new ATOM 0 HG LEU A 47 14.050 12.237 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.909 12.379 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.302 11.315 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.981 12.958 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.392 14.300 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.403 14.955 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.676 14.638 3.411 1.00 0.00 H new ATOM 682 N GLU A 48 15.137 13.066 -1.021 1.00 0.00 N ATOM 683 CA GLU A 48 15.572 13.648 -2.286 1.00 0.00 C ATOM 684 C GLU A 48 14.440 14.437 -2.938 1.00 0.00 C ATOM 685 O GLU A 48 14.607 15.604 -3.296 1.00 0.00 O ATOM 686 CB GLU A 48 16.059 12.553 -3.236 1.00 0.00 C ATOM 687 CG GLU A 48 17.007 13.058 -4.311 1.00 0.00 C ATOM 688 CD GLU A 48 17.815 11.943 -4.947 1.00 0.00 C ATOM 689 OE1 GLU A 48 18.111 10.952 -4.248 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.151 12.063 -6.144 1.00 0.00 O ATOM 0 H GLU A 48 15.527 12.144 -0.824 1.00 0.00 H new ATOM 0 HA GLU A 48 16.396 14.331 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.560 11.777 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.197 12.088 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.434 13.572 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.686 13.791 -3.876 1.00 0.00 H new ATOM 697 N LYS A 49 13.289 13.792 -3.091 1.00 0.00 N ATOM 698 CA LYS A 49 12.128 14.431 -3.700 1.00 0.00 C ATOM 699 C LYS A 49 11.780 15.729 -2.978 1.00 0.00 C ATOM 700 O LYS A 49 11.421 16.723 -3.607 1.00 0.00 O ATOM 701 CB LYS A 49 10.927 13.483 -3.676 1.00 0.00 C ATOM 702 CG LYS A 49 9.836 13.859 -4.663 1.00 0.00 C ATOM 703 CD LYS A 49 8.743 12.804 -4.715 1.00 0.00 C ATOM 704 CE LYS A 49 8.056 12.779 -6.071 1.00 0.00 C ATOM 705 NZ LYS A 49 7.186 13.971 -6.274 1.00 0.00 N ATOM 0 H LYS A 49 13.135 12.826 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 49 12.376 14.667 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.269 12.471 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.506 13.468 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.403 14.819 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.269 13.985 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.172 11.824 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.006 13.003 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.808 12.740 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.457 11.873 -6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.322 13.688 -6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.930 14.375 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.698 14.683 -6.833 1.00 0.00 H new ATOM 719 N ALA A 50 11.891 15.711 -1.654 1.00 0.00 N ATOM 720 CA ALA A 50 11.591 16.888 -0.847 1.00 0.00 C ATOM 721 C ALA A 50 12.505 18.052 -1.213 1.00 0.00 C ATOM 722 O ALA A 50 12.041 19.166 -1.453 1.00 0.00 O ATOM 723 CB ALA A 50 11.719 16.559 0.633 1.00 0.00 C ATOM 0 H ALA A 50 12.186 14.895 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 50 10.564 17.188 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.492 17.446 1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.020 15.763 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.736 16.231 0.846 1.00 0.00 H new ATOM 729 N ALA A 51 13.807 17.787 -1.253 1.00 0.00 N ATOM 730 CA ALA A 51 14.785 18.813 -1.591 1.00 0.00 C ATOM 731 C ALA A 51 14.535 19.370 -2.988 1.00 0.00 C ATOM 732 O ALA A 51 14.303 20.568 -3.157 1.00 0.00 O ATOM 733 CB ALA A 51 16.195 18.251 -1.490 1.00 0.00 C ATOM 0 H ALA A 51 14.208 16.870 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 51 14.679 19.630 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.916 19.028 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.378 17.907 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.304 17.415 -2.180 1.00 0.00 H new ATOM 739 N VAL A 52 14.585 18.495 -3.988 1.00 0.00 N ATOM 740 CA VAL A 52 14.363 18.901 -5.371 1.00 0.00 C ATOM 741 C VAL A 52 13.112 19.763 -5.497 1.00 0.00 C ATOM 742 O VAL A 52 13.156 20.865 -6.044 1.00 0.00 O ATOM 743 CB VAL A 52 14.228 17.679 -6.299 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.993 18.123 -7.735 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.462 16.796 -6.200 1.00 0.00 C ATOM 0 H VAL A 52 14.777 17.501 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 52 15.233 19.484 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 52 13.365 17.095 -5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.900 17.247 -8.376 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.077 18.711 -7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.834 18.730 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.349 15.938 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.343 17.367 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.580 16.449 -5.173 1.00 0.00 H new ATOM 755 N LYS A 53 11.996 19.254 -4.986 1.00 0.00 N ATOM 756 CA LYS A 53 10.731 19.977 -5.039 1.00 0.00 C ATOM 757 C LYS A 53 10.853 21.338 -4.363 1.00 0.00 C ATOM 758 O LYS A 53 10.591 22.374 -4.975 1.00 0.00 O ATOM 759 CB LYS A 53 9.624 19.160 -4.368 1.00 0.00 C ATOM 760 CG LYS A 53 8.891 18.231 -5.321 1.00 0.00 C ATOM 761 CD LYS A 53 7.693 18.917 -5.956 1.00 0.00 C ATOM 762 CE LYS A 53 6.927 17.971 -6.867 1.00 0.00 C ATOM 763 NZ LYS A 53 6.302 16.853 -6.107 1.00 0.00 N ATOM 0 H LYS A 53 11.942 18.343 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 53 10.475 20.133 -6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.058 18.570 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.905 19.842 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.575 17.895 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.560 17.343 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.029 19.289 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.029 19.782 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.154 18.526 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.603 17.565 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.847 16.194 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.034 16.349 -5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.589 17.234 -5.453 1.00 0.00 H new ATOM 777 N LYS A 54 11.255 21.331 -3.096 1.00 0.00 N ATOM 778 CA LYS A 54 11.415 22.565 -2.336 1.00 0.00 C ATOM 779 C LYS A 54 11.992 23.672 -3.212 1.00 0.00 C ATOM 780 O LYS A 54 11.414 24.753 -3.323 1.00 0.00 O ATOM 781 CB LYS A 54 12.325 22.329 -1.128 1.00 0.00 C ATOM 782 CG LYS A 54 11.586 21.835 0.103 1.00 0.00 C ATOM 783 CD LYS A 54 12.516 21.102 1.055 1.00 0.00 C ATOM 784 CE LYS A 54 11.833 20.804 2.381 1.00 0.00 C ATOM 785 NZ LYS A 54 12.428 19.617 3.056 1.00 0.00 N ATOM 0 H LYS A 54 11.476 20.483 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 54 10.431 22.878 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.091 21.602 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.839 23.259 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.129 22.680 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.776 21.171 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.846 20.170 0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.407 21.704 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.914 21.672 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.770 20.631 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.755 19.241 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.639 18.885 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.306 19.896 3.538 1.00 0.00 H new ATOM 799 N MET A 55 13.134 23.395 -3.834 1.00 0.00 N ATOM 800 CA MET A 55 13.787 24.367 -4.702 1.00 0.00 C ATOM 801 C MET A 55 12.850 24.811 -5.822 1.00 0.00 C ATOM 802 O MET A 55 12.725 26.003 -6.102 1.00 0.00 O ATOM 803 CB MET A 55 15.066 23.774 -5.297 1.00 0.00 C ATOM 804 CG MET A 55 16.111 23.415 -4.253 1.00 0.00 C ATOM 805 SD MET A 55 17.236 24.779 -3.899 1.00 0.00 S ATOM 806 CE MET A 55 18.795 24.081 -4.437 1.00 0.00 C ATOM 0 H MET A 55 13.626 22.505 -3.753 1.00 0.00 H new ATOM 0 HA MET A 55 14.045 25.238 -4.100 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.812 22.880 -5.867 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.496 24.488 -5.999 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.611 23.113 -3.333 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.685 22.556 -4.600 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.592 24.808 -4.281 1.00 0.00 H new ATOM 0 HE2 MET A 55 19.008 23.180 -3.862 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.735 23.830 -5.496 1.00 0.00 H new ATOM 816 N ALA A 56 12.195 23.845 -6.457 1.00 0.00 N ATOM 817 CA ALA A 56 11.269 24.138 -7.544 1.00 0.00 C ATOM 818 C ALA A 56 10.280 25.227 -7.145 1.00 0.00 C ATOM 819 O ALA A 56 10.161 26.250 -7.819 1.00 0.00 O ATOM 820 CB ALA A 56 10.528 22.875 -7.960 1.00 0.00 C ATOM 0 H ALA A 56 12.288 22.853 -6.238 1.00 0.00 H new ATOM 0 HA ALA A 56 11.847 24.503 -8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.840 23.108 -8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.245 22.126 -8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.968 22.485 -7.110 1.00 0.00 H new ATOM 826 N LYS A 57 9.570 25.001 -6.044 1.00 0.00 N ATOM 827 CA LYS A 57 8.591 25.963 -5.553 1.00 0.00 C ATOM 828 C LYS A 57 9.110 27.390 -5.699 1.00 0.00 C ATOM 829 O LYS A 57 8.505 28.213 -6.384 1.00 0.00 O ATOM 830 CB LYS A 57 8.255 25.678 -4.088 1.00 0.00 C ATOM 831 CG LYS A 57 7.246 24.558 -3.902 1.00 0.00 C ATOM 832 CD LYS A 57 7.270 24.016 -2.482 1.00 0.00 C ATOM 833 CE LYS A 57 6.803 22.569 -2.431 1.00 0.00 C ATOM 834 NZ LYS A 57 7.819 21.638 -2.995 1.00 0.00 N ATOM 0 H LYS A 57 9.655 24.159 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 57 7.686 25.861 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.172 25.422 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.865 26.587 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.247 24.925 -4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.462 23.752 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.281 24.088 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.631 24.629 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.590 22.292 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.870 22.469 -2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.790 20.737 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.613 21.467 -4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.765 22.060 -2.903 1.00 0.00 H new ATOM 848 N ALA A 58 10.234 27.675 -5.050 1.00 0.00 N ATOM 849 CA ALA A 58 10.836 29.001 -5.110 1.00 0.00 C ATOM 850 C ALA A 58 10.887 29.516 -6.545 1.00 0.00 C ATOM 851 O ALA A 58 10.703 30.708 -6.793 1.00 0.00 O ATOM 852 CB ALA A 58 12.232 28.975 -4.507 1.00 0.00 C ATOM 0 H ALA A 58 10.746 27.005 -4.476 1.00 0.00 H new ATOM 0 HA ALA A 58 10.214 29.682 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.669 29.972 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.173 28.658 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.856 28.276 -5.064 1.00 0.00 H new ATOM 858 N ILE A 59 11.138 28.611 -7.485 1.00 0.00 N ATOM 859 CA ILE A 59 11.213 28.975 -8.894 1.00 0.00 C ATOM 860 C ILE A 59 9.829 29.279 -9.457 1.00 0.00 C ATOM 861 O ILE A 59 9.599 30.348 -10.022 1.00 0.00 O ATOM 862 CB ILE A 59 11.861 27.856 -9.731 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.290 27.594 -9.251 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.852 28.226 -11.207 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.884 26.312 -9.794 1.00 0.00 C ATOM 0 H ILE A 59 11.293 27.621 -7.296 1.00 0.00 H new ATOM 0 HA ILE A 59 11.833 29.869 -8.957 1.00 0.00 H new ATOM 0 HB ILE A 59 11.281 26.943 -9.602 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.923 28.431 -9.545 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.298 27.556 -8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.313 27.426 -11.786 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.824 28.369 -11.540 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.412 29.149 -11.354 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.898 26.191 -9.413 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.274 25.466 -9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.909 26.355 -10.883 1.00 0.00 H new ATOM 877 N MET A 60 8.910 28.332 -9.298 1.00 0.00 N ATOM 878 CA MET A 60 7.547 28.500 -9.788 1.00 0.00 C ATOM 879 C MET A 60 7.051 29.921 -9.540 1.00 0.00 C ATOM 880 O MET A 60 6.227 30.440 -10.291 1.00 0.00 O ATOM 881 CB MET A 60 6.612 27.495 -9.113 1.00 0.00 C ATOM 882 CG MET A 60 6.899 26.050 -9.488 1.00 0.00 C ATOM 883 SD MET A 60 5.994 25.520 -10.954 1.00 0.00 S ATOM 884 CE MET A 60 4.690 24.542 -10.212 1.00 0.00 C ATOM 0 H MET A 60 9.085 27.441 -8.834 1.00 0.00 H new ATOM 0 HA MET A 60 7.549 28.318 -10.863 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.694 27.604 -8.032 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.582 27.733 -9.380 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.968 25.930 -9.663 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.638 25.403 -8.651 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.811 23.497 -10.498 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.742 24.629 -9.127 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.722 24.903 -10.559 1.00 0.00 H new ATOM 894 N ALA A 61 7.559 30.543 -8.481 1.00 0.00 N ATOM 895 CA ALA A 61 7.168 31.904 -8.135 1.00 0.00 C ATOM 896 C ALA A 61 8.128 32.922 -8.742 1.00 0.00 C ATOM 897 O ALA A 61 7.738 33.733 -9.582 1.00 0.00 O ATOM 898 CB ALA A 61 7.108 32.068 -6.623 1.00 0.00 C ATOM 0 H ALA A 61 8.242 30.126 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 61 6.176 32.087 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.815 33.089 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.377 31.372 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.089 31.860 -6.195 1.00 0.00 H new ATOM 904 N ASP A 62 9.383 32.874 -8.310 1.00 0.00 N ATOM 905 CA ASP A 62 10.399 33.792 -8.812 1.00 0.00 C ATOM 906 C ASP A 62 11.268 33.117 -9.869 1.00 0.00 C ATOM 907 O ASP A 62 11.907 32.094 -9.622 1.00 0.00 O ATOM 908 CB ASP A 62 11.273 34.296 -7.663 1.00 0.00 C ATOM 909 CG ASP A 62 10.481 35.074 -6.631 1.00 0.00 C ATOM 910 OD1 ASP A 62 9.619 35.884 -7.032 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.722 34.874 -5.422 1.00 0.00 O ATOM 0 H ASP A 62 9.721 32.210 -7.614 1.00 0.00 H new ATOM 0 HA ASP A 62 9.891 34.640 -9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.758 33.448 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.064 34.930 -8.063 1.00 0.00 H new ATOM 916 N PRO A 63 11.291 33.700 -11.077 1.00 0.00 N ATOM 917 CA PRO A 63 12.077 33.172 -12.196 1.00 0.00 C ATOM 918 C PRO A 63 13.577 33.335 -11.979 1.00 0.00 C ATOM 919 O PRO A 63 14.363 32.452 -12.322 1.00 0.00 O ATOM 920 CB PRO A 63 11.613 34.017 -13.385 1.00 0.00 C ATOM 921 CG PRO A 63 11.133 35.291 -12.780 1.00 0.00 C ATOM 922 CD PRO A 63 10.554 34.921 -11.442 1.00 0.00 C ATOM 0 HA PRO A 63 11.925 32.101 -12.331 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.428 34.194 -14.087 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.818 33.518 -13.939 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.951 36.003 -12.668 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.383 35.765 -13.413 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.700 35.713 -10.708 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.481 34.739 -11.505 1.00 0.00 H new ATOM 930 N ASN A 64 13.968 34.469 -11.408 1.00 0.00 N ATOM 931 CA ASN A 64 15.376 34.747 -11.145 1.00 0.00 C ATOM 932 C ASN A 64 16.032 33.583 -10.410 1.00 0.00 C ATOM 933 O ASN A 64 17.216 33.301 -10.601 1.00 0.00 O ATOM 934 CB ASN A 64 15.519 36.030 -10.324 1.00 0.00 C ATOM 935 CG ASN A 64 15.013 37.251 -11.066 1.00 0.00 C ATOM 936 OD1 ASN A 64 15.131 37.343 -12.288 1.00 0.00 O ATOM 937 ND2 ASN A 64 14.445 38.199 -10.328 1.00 0.00 N ATOM 0 H ASN A 64 13.330 35.211 -11.118 1.00 0.00 H new ATOM 0 HA ASN A 64 15.880 34.879 -12.102 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.969 35.923 -9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.567 36.176 -10.063 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.086 39.044 -10.772 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.368 38.081 -9.318 1.00 0.00 H new ATOM 944 N LYS A 65 15.256 32.908 -9.568 1.00 0.00 N ATOM 945 CA LYS A 65 15.760 31.773 -8.805 1.00 0.00 C ATOM 946 C LYS A 65 16.083 30.599 -9.724 1.00 0.00 C ATOM 947 O LYS A 65 17.086 29.911 -9.538 1.00 0.00 O ATOM 948 CB LYS A 65 14.734 31.344 -7.754 1.00 0.00 C ATOM 949 CG LYS A 65 14.478 32.396 -6.688 1.00 0.00 C ATOM 950 CD LYS A 65 15.404 32.218 -5.496 1.00 0.00 C ATOM 951 CE LYS A 65 16.685 33.021 -5.661 1.00 0.00 C ATOM 952 NZ LYS A 65 16.408 34.454 -5.954 1.00 0.00 N ATOM 0 H LYS A 65 14.275 33.128 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 65 16.677 32.082 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.794 31.107 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.080 30.429 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.619 33.389 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.441 32.335 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.892 32.531 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.648 31.162 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.281 32.945 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.280 32.594 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.092 35.051 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.493 34.622 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.444 34.692 -5.643 1.00 0.00 H new ATOM 966 N ALA A 66 15.227 30.378 -10.717 1.00 0.00 N ATOM 967 CA ALA A 66 15.424 29.290 -11.667 1.00 0.00 C ATOM 968 C ALA A 66 16.888 29.179 -12.078 1.00 0.00 C ATOM 969 O ALA A 66 17.570 28.216 -11.726 1.00 0.00 O ATOM 970 CB ALA A 66 14.544 29.493 -12.891 1.00 0.00 C ATOM 0 H ALA A 66 14.391 30.938 -10.884 1.00 0.00 H new ATOM 0 HA ALA A 66 15.139 28.358 -11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.701 28.673 -13.592 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.497 29.515 -12.587 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.802 30.436 -13.372 1.00 0.00 H new ATOM 976 N ASP A 67 17.365 30.168 -12.825 1.00 0.00 N ATOM 977 CA ASP A 67 18.749 30.181 -13.285 1.00 0.00 C ATOM 978 C ASP A 67 19.687 29.669 -12.196 1.00 0.00 C ATOM 979 O ASP A 67 20.384 28.672 -12.384 1.00 0.00 O ATOM 980 CB ASP A 67 19.157 31.594 -13.703 1.00 0.00 C ATOM 981 CG ASP A 67 18.498 32.663 -12.852 1.00 0.00 C ATOM 982 OD1 ASP A 67 17.298 32.935 -13.065 1.00 0.00 O ATOM 983 OD2 ASP A 67 19.183 33.225 -11.973 1.00 0.00 O ATOM 0 H ASP A 67 16.814 30.972 -13.125 1.00 0.00 H new ATOM 0 HA ASP A 67 18.826 29.519 -14.148 1.00 0.00 H new ATOM 0 HB2 ASP A 67 20.240 31.693 -13.631 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.892 31.751 -14.748 1.00 0.00 H new ATOM 988 N GLU A 68 19.700 30.358 -11.060 1.00 0.00 N ATOM 989 CA GLU A 68 20.554 29.973 -9.943 1.00 0.00 C ATOM 990 C GLU A 68 20.379 28.495 -9.608 1.00 0.00 C ATOM 991 O GLU A 68 21.323 27.710 -9.696 1.00 0.00 O ATOM 992 CB GLU A 68 20.239 30.827 -8.713 1.00 0.00 C ATOM 993 CG GLU A 68 21.246 30.666 -7.586 1.00 0.00 C ATOM 994 CD GLU A 68 20.869 29.559 -6.621 1.00 0.00 C ATOM 995 OE1 GLU A 68 20.141 28.633 -7.034 1.00 0.00 O ATOM 996 OE2 GLU A 68 21.304 29.620 -5.451 1.00 0.00 O ATOM 0 H GLU A 68 19.129 31.186 -10.889 1.00 0.00 H new ATOM 0 HA GLU A 68 21.590 30.141 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.202 31.875 -9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.248 30.565 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 68 22.228 30.455 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.329 31.606 -7.040 1.00 0.00 H new ATOM 1003 N VAL A 69 19.163 28.122 -9.222 1.00 0.00 N ATOM 1004 CA VAL A 69 18.862 26.738 -8.874 1.00 0.00 C ATOM 1005 C VAL A 69 19.420 25.776 -9.916 1.00 0.00 C ATOM 1006 O VAL A 69 20.252 24.922 -9.605 1.00 0.00 O ATOM 1007 CB VAL A 69 17.344 26.510 -8.741 1.00 0.00 C ATOM 1008 CG1 VAL A 69 17.041 25.032 -8.549 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.781 27.332 -7.592 1.00 0.00 C ATOM 0 H VAL A 69 18.370 28.759 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 69 19.337 26.543 -7.912 1.00 0.00 H new ATOM 0 HB VAL A 69 16.862 26.838 -9.662 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.964 24.890 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.409 24.471 -9.408 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.533 24.674 -7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.708 27.159 -7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.266 27.037 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.965 28.390 -7.777 1.00 0.00 H new ATOM 1019 N TYR A 70 18.958 25.919 -11.153 1.00 0.00 N ATOM 1020 CA TYR A 70 19.410 25.060 -12.242 1.00 0.00 C ATOM 1021 C TYR A 70 20.877 24.681 -12.063 1.00 0.00 C ATOM 1022 O TYR A 70 21.246 23.511 -12.169 1.00 0.00 O ATOM 1023 CB TYR A 70 19.213 25.761 -13.587 1.00 0.00 C ATOM 1024 CG TYR A 70 17.772 25.805 -14.041 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.961 24.680 -13.955 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.220 26.971 -14.558 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.644 24.715 -14.369 1.00 0.00 C ATOM 1028 CE2 TYR A 70 15.904 27.016 -14.973 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.119 25.885 -14.877 1.00 0.00 C ATOM 1030 OH TYR A 70 13.808 25.925 -15.291 1.00 0.00 O ATOM 0 H TYR A 70 18.271 26.621 -11.427 1.00 0.00 H new ATOM 0 HA TYR A 70 18.813 24.148 -12.224 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.594 26.780 -13.516 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.808 25.250 -14.344 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.368 23.762 -13.557 1.00 0.00 H new ATOM 0 HD2 TYR A 70 17.831 27.858 -14.637 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.028 23.831 -14.295 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.491 27.931 -15.371 1.00 0.00 H new ATOM 0 HH TYR A 70 13.467 25.011 -15.386 1.00 0.00 H new ATOM 1040 N LYS A 71 21.711 25.679 -11.791 1.00 0.00 N ATOM 1041 CA LYS A 71 23.138 25.454 -11.595 1.00 0.00 C ATOM 1042 C LYS A 71 23.386 24.560 -10.384 1.00 0.00 C ATOM 1043 O LYS A 71 24.185 23.625 -10.443 1.00 0.00 O ATOM 1044 CB LYS A 71 23.866 26.788 -11.416 1.00 0.00 C ATOM 1045 CG LYS A 71 24.360 27.390 -12.720 1.00 0.00 C ATOM 1046 CD LYS A 71 23.211 27.685 -13.669 1.00 0.00 C ATOM 1047 CE LYS A 71 23.583 28.759 -14.680 1.00 0.00 C ATOM 1048 NZ LYS A 71 23.758 30.090 -14.035 1.00 0.00 N ATOM 0 H LYS A 71 21.422 26.653 -11.701 1.00 0.00 H new ATOM 0 HA LYS A 71 23.527 24.952 -12.481 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.195 27.496 -10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.715 26.643 -10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.907 28.310 -12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 71 25.060 26.703 -13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.928 26.773 -14.194 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.340 28.007 -13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 71 24.506 28.477 -15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 71 22.807 28.824 -15.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.623 30.839 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.058 30.202 -13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 24.716 30.159 -13.636 1.00 0.00 H new ATOM 1062 N LYS A 72 22.696 24.853 -9.287 1.00 0.00 N ATOM 1063 CA LYS A 72 22.839 24.075 -8.062 1.00 0.00 C ATOM 1064 C LYS A 72 22.582 22.595 -8.325 1.00 0.00 C ATOM 1065 O LYS A 72 23.435 21.750 -8.053 1.00 0.00 O ATOM 1066 CB LYS A 72 21.874 24.589 -6.992 1.00 0.00 C ATOM 1067 CG LYS A 72 22.443 25.718 -6.151 1.00 0.00 C ATOM 1068 CD LYS A 72 22.508 27.019 -6.934 1.00 0.00 C ATOM 1069 CE LYS A 72 23.805 27.132 -7.720 1.00 0.00 C ATOM 1070 NZ LYS A 72 24.908 27.692 -6.891 1.00 0.00 N ATOM 0 H LYS A 72 22.032 25.624 -9.221 1.00 0.00 H new ATOM 0 HA LYS A 72 23.862 24.190 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.959 24.932 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.598 23.763 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.827 25.857 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.442 25.449 -5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.661 27.076 -7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.422 27.862 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.092 26.148 -8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 72 23.647 27.767 -8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 25.775 27.753 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 24.645 28.642 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 25.076 27.073 -6.072 1.00 0.00 H new ATOM 1084 N TRP A 73 21.403 22.288 -8.855 1.00 0.00 N ATOM 1085 CA TRP A 73 21.036 20.909 -9.156 1.00 0.00 C ATOM 1086 C TRP A 73 22.188 20.174 -9.832 1.00 0.00 C ATOM 1087 O TRP A 73 22.759 19.243 -9.266 1.00 0.00 O ATOM 1088 CB TRP A 73 19.796 20.874 -10.051 1.00 0.00 C ATOM 1089 CG TRP A 73 18.512 21.023 -9.292 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.267 20.628 -8.008 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.296 21.607 -9.773 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.973 20.931 -7.661 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.356 21.533 -8.726 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.910 22.187 -10.984 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.057 22.016 -8.857 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.620 22.666 -11.113 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.706 22.579 -10.054 1.00 0.00 C ATOM 0 H TRP A 73 20.685 22.975 -9.085 1.00 0.00 H new ATOM 0 HA TRP A 73 20.811 20.405 -8.216 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.868 21.672 -10.790 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.779 19.932 -10.599 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.985 20.148 -7.360 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.541 20.739 -6.757 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.608 22.260 -11.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.351 21.949 -8.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.311 23.115 -12.045 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.705 22.964 -10.185 1.00 0.00 H new ATOM 1108 N ALA A 74 22.523 20.598 -11.046 1.00 0.00 N ATOM 1109 CA ALA A 74 23.609 19.981 -11.798 1.00 0.00 C ATOM 1110 C ALA A 74 24.803 19.686 -10.896 1.00 0.00 C ATOM 1111 O ALA A 74 25.418 18.624 -10.992 1.00 0.00 O ATOM 1112 CB ALA A 74 24.026 20.877 -12.954 1.00 0.00 C ATOM 0 H ALA A 74 22.058 21.366 -11.530 1.00 0.00 H new ATOM 0 HA ALA A 74 23.248 19.034 -12.199 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.838 20.404 -13.507 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.176 21.032 -13.619 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.363 21.838 -12.566 1.00 0.00 H new ATOM 1118 N ASP A 75 25.126 20.633 -10.023 1.00 0.00 N ATOM 1119 CA ASP A 75 26.247 20.475 -9.103 1.00 0.00 C ATOM 1120 C ASP A 75 26.015 19.298 -8.160 1.00 0.00 C ATOM 1121 O ASP A 75 26.908 18.480 -7.938 1.00 0.00 O ATOM 1122 CB ASP A 75 26.458 21.757 -8.297 1.00 0.00 C ATOM 1123 CG ASP A 75 27.906 21.954 -7.891 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.662 22.572 -8.670 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.282 21.492 -6.794 1.00 0.00 O ATOM 0 H ASP A 75 24.628 21.518 -9.933 1.00 0.00 H new ATOM 0 HA ASP A 75 27.142 20.274 -9.692 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.130 22.612 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.834 21.728 -7.404 1.00 0.00 H new ATOM 1130 N LYS A 76 24.809 19.220 -7.606 1.00 0.00 N ATOM 1131 CA LYS A 76 24.458 18.145 -6.687 1.00 0.00 C ATOM 1132 C LYS A 76 24.747 16.782 -7.308 1.00 0.00 C ATOM 1133 O LYS A 76 25.269 15.886 -6.645 1.00 0.00 O ATOM 1134 CB LYS A 76 22.979 18.238 -6.302 1.00 0.00 C ATOM 1135 CG LYS A 76 22.615 19.532 -5.595 1.00 0.00 C ATOM 1136 CD LYS A 76 23.197 19.584 -4.193 1.00 0.00 C ATOM 1137 CE LYS A 76 22.638 20.755 -3.400 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.421 21.010 -2.159 1.00 0.00 N ATOM 0 H LYS A 76 24.059 19.889 -7.778 1.00 0.00 H new ATOM 0 HA LYS A 76 25.069 18.253 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.371 18.142 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.727 17.397 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.982 20.380 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.530 19.627 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.977 18.652 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.282 19.668 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.642 21.650 -4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.599 20.554 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 23.008 21.816 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 23.396 20.165 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.407 21.228 -2.409 1.00 0.00 H new ATOM 1152 N GLY A 77 24.406 16.633 -8.584 1.00 0.00 N ATOM 1153 CA GLY A 77 24.639 15.377 -9.273 1.00 0.00 C ATOM 1154 C GLY A 77 23.350 14.671 -9.642 1.00 0.00 C ATOM 1155 O GLY A 77 23.236 13.453 -9.495 1.00 0.00 O ATOM 0 H GLY A 77 23.972 17.360 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.219 15.564 -10.177 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.239 14.724 -8.639 1.00 0.00 H new ATOM 1159 N TYR A 78 22.375 15.435 -10.121 1.00 0.00 N ATOM 1160 CA TYR A 78 21.085 14.876 -10.509 1.00 0.00 C ATOM 1161 C TYR A 78 21.014 14.666 -12.018 1.00 0.00 C ATOM 1162 O TYR A 78 21.879 15.127 -12.763 1.00 0.00 O ATOM 1163 CB TYR A 78 19.950 15.796 -10.056 1.00 0.00 C ATOM 1164 CG TYR A 78 19.855 15.946 -8.555 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.582 14.852 -7.743 1.00 0.00 C ATOM 1166 CD2 TYR A 78 20.037 17.183 -7.948 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.494 14.985 -6.371 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.952 17.325 -6.576 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.680 16.223 -5.792 1.00 0.00 C ATOM 1170 OH TYR A 78 19.592 16.361 -4.426 1.00 0.00 O ATOM 0 H TYR A 78 22.453 16.444 -10.250 1.00 0.00 H new ATOM 0 HA TYR A 78 20.975 13.908 -10.021 1.00 0.00 H new ATOM 0 HB2 TYR A 78 20.091 16.780 -10.503 1.00 0.00 H new ATOM 0 HB3 TYR A 78 19.005 15.407 -10.434 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.436 13.881 -8.192 1.00 0.00 H new ATOM 0 HD2 TYR A 78 20.248 18.048 -8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 78 19.281 14.124 -5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 78 20.098 18.293 -6.120 1.00 0.00 H new ATOM 0 HH TYR A 78 19.750 17.297 -4.181 1.00 0.00 H new ATOM 1180 N THR A 79 19.975 13.966 -12.463 1.00 0.00 N ATOM 1181 CA THR A 79 19.789 13.694 -13.883 1.00 0.00 C ATOM 1182 C THR A 79 18.312 13.730 -14.261 1.00 0.00 C ATOM 1183 O THR A 79 17.447 13.380 -13.458 1.00 0.00 O ATOM 1184 CB THR A 79 20.373 12.323 -14.273 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.962 11.975 -15.600 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.924 11.246 -13.299 1.00 0.00 C ATOM 0 H THR A 79 19.250 13.577 -11.860 1.00 0.00 H new ATOM 0 HA THR A 79 20.320 14.475 -14.427 1.00 0.00 H new ATOM 0 HB THR A 79 21.460 12.393 -14.236 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.339 11.103 -15.841 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.349 10.287 -13.595 1.00 0.00 H new ATOM 0 HG22 THR A 79 20.264 11.499 -12.295 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.836 11.179 -13.307 1.00 0.00 H new ATOM 1194 N LEU A 80 18.031 14.155 -15.488 1.00 0.00 N ATOM 1195 CA LEU A 80 16.658 14.236 -15.973 1.00 0.00 C ATOM 1196 C LEU A 80 15.821 13.080 -15.434 1.00 0.00 C ATOM 1197 O LEU A 80 14.722 13.283 -14.916 1.00 0.00 O ATOM 1198 CB LEU A 80 16.635 14.228 -17.502 1.00 0.00 C ATOM 1199 CG LEU A 80 17.417 15.347 -18.191 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.370 15.179 -19.702 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.868 16.708 -17.787 1.00 0.00 C ATOM 0 H LEU A 80 18.735 14.449 -16.165 1.00 0.00 H new ATOM 0 HA LEU A 80 16.227 15.171 -15.614 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.029 13.272 -17.846 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.597 14.282 -17.830 1.00 0.00 H new ATOM 0 HG LEU A 80 18.457 15.287 -17.871 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.932 15.984 -20.175 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.810 14.220 -19.975 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.334 15.212 -20.040 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.436 17.492 -18.287 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.820 16.778 -18.077 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.954 16.829 -16.707 1.00 0.00 H new ATOM 1213 N THR A 81 16.348 11.866 -15.558 1.00 0.00 N ATOM 1214 CA THR A 81 15.651 10.678 -15.083 1.00 0.00 C ATOM 1215 C THR A 81 15.117 10.882 -13.670 1.00 0.00 C ATOM 1216 O THR A 81 13.920 10.737 -13.423 1.00 0.00 O ATOM 1217 CB THR A 81 16.571 9.443 -15.099 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.122 9.259 -16.407 1.00 0.00 O ATOM 1219 CG2 THR A 81 15.808 8.194 -14.684 1.00 0.00 C ATOM 0 H THR A 81 17.256 11.680 -15.984 1.00 0.00 H new ATOM 0 HA THR A 81 14.816 10.508 -15.763 1.00 0.00 H new ATOM 0 HB THR A 81 17.378 9.610 -14.386 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.707 8.473 -16.408 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.479 7.335 -14.703 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.415 8.326 -13.676 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.983 8.025 -15.376 1.00 0.00 H new ATOM 1227 N GLN A 82 16.011 11.218 -12.747 1.00 0.00 N ATOM 1228 CA GLN A 82 15.628 11.442 -11.358 1.00 0.00 C ATOM 1229 C GLN A 82 14.950 12.798 -11.192 1.00 0.00 C ATOM 1230 O GLN A 82 13.810 12.880 -10.737 1.00 0.00 O ATOM 1231 CB GLN A 82 16.855 11.357 -10.448 1.00 0.00 C ATOM 1232 CG GLN A 82 17.658 10.078 -10.627 1.00 0.00 C ATOM 1233 CD GLN A 82 16.987 8.875 -9.993 1.00 0.00 C ATOM 1234 OE1 GLN A 82 16.148 8.220 -10.611 1.00 0.00 O ATOM 1235 NE2 GLN A 82 17.355 8.578 -8.752 1.00 0.00 N ATOM 0 H GLN A 82 17.006 11.341 -12.935 1.00 0.00 H new ATOM 0 HA GLN A 82 14.919 10.665 -11.073 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.502 12.212 -10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.533 11.431 -9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.803 9.890 -11.691 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.647 10.210 -10.189 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.055 9.149 -8.277 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.938 7.779 -8.274 1.00 0.00 H new ATOM 1244 N MET A 83 15.660 13.858 -11.563 1.00 0.00 N ATOM 1245 CA MET A 83 15.125 15.211 -11.456 1.00 0.00 C ATOM 1246 C MET A 83 13.630 15.229 -11.754 1.00 0.00 C ATOM 1247 O MET A 83 12.816 15.518 -10.876 1.00 0.00 O ATOM 1248 CB MET A 83 15.860 16.150 -12.414 1.00 0.00 C ATOM 1249 CG MET A 83 15.283 17.556 -12.449 1.00 0.00 C ATOM 1250 SD MET A 83 15.271 18.342 -10.827 1.00 0.00 S ATOM 1251 CE MET A 83 17.026 18.552 -10.539 1.00 0.00 C ATOM 0 H MET A 83 16.606 13.807 -11.940 1.00 0.00 H new ATOM 0 HA MET A 83 15.277 15.556 -10.433 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.909 16.204 -12.123 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.829 15.728 -13.419 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.865 18.166 -13.140 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.265 17.517 -12.837 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.195 18.809 -9.493 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.547 17.624 -10.773 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.406 19.352 -11.175 1.00 0.00 H new ATOM 1261 N SER A 84 13.275 14.921 -12.997 1.00 0.00 N ATOM 1262 CA SER A 84 11.877 14.906 -13.411 1.00 0.00 C ATOM 1263 C SER A 84 11.035 14.068 -12.455 1.00 0.00 C ATOM 1264 O SER A 84 10.143 14.582 -11.781 1.00 0.00 O ATOM 1265 CB SER A 84 11.750 14.358 -14.834 1.00 0.00 C ATOM 1266 OG SER A 84 12.743 14.908 -15.683 1.00 0.00 O ATOM 0 H SER A 84 13.936 14.678 -13.735 1.00 0.00 H new ATOM 0 HA SER A 84 11.507 15.931 -13.389 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.841 13.272 -14.818 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.761 14.589 -15.229 1.00 0.00 H new ATOM 0 HG SER A 84 12.637 15.881 -15.722 1.00 0.00 H new ATOM 1272 N ASN A 85 11.326 12.772 -12.401 1.00 0.00 N ATOM 1273 CA ASN A 85 10.596 11.860 -11.528 1.00 0.00 C ATOM 1274 C ASN A 85 10.251 12.535 -10.203 1.00 0.00 C ATOM 1275 O ASN A 85 9.255 12.197 -9.563 1.00 0.00 O ATOM 1276 CB ASN A 85 11.421 10.598 -11.270 1.00 0.00 C ATOM 1277 CG ASN A 85 11.174 9.523 -12.312 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.662 8.447 -12.001 1.00 0.00 O ATOM 1279 ND2 ASN A 85 11.538 9.811 -13.556 1.00 0.00 N ATOM 0 H ASN A 85 12.062 12.330 -12.952 1.00 0.00 H new ATOM 0 HA ASN A 85 9.668 11.583 -12.028 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.480 10.855 -11.261 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.180 10.205 -10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.397 9.128 -14.300 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.959 10.716 -13.768 1.00 0.00 H new ATOM 1286 N PHE A 86 11.081 13.490 -9.799 1.00 0.00 N ATOM 1287 CA PHE A 86 10.865 14.213 -8.551 1.00 0.00 C ATOM 1288 C PHE A 86 9.919 15.392 -8.761 1.00 0.00 C ATOM 1289 O PHE A 86 9.019 15.632 -7.956 1.00 0.00 O ATOM 1290 CB PHE A 86 12.198 14.708 -7.986 1.00 0.00 C ATOM 1291 CG PHE A 86 13.188 13.607 -7.732 1.00 0.00 C ATOM 1292 CD1 PHE A 86 12.780 12.407 -7.173 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.526 13.773 -8.052 1.00 0.00 C ATOM 1294 CE1 PHE A 86 13.688 11.392 -6.938 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.438 12.762 -7.820 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.019 11.570 -7.261 1.00 0.00 C ATOM 0 H PHE A 86 11.910 13.782 -10.317 1.00 0.00 H new ATOM 0 HA PHE A 86 10.408 13.527 -7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.634 15.425 -8.682 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.013 15.241 -7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.740 12.263 -6.918 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.859 14.703 -8.488 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.357 10.461 -6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.478 12.903 -8.075 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.731 10.779 -7.077 1.00 0.00 H new ATOM 1306 N LEU A 87 10.130 16.124 -9.849 1.00 0.00 N ATOM 1307 CA LEU A 87 9.298 17.279 -10.167 1.00 0.00 C ATOM 1308 C LEU A 87 7.863 16.852 -10.460 1.00 0.00 C ATOM 1309 O LEU A 87 6.914 17.571 -10.147 1.00 0.00 O ATOM 1310 CB LEU A 87 9.873 18.032 -11.368 1.00 0.00 C ATOM 1311 CG LEU A 87 11.057 18.955 -11.077 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.689 19.438 -12.374 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.616 20.136 -10.225 1.00 0.00 C ATOM 0 H LEU A 87 10.870 15.938 -10.526 1.00 0.00 H new ATOM 0 HA LEU A 87 9.292 17.940 -9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.183 17.301 -12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.076 18.626 -11.814 1.00 0.00 H new ATOM 0 HG LEU A 87 11.805 18.390 -10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.530 20.094 -12.147 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.042 18.581 -12.948 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.949 19.986 -12.957 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.472 20.782 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.849 20.701 -10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.211 19.772 -9.281 1.00 0.00 H new ATOM 1325 N LYS A 88 7.712 15.677 -11.061 1.00 0.00 N ATOM 1326 CA LYS A 88 6.394 15.151 -11.393 1.00 0.00 C ATOM 1327 C LYS A 88 5.638 14.740 -10.133 1.00 0.00 C ATOM 1328 O LYS A 88 5.859 13.657 -9.590 1.00 0.00 O ATOM 1329 CB LYS A 88 6.523 13.953 -12.336 1.00 0.00 C ATOM 1330 CG LYS A 88 7.541 12.924 -11.877 1.00 0.00 C ATOM 1331 CD LYS A 88 7.180 11.528 -12.358 1.00 0.00 C ATOM 1332 CE LYS A 88 7.694 11.275 -13.767 1.00 0.00 C ATOM 1333 NZ LYS A 88 7.557 9.845 -14.159 1.00 0.00 N ATOM 0 H LYS A 88 8.487 15.070 -11.328 1.00 0.00 H new ATOM 0 HA LYS A 88 5.831 15.940 -11.892 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.550 13.471 -12.433 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.802 14.310 -13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.528 13.195 -12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.601 12.931 -10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.600 10.787 -11.678 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.097 11.403 -12.336 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.144 11.899 -14.472 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.741 11.570 -13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.918 9.714 -15.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.102 9.251 -13.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.555 9.570 -14.124 1.00 0.00 H new ATOM 1433 N TYR A 95 5.220 21.821 -12.538 1.00 0.00 N ATOM 1434 CA TYR A 95 6.617 22.193 -12.726 1.00 0.00 C ATOM 1435 C TYR A 95 7.090 21.838 -14.133 1.00 0.00 C ATOM 1436 O TYR A 95 8.240 21.446 -14.332 1.00 0.00 O ATOM 1437 CB TYR A 95 7.497 21.494 -11.689 1.00 0.00 C ATOM 1438 CG TYR A 95 7.046 21.718 -10.263 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.126 20.867 -9.663 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.542 22.779 -9.515 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.710 21.068 -8.361 1.00 0.00 C ATOM 1442 CE2 TYR A 95 7.133 22.986 -8.212 1.00 0.00 C ATOM 1443 CZ TYR A 95 6.217 22.129 -7.640 1.00 0.00 C ATOM 1444 OH TYR A 95 5.807 22.332 -6.342 1.00 0.00 O ATOM 0 HA TYR A 95 6.700 23.272 -12.595 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.506 20.424 -11.895 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.522 21.848 -11.797 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.729 20.034 -10.224 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.259 23.453 -9.960 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.992 20.398 -7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.529 23.815 -7.644 1.00 0.00 H new ATOM 0 HH TYR A 95 5.578 21.471 -5.933 1.00 0.00 H new ATOM 1454 N ASP A 96 6.195 21.980 -15.104 1.00 0.00 N ATOM 1455 CA ASP A 96 6.520 21.677 -16.493 1.00 0.00 C ATOM 1456 C ASP A 96 7.584 22.633 -17.023 1.00 0.00 C ATOM 1457 O ASP A 96 8.515 22.219 -17.714 1.00 0.00 O ATOM 1458 CB ASP A 96 5.264 21.759 -17.362 1.00 0.00 C ATOM 1459 CG ASP A 96 5.340 20.853 -18.576 1.00 0.00 C ATOM 1460 OD1 ASP A 96 6.390 20.854 -19.251 1.00 0.00 O ATOM 1461 OD2 ASP A 96 4.349 20.145 -18.850 1.00 0.00 O ATOM 0 H ASP A 96 5.239 22.303 -14.955 1.00 0.00 H new ATOM 0 HA ASP A 96 6.916 20.662 -16.535 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.394 21.488 -16.764 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.118 22.789 -17.689 1.00 0.00 H new ATOM 1466 N ARG A 97 7.438 23.913 -16.697 1.00 0.00 N ATOM 1467 CA ARG A 97 8.385 24.928 -17.142 1.00 0.00 C ATOM 1468 C ARG A 97 9.730 24.761 -16.443 1.00 0.00 C ATOM 1469 O ARG A 97 10.783 24.811 -17.079 1.00 0.00 O ATOM 1470 CB ARG A 97 7.829 26.328 -16.873 1.00 0.00 C ATOM 1471 CG ARG A 97 8.760 27.447 -17.309 1.00 0.00 C ATOM 1472 CD ARG A 97 8.005 28.750 -17.518 1.00 0.00 C ATOM 1473 NE ARG A 97 8.899 29.905 -17.531 1.00 0.00 N ATOM 1474 CZ ARG A 97 8.511 31.131 -17.862 1.00 0.00 C ATOM 1475 NH1 ARG A 97 7.251 31.362 -18.205 1.00 0.00 N ATOM 1476 NH2 ARG A 97 9.383 32.131 -17.850 1.00 0.00 N ATOM 0 H ARG A 97 6.673 24.272 -16.126 1.00 0.00 H new ATOM 0 HA ARG A 97 8.535 24.803 -18.214 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.876 26.437 -17.391 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.626 26.430 -15.807 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.535 27.591 -16.556 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.263 27.164 -18.234 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.458 28.705 -18.460 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.267 28.872 -16.726 1.00 0.00 H new ATOM 0 HE ARG A 97 9.875 29.762 -17.272 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.577 30.597 -18.215 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.956 32.305 -18.459 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.353 31.959 -17.586 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.083 33.072 -18.105 1.00 0.00 H new ATOM 1490 N VAL A 98 9.688 24.561 -15.129 1.00 0.00 N ATOM 1491 CA VAL A 98 10.903 24.386 -14.343 1.00 0.00 C ATOM 1492 C VAL A 98 11.791 23.299 -14.938 1.00 0.00 C ATOM 1493 O VAL A 98 12.995 23.491 -15.112 1.00 0.00 O ATOM 1494 CB VAL A 98 10.579 24.025 -12.881 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.855 23.726 -12.109 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.794 25.147 -12.217 1.00 0.00 C ATOM 0 H VAL A 98 8.825 24.516 -14.587 1.00 0.00 H new ATOM 0 HA VAL A 98 11.434 25.338 -14.366 1.00 0.00 H new ATOM 0 HB VAL A 98 9.961 23.127 -12.875 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.606 23.473 -11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.373 22.887 -12.573 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.502 24.603 -12.121 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.574 24.875 -11.185 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.384 26.063 -12.233 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.861 25.307 -12.757 1.00 0.00 H new ATOM 1506 N TYR A 99 11.189 22.156 -15.250 1.00 0.00 N ATOM 1507 CA TYR A 99 11.925 21.037 -15.825 1.00 0.00 C ATOM 1508 C TYR A 99 12.614 21.447 -17.122 1.00 0.00 C ATOM 1509 O TYR A 99 13.807 21.207 -17.307 1.00 0.00 O ATOM 1510 CB TYR A 99 10.983 19.860 -16.085 1.00 0.00 C ATOM 1511 CG TYR A 99 11.612 18.748 -16.894 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.685 18.020 -16.395 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.133 18.426 -18.159 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.263 17.005 -17.132 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.705 17.411 -18.901 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.769 16.703 -18.384 1.00 0.00 C ATOM 1517 OH TYR A 99 13.342 15.692 -19.121 1.00 0.00 O ATOM 0 H TYR A 99 10.193 21.981 -15.114 1.00 0.00 H new ATOM 0 HA TYR A 99 12.689 20.732 -15.110 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.646 19.457 -15.130 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.098 20.222 -16.608 1.00 0.00 H new ATOM 0 HD1 TYR A 99 13.074 18.252 -15.414 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.300 18.979 -18.568 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.098 16.450 -16.730 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.320 17.173 -19.882 1.00 0.00 H new ATOM 0 HH TYR A 99 12.875 15.607 -19.979 1.00 0.00 H new ATOM 1527 N ASN A 100 11.854 22.067 -18.019 1.00 0.00 N ATOM 1528 CA ASN A 100 12.391 22.511 -19.300 1.00 0.00 C ATOM 1529 C ASN A 100 13.732 23.214 -19.114 1.00 0.00 C ATOM 1530 O ASN A 100 14.762 22.747 -19.598 1.00 0.00 O ATOM 1531 CB ASN A 100 11.402 23.451 -19.992 1.00 0.00 C ATOM 1532 CG ASN A 100 10.062 22.790 -20.255 1.00 0.00 C ATOM 1533 OD1 ASN A 100 9.987 21.581 -20.474 1.00 0.00 O ATOM 1534 ND2 ASN A 100 8.997 23.583 -20.233 1.00 0.00 N ATOM 0 H ASN A 100 10.864 22.273 -17.882 1.00 0.00 H new ATOM 0 HA ASN A 100 12.546 21.632 -19.925 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.252 24.336 -19.373 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.828 23.791 -20.936 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.069 23.195 -20.402 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.107 24.580 -20.047 1.00 0.00 H new ATOM 1541 N GLY A 101 13.711 24.340 -18.406 1.00 0.00 N ATOM 1542 CA GLY A 101 14.931 25.089 -18.168 1.00 0.00 C ATOM 1543 C GLY A 101 16.123 24.188 -17.909 1.00 0.00 C ATOM 1544 O GLY A 101 17.090 24.193 -18.671 1.00 0.00 O ATOM 0 H GLY A 101 12.871 24.746 -17.993 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.139 25.723 -19.030 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.787 25.750 -17.314 1.00 0.00 H new ATOM 1548 N TYR A 102 16.055 23.415 -16.831 1.00 0.00 N ATOM 1549 CA TYR A 102 17.139 22.509 -16.471 1.00 0.00 C ATOM 1550 C TYR A 102 17.523 21.623 -17.653 1.00 0.00 C ATOM 1551 O TYR A 102 18.698 21.514 -18.005 1.00 0.00 O ATOM 1552 CB TYR A 102 16.731 21.640 -15.280 1.00 0.00 C ATOM 1553 CG TYR A 102 17.889 20.912 -14.637 1.00 0.00 C ATOM 1554 CD1 TYR A 102 19.060 21.583 -14.308 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.813 19.553 -14.359 1.00 0.00 C ATOM 1556 CE1 TYR A 102 20.122 20.922 -13.721 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.869 18.884 -13.770 1.00 0.00 C ATOM 1558 CZ TYR A 102 20.021 19.573 -13.453 1.00 0.00 C ATOM 1559 OH TYR A 102 21.076 18.910 -12.868 1.00 0.00 O ATOM 0 H TYR A 102 15.261 23.398 -16.191 1.00 0.00 H new ATOM 0 HA TYR A 102 18.005 23.111 -16.194 1.00 0.00 H new ATOM 0 HB2 TYR A 102 16.247 22.268 -14.532 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.992 20.910 -15.610 1.00 0.00 H new ATOM 0 HD1 TYR A 102 19.142 22.640 -14.515 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.913 19.010 -14.607 1.00 0.00 H new ATOM 0 HE1 TYR A 102 21.026 21.459 -13.474 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.793 17.828 -13.559 1.00 0.00 H new ATOM 0 HH TYR A 102 20.842 17.966 -12.746 1.00 0.00 H new ATOM 1569 N VAL A 103 16.524 20.994 -18.262 1.00 0.00 N ATOM 1570 CA VAL A 103 16.755 20.119 -19.406 1.00 0.00 C ATOM 1571 C VAL A 103 17.741 20.745 -20.386 1.00 0.00 C ATOM 1572 O VAL A 103 18.624 20.067 -20.911 1.00 0.00 O ATOM 1573 CB VAL A 103 15.441 19.804 -20.146 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.715 18.965 -21.385 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.463 19.099 -19.219 1.00 0.00 C ATOM 0 H VAL A 103 15.546 21.074 -17.983 1.00 0.00 H new ATOM 0 HA VAL A 103 17.174 19.192 -19.016 1.00 0.00 H new ATOM 0 HB VAL A 103 14.989 20.743 -20.465 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.776 18.752 -21.895 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.376 19.513 -22.056 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.190 18.028 -21.092 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.541 18.884 -19.759 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.903 18.166 -18.867 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.243 19.741 -18.366 1.00 0.00 H new ATOM 1585 N ILE A 104 17.584 22.042 -20.627 1.00 0.00 N ATOM 1586 CA ILE A 104 18.462 22.760 -21.543 1.00 0.00 C ATOM 1587 C ILE A 104 19.852 22.940 -20.944 1.00 0.00 C ATOM 1588 O ILE A 104 20.862 22.739 -21.620 1.00 0.00 O ATOM 1589 CB ILE A 104 17.888 24.142 -21.905 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.513 23.993 -22.559 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.842 24.886 -22.827 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.595 25.170 -22.313 1.00 0.00 C ATOM 0 H ILE A 104 16.857 22.617 -20.201 1.00 0.00 H new ATOM 0 HA ILE A 104 18.535 22.157 -22.448 1.00 0.00 H new ATOM 0 HB ILE A 104 17.772 24.722 -20.989 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.643 23.863 -23.633 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.037 23.087 -22.183 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.423 25.861 -23.074 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.801 25.020 -22.327 1.00 0.00 H new ATOM 0 HG23 ILE A 104 18.987 24.311 -23.742 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.639 24.995 -22.806 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.434 25.288 -21.241 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.049 26.076 -22.714 1.00 0.00 H new ATOM 1604 N HIS A 105 19.898 23.317 -19.670 1.00 0.00 N ATOM 1605 CA HIS A 105 21.166 23.522 -18.978 1.00 0.00 C ATOM 1606 C HIS A 105 22.060 22.293 -19.108 1.00 0.00 C ATOM 1607 O HIS A 105 23.282 22.409 -19.213 1.00 0.00 O ATOM 1608 CB HIS A 105 20.920 23.835 -17.502 1.00 0.00 C ATOM 1609 CG HIS A 105 22.178 23.955 -16.698 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.912 23.016 -16.057 1.00 0.00 N flip ATOM 1611 CD2 HIS A 105 22.820 25.156 -16.479 1.00 0.00 C flip ATOM 1612 CE1 HIS A 105 23.974 23.659 -15.470 1.00 0.00 C flip ATOM 1613 NE2 HIS A 105 23.895 24.950 -15.740 1.00 0.00 N flip ATOM 0 H HIS A 105 19.072 23.487 -19.096 1.00 0.00 H new ATOM 0 HA HIS A 105 21.673 24.368 -19.441 1.00 0.00 H new ATOM 0 HB2 HIS A 105 20.359 24.766 -17.425 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.297 23.051 -17.072 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.494 26.115 -16.853 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.748 23.186 -14.883 1.00 0.00 H new ATOM 0 HE2 HIS A 105 24.552 25.666 -15.430 1.00 0.00 H new ATOM 1622 N LEU A 106 21.444 21.116 -19.099 1.00 0.00 N ATOM 1623 CA LEU A 106 22.185 19.864 -19.215 1.00 0.00 C ATOM 1624 C LEU A 106 22.367 19.473 -20.678 1.00 0.00 C ATOM 1625 O LEU A 106 23.350 18.826 -21.040 1.00 0.00 O ATOM 1626 CB LEU A 106 21.458 18.748 -18.463 1.00 0.00 C ATOM 1627 CG LEU A 106 21.730 18.662 -16.961 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.940 17.521 -16.339 1.00 0.00 C ATOM 1629 CD2 LEU A 106 23.219 18.487 -16.698 1.00 0.00 C ATOM 0 H LEU A 106 20.434 21.002 -19.013 1.00 0.00 H new ATOM 0 HA LEU A 106 23.170 20.010 -18.772 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.386 18.877 -18.611 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.730 17.795 -18.916 1.00 0.00 H new ATOM 0 HG LEU A 106 21.406 19.595 -16.499 1.00 0.00 H new ATOM 0 HD11 LEU A 106 21.147 17.476 -15.270 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.874 17.688 -16.496 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.232 16.580 -16.805 1.00 0.00 H new ATOM 0 HD21 LEU A 106 23.394 18.428 -15.624 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.567 17.570 -17.174 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.763 19.338 -17.108 1.00 0.00 H new