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 79 THR OG1 : rot -76:sc= 0.203 USER MOD Set 1.2: A 82 GLN : amide:sc= 0.185 K(o=0.39,f=-0.3) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 179:sc= -0.549! (180deg=-1.59!) USER MOD Set 2.2: A 95 TYR OH : rot -165:sc= -1.46 USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= 0.186 (180deg=-1.15) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0558) USER MOD Single : A 55 MET CE :methyl -130:sc= -0.429 (180deg=-2.25!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 179:sc= 0 (180deg=-0.00268) USER MOD Single : A 64 ASN : amide:sc=-0.00369 X(o=-0.0037,f=-0.27) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00326) USER MOD Single : A 78 TYR OH : rot 2:sc= 1.24 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -176:sc= -2.4! (180deg=-2.6) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.7!) USER MOD Single : A 88 LYS NZ :NH3+ -139:sc= -0.265 (180deg=-2.06!) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.595 USER MOD Single : A 100 ASN : amide:sc= 0.527 K(o=0.53,f=-0.023) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD Single : A 105 HIS : no HE2:sc= -0.824 X(o=-0.82,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 14.106 12.186 1.186 1.00 0.00 N ATOM 664 CA LEU A 47 14.622 13.549 1.254 1.00 0.00 C ATOM 665 C LEU A 47 14.907 14.094 -0.141 1.00 0.00 C ATOM 666 O LEU A 47 14.463 15.186 -0.494 1.00 0.00 O ATOM 667 CB LEU A 47 15.896 13.591 2.101 1.00 0.00 C ATOM 668 CG LEU A 47 15.694 13.728 3.610 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.961 13.338 4.355 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.279 15.148 3.967 1.00 0.00 C ATOM 0 HA LEU A 47 13.862 14.176 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.464 12.680 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.508 14.426 1.759 1.00 0.00 H new ATOM 0 HG LEU A 47 14.895 13.051 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.799 13.442 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.215 12.303 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.779 13.989 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.140 15.226 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.055 15.845 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.344 15.392 3.462 1.00 0.00 H new ATOM 682 N GLU A 48 15.649 13.324 -0.932 1.00 0.00 N ATOM 683 CA GLU A 48 15.991 13.730 -2.290 1.00 0.00 C ATOM 684 C GLU A 48 14.797 14.384 -2.980 1.00 0.00 C ATOM 685 O GLU A 48 14.876 15.526 -3.433 1.00 0.00 O ATOM 686 CB GLU A 48 16.467 12.524 -3.102 1.00 0.00 C ATOM 687 CG GLU A 48 17.344 12.895 -4.286 1.00 0.00 C ATOM 688 CD GLU A 48 18.776 13.189 -3.881 1.00 0.00 C ATOM 689 OE1 GLU A 48 19.577 12.235 -3.801 1.00 0.00 O ATOM 690 OE2 GLU A 48 19.094 14.373 -3.643 1.00 0.00 O ATOM 0 H GLU A 48 16.024 12.417 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 48 16.798 14.460 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.021 11.851 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.598 11.974 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.335 12.080 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.925 13.769 -4.785 1.00 0.00 H new ATOM 697 N LYS A 49 13.692 13.651 -3.055 1.00 0.00 N ATOM 698 CA LYS A 49 12.480 14.157 -3.689 1.00 0.00 C ATOM 699 C LYS A 49 12.038 15.468 -3.048 1.00 0.00 C ATOM 700 O LYS A 49 11.419 16.310 -3.698 1.00 0.00 O ATOM 701 CB LYS A 49 11.356 13.122 -3.586 1.00 0.00 C ATOM 702 CG LYS A 49 10.283 13.283 -4.649 1.00 0.00 C ATOM 703 CD LYS A 49 9.266 12.155 -4.589 1.00 0.00 C ATOM 704 CE LYS A 49 8.672 11.868 -5.960 1.00 0.00 C ATOM 705 NZ LYS A 49 9.473 10.864 -6.713 1.00 0.00 N ATOM 0 H LYS A 49 13.610 12.704 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 49 12.700 14.343 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.785 12.123 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.894 13.196 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.776 14.239 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.747 13.304 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.742 11.254 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.469 12.419 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.651 11.505 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.618 12.793 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.544 11.153 -7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.426 10.802 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.009 9.935 -6.654 1.00 0.00 H new ATOM 719 N ALA A 50 12.361 15.636 -1.770 1.00 0.00 N ATOM 720 CA ALA A 50 12.000 16.846 -1.043 1.00 0.00 C ATOM 721 C ALA A 50 12.768 18.053 -1.571 1.00 0.00 C ATOM 722 O ALA A 50 12.189 18.949 -2.184 1.00 0.00 O ATOM 723 CB ALA A 50 12.258 16.665 0.446 1.00 0.00 C ATOM 0 H ALA A 50 12.872 14.949 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 50 10.936 17.028 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.984 17.577 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.660 15.834 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.315 16.454 0.609 1.00 0.00 H new ATOM 729 N ALA A 51 14.075 18.070 -1.329 1.00 0.00 N ATOM 730 CA ALA A 51 14.922 19.166 -1.781 1.00 0.00 C ATOM 731 C ALA A 51 14.512 19.639 -3.172 1.00 0.00 C ATOM 732 O ALA A 51 14.110 20.788 -3.355 1.00 0.00 O ATOM 733 CB ALA A 51 16.383 18.742 -1.775 1.00 0.00 C ATOM 0 H ALA A 51 14.570 17.336 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 51 14.795 19.999 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 51 17.004 19.571 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.676 18.460 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.517 17.891 -2.442 1.00 0.00 H new ATOM 739 N VAL A 52 14.617 18.745 -4.150 1.00 0.00 N ATOM 740 CA VAL A 52 14.257 19.070 -5.525 1.00 0.00 C ATOM 741 C VAL A 52 12.966 19.880 -5.578 1.00 0.00 C ATOM 742 O VAL A 52 12.949 21.012 -6.062 1.00 0.00 O ATOM 743 CB VAL A 52 14.087 17.799 -6.377 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.671 18.157 -7.796 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.371 16.984 -6.379 1.00 0.00 C ATOM 0 H VAL A 52 14.949 17.790 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 52 15.074 19.665 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 52 13.297 17.191 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.556 17.245 -8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.723 18.695 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.435 18.787 -8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.233 16.089 -6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.181 17.583 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.620 16.695 -5.358 1.00 0.00 H new ATOM 755 N LYS A 53 11.885 19.293 -5.076 1.00 0.00 N ATOM 756 CA LYS A 53 10.588 19.960 -5.064 1.00 0.00 C ATOM 757 C LYS A 53 10.681 21.319 -4.378 1.00 0.00 C ATOM 758 O LYS A 53 10.358 22.349 -4.971 1.00 0.00 O ATOM 759 CB LYS A 53 9.550 19.088 -4.353 1.00 0.00 C ATOM 760 CG LYS A 53 8.817 18.136 -5.281 1.00 0.00 C ATOM 761 CD LYS A 53 7.561 18.772 -5.853 1.00 0.00 C ATOM 762 CE LYS A 53 7.094 18.052 -7.109 1.00 0.00 C ATOM 763 NZ LYS A 53 5.616 18.129 -7.275 1.00 0.00 N ATOM 0 H LYS A 53 11.881 18.356 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 53 10.278 20.115 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.046 18.511 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.823 19.733 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.478 17.838 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.552 17.229 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.769 18.752 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.755 19.820 -6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.581 18.490 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.400 17.007 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.339 17.641 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.151 17.674 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.324 19.126 -7.327 1.00 0.00 H new ATOM 777 N LYS A 54 11.126 21.316 -3.126 1.00 0.00 N ATOM 778 CA LYS A 54 11.265 22.548 -2.360 1.00 0.00 C ATOM 779 C LYS A 54 11.874 23.655 -3.215 1.00 0.00 C ATOM 780 O LYS A 54 11.345 24.764 -3.278 1.00 0.00 O ATOM 781 CB LYS A 54 12.135 22.309 -1.123 1.00 0.00 C ATOM 782 CG LYS A 54 11.350 21.838 0.090 1.00 0.00 C ATOM 783 CD LYS A 54 12.126 22.062 1.377 1.00 0.00 C ATOM 784 CE LYS A 54 11.482 21.339 2.549 1.00 0.00 C ATOM 785 NZ LYS A 54 11.750 19.875 2.513 1.00 0.00 N ATOM 0 H LYS A 54 11.397 20.473 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 54 10.271 22.862 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.897 21.567 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.657 23.233 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.400 22.371 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.116 20.779 -0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.151 21.712 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.178 23.130 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.859 21.754 3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.406 21.512 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.459 19.446 3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.213 19.443 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.766 19.712 2.364 1.00 0.00 H new ATOM 799 N MET A 55 12.987 23.345 -3.872 1.00 0.00 N ATOM 800 CA MET A 55 13.664 24.313 -4.726 1.00 0.00 C ATOM 801 C MET A 55 12.756 24.762 -5.866 1.00 0.00 C ATOM 802 O MET A 55 12.655 25.953 -6.159 1.00 0.00 O ATOM 803 CB MET A 55 14.953 23.713 -5.291 1.00 0.00 C ATOM 804 CG MET A 55 15.927 23.248 -4.220 1.00 0.00 C ATOM 805 SD MET A 55 17.066 24.547 -3.705 1.00 0.00 S ATOM 806 CE MET A 55 18.620 23.894 -4.309 1.00 0.00 C ATOM 0 H MET A 55 13.439 22.431 -3.829 1.00 0.00 H new ATOM 0 HA MET A 55 13.912 25.184 -4.119 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.700 22.869 -5.932 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.444 24.455 -5.920 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.367 22.897 -3.353 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.497 22.399 -4.597 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.362 23.923 -3.511 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.479 22.864 -4.637 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.967 24.497 -5.148 1.00 0.00 H new ATOM 816 N ALA A 56 12.098 23.801 -6.506 1.00 0.00 N ATOM 817 CA ALA A 56 11.198 24.098 -7.613 1.00 0.00 C ATOM 818 C ALA A 56 10.085 25.045 -7.176 1.00 0.00 C ATOM 819 O ALA A 56 9.930 26.134 -7.729 1.00 0.00 O ATOM 820 CB ALA A 56 10.609 22.812 -8.174 1.00 0.00 C ATOM 0 H ALA A 56 12.172 22.810 -6.277 1.00 0.00 H new ATOM 0 HA ALA A 56 11.774 24.592 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.939 23.049 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.413 22.169 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.053 22.295 -7.392 1.00 0.00 H new ATOM 826 N LYS A 57 9.312 24.623 -6.182 1.00 0.00 N ATOM 827 CA LYS A 57 8.213 25.433 -5.670 1.00 0.00 C ATOM 828 C LYS A 57 8.566 26.916 -5.708 1.00 0.00 C ATOM 829 O LYS A 57 7.796 27.734 -6.209 1.00 0.00 O ATOM 830 CB LYS A 57 7.869 25.016 -4.238 1.00 0.00 C ATOM 831 CG LYS A 57 7.253 23.631 -4.138 1.00 0.00 C ATOM 832 CD LYS A 57 6.520 23.440 -2.821 1.00 0.00 C ATOM 833 CE LYS A 57 6.455 21.972 -2.428 1.00 0.00 C ATOM 834 NZ LYS A 57 5.697 21.770 -1.162 1.00 0.00 N ATOM 0 H LYS A 57 9.426 23.724 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 57 7.345 25.268 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.775 25.046 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.177 25.743 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.561 23.479 -4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.034 22.877 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.024 24.006 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.510 23.841 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.983 21.402 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.466 21.582 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.675 20.757 -0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.161 22.293 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.724 22.119 -1.280 1.00 0.00 H new ATOM 848 N ALA A 58 9.736 27.255 -5.176 1.00 0.00 N ATOM 849 CA ALA A 58 10.193 28.639 -5.153 1.00 0.00 C ATOM 850 C ALA A 58 10.367 29.183 -6.566 1.00 0.00 C ATOM 851 O ALA A 58 9.995 30.321 -6.854 1.00 0.00 O ATOM 852 CB ALA A 58 11.497 28.751 -4.377 1.00 0.00 C ATOM 0 H ALA A 58 10.385 26.590 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 58 9.433 29.239 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.827 29.790 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.342 28.411 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.258 28.133 -4.853 1.00 0.00 H new ATOM 858 N ILE A 59 10.936 28.364 -7.445 1.00 0.00 N ATOM 859 CA ILE A 59 11.159 28.764 -8.828 1.00 0.00 C ATOM 860 C ILE A 59 9.840 29.061 -9.534 1.00 0.00 C ATOM 861 O ILE A 59 9.661 30.133 -10.111 1.00 0.00 O ATOM 862 CB ILE A 59 11.916 27.677 -9.614 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.272 27.398 -8.963 1.00 0.00 C ATOM 864 CG2 ILE A 59 12.095 28.099 -11.064 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.990 26.204 -9.552 1.00 0.00 C ATOM 0 H ILE A 59 11.251 27.419 -7.223 1.00 0.00 H new ATOM 0 HA ILE A 59 11.766 29.669 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 59 11.328 26.759 -9.594 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.904 28.280 -9.067 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.127 27.234 -7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.632 27.320 -11.606 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.118 28.252 -11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.664 29.028 -11.105 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.944 26.065 -9.043 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.377 25.312 -9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 59 14.167 26.373 -10.614 1.00 0.00 H new ATOM 877 N MET A 60 8.920 28.104 -9.483 1.00 0.00 N ATOM 878 CA MET A 60 7.615 28.264 -10.115 1.00 0.00 C ATOM 879 C MET A 60 7.149 29.714 -10.040 1.00 0.00 C ATOM 880 O MET A 60 6.713 30.288 -11.038 1.00 0.00 O ATOM 881 CB MET A 60 6.586 27.350 -9.448 1.00 0.00 C ATOM 882 CG MET A 60 6.948 25.875 -9.515 1.00 0.00 C ATOM 883 SD MET A 60 6.457 25.110 -11.073 1.00 0.00 S ATOM 884 CE MET A 60 5.077 24.102 -10.535 1.00 0.00 C ATOM 0 H MET A 60 9.053 27.210 -9.011 1.00 0.00 H new ATOM 0 HA MET A 60 7.711 27.986 -11.165 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.477 27.642 -8.403 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.617 27.500 -9.924 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.024 25.762 -9.383 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.468 25.349 -8.689 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.653 23.578 -11.392 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.422 23.375 -9.800 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.315 24.739 -10.085 1.00 0.00 H new ATOM 894 N ALA A 61 7.245 30.301 -8.852 1.00 0.00 N ATOM 895 CA ALA A 61 6.834 31.685 -8.648 1.00 0.00 C ATOM 896 C ALA A 61 7.981 32.646 -8.940 1.00 0.00 C ATOM 897 O ALA A 61 7.770 33.737 -9.471 1.00 0.00 O ATOM 898 CB ALA A 61 6.327 31.881 -7.227 1.00 0.00 C ATOM 0 H ALA A 61 7.604 29.840 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 61 6.024 31.904 -9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.024 32.919 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.473 31.227 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.121 31.638 -6.521 1.00 0.00 H new ATOM 904 N ASP A 62 9.195 32.235 -8.590 1.00 0.00 N ATOM 905 CA ASP A 62 10.376 33.061 -8.815 1.00 0.00 C ATOM 906 C ASP A 62 11.225 32.496 -9.950 1.00 0.00 C ATOM 907 O ASP A 62 12.124 31.682 -9.739 1.00 0.00 O ATOM 908 CB ASP A 62 11.210 33.155 -7.536 1.00 0.00 C ATOM 909 CG ASP A 62 10.782 34.309 -6.650 1.00 0.00 C ATOM 910 OD1 ASP A 62 9.562 34.545 -6.531 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.668 34.975 -6.075 1.00 0.00 O ATOM 0 H ASP A 62 9.387 31.335 -8.150 1.00 0.00 H new ATOM 0 HA ASP A 62 10.043 34.060 -9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.123 32.222 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.261 33.273 -7.799 1.00 0.00 H new ATOM 916 N PRO A 63 10.934 32.938 -11.182 1.00 0.00 N ATOM 917 CA PRO A 63 11.659 32.489 -12.375 1.00 0.00 C ATOM 918 C PRO A 63 13.089 33.018 -12.417 1.00 0.00 C ATOM 919 O PRO A 63 13.949 32.454 -13.093 1.00 0.00 O ATOM 920 CB PRO A 63 10.839 33.073 -13.529 1.00 0.00 C ATOM 921 CG PRO A 63 10.151 34.257 -12.943 1.00 0.00 C ATOM 922 CD PRO A 63 9.875 33.908 -11.507 1.00 0.00 C ATOM 0 HA PRO A 63 11.756 31.404 -12.409 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.479 33.360 -14.364 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.121 32.347 -13.912 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.777 35.147 -13.015 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.226 34.474 -13.476 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.923 34.786 -10.864 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.882 33.476 -11.382 1.00 0.00 H new ATOM 930 N ASN A 64 13.335 34.103 -11.691 1.00 0.00 N ATOM 931 CA ASN A 64 14.662 34.707 -11.646 1.00 0.00 C ATOM 932 C ASN A 64 15.635 33.826 -10.869 1.00 0.00 C ATOM 933 O ASN A 64 16.808 33.711 -11.227 1.00 0.00 O ATOM 934 CB ASN A 64 14.591 36.095 -11.006 1.00 0.00 C ATOM 935 CG ASN A 64 13.515 36.964 -11.627 1.00 0.00 C ATOM 936 OD1 ASN A 64 13.261 36.893 -12.830 1.00 0.00 O ATOM 937 ND2 ASN A 64 12.876 37.791 -10.808 1.00 0.00 N ATOM 0 H ASN A 64 12.634 34.582 -11.126 1.00 0.00 H new ATOM 0 HA ASN A 64 15.025 34.803 -12.669 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.398 35.990 -9.938 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.557 36.589 -11.108 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.142 38.400 -11.169 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.119 37.817 -9.818 1.00 0.00 H new ATOM 944 N LYS A 65 15.141 33.204 -9.804 1.00 0.00 N ATOM 945 CA LYS A 65 15.965 32.330 -8.977 1.00 0.00 C ATOM 946 C LYS A 65 16.397 31.092 -9.756 1.00 0.00 C ATOM 947 O LYS A 65 17.514 30.603 -9.591 1.00 0.00 O ATOM 948 CB LYS A 65 15.198 31.913 -7.720 1.00 0.00 C ATOM 949 CG LYS A 65 15.373 32.872 -6.555 1.00 0.00 C ATOM 950 CD LYS A 65 16.664 32.604 -5.800 1.00 0.00 C ATOM 951 CE LYS A 65 17.176 33.859 -5.109 1.00 0.00 C ATOM 952 NZ LYS A 65 17.899 34.756 -6.053 1.00 0.00 N ATOM 0 H LYS A 65 14.173 33.289 -9.493 1.00 0.00 H new ATOM 0 HA LYS A 65 16.858 32.883 -8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.138 31.836 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.529 30.920 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.373 33.898 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.527 32.778 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.498 31.822 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.421 32.233 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.338 34.397 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.842 33.578 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.232 35.600 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.714 34.251 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.257 35.045 -6.818 1.00 0.00 H new ATOM 966 N ALA A 66 15.506 30.591 -10.604 1.00 0.00 N ATOM 967 CA ALA A 66 15.797 29.412 -11.411 1.00 0.00 C ATOM 968 C ALA A 66 17.269 29.368 -11.806 1.00 0.00 C ATOM 969 O ALA A 66 17.993 28.443 -11.436 1.00 0.00 O ATOM 970 CB ALA A 66 14.915 29.390 -12.651 1.00 0.00 C ATOM 0 H ALA A 66 14.576 30.983 -10.750 1.00 0.00 H new ATOM 0 HA ALA A 66 15.582 28.528 -10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.143 28.504 -13.244 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.867 29.366 -12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.102 30.284 -13.247 1.00 0.00 H new ATOM 976 N ASP A 67 17.706 30.372 -12.558 1.00 0.00 N ATOM 977 CA ASP A 67 19.093 30.447 -13.002 1.00 0.00 C ATOM 978 C ASP A 67 20.038 29.922 -11.926 1.00 0.00 C ATOM 979 O ASP A 67 20.973 29.177 -12.218 1.00 0.00 O ATOM 980 CB ASP A 67 19.459 31.888 -13.361 1.00 0.00 C ATOM 981 CG ASP A 67 18.335 32.608 -14.081 1.00 0.00 C ATOM 982 OD1 ASP A 67 17.629 31.958 -14.880 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.162 33.822 -13.844 1.00 0.00 O ATOM 0 H ASP A 67 17.120 31.145 -12.873 1.00 0.00 H new ATOM 0 HA ASP A 67 19.199 29.822 -13.889 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.712 32.433 -12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.349 31.888 -13.991 1.00 0.00 H new ATOM 988 N GLU A 68 19.787 30.317 -10.682 1.00 0.00 N ATOM 989 CA GLU A 68 20.618 29.888 -9.563 1.00 0.00 C ATOM 990 C GLU A 68 20.408 28.406 -9.267 1.00 0.00 C ATOM 991 O GLU A 68 21.355 27.620 -9.271 1.00 0.00 O ATOM 992 CB GLU A 68 20.302 30.718 -8.316 1.00 0.00 C ATOM 993 CG GLU A 68 20.476 32.213 -8.521 1.00 0.00 C ATOM 994 CD GLU A 68 21.932 32.637 -8.513 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.484 32.841 -7.412 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.519 32.766 -9.608 1.00 0.00 O ATOM 0 H GLU A 68 19.016 30.933 -10.424 1.00 0.00 H new ATOM 0 HA GLU A 68 21.661 30.042 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.276 30.519 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.948 30.394 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.023 32.501 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.941 32.748 -7.736 1.00 0.00 H new ATOM 1003 N VAL A 69 19.159 28.031 -9.010 1.00 0.00 N ATOM 1004 CA VAL A 69 18.823 26.644 -8.712 1.00 0.00 C ATOM 1005 C VAL A 69 19.451 25.696 -9.728 1.00 0.00 C ATOM 1006 O VAL A 69 20.210 24.796 -9.366 1.00 0.00 O ATOM 1007 CB VAL A 69 17.298 26.426 -8.698 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.971 24.949 -8.540 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.653 27.245 -7.590 1.00 0.00 C ATOM 0 H VAL A 69 18.363 28.669 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 69 19.223 26.428 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 69 16.891 26.763 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.889 24.815 -8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.400 24.390 -9.372 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.389 24.582 -7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.576 27.079 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.063 26.941 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.858 28.303 -7.753 1.00 0.00 H new ATOM 1019 N TYR A 70 19.131 25.904 -11.000 1.00 0.00 N ATOM 1020 CA TYR A 70 19.662 25.067 -12.069 1.00 0.00 C ATOM 1021 C TYR A 70 21.106 24.666 -11.780 1.00 0.00 C ATOM 1022 O TYR A 70 21.424 23.481 -11.670 1.00 0.00 O ATOM 1023 CB TYR A 70 19.584 25.802 -13.408 1.00 0.00 C ATOM 1024 CG TYR A 70 18.169 26.065 -13.872 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.183 25.096 -13.740 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.820 27.282 -14.444 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.889 25.331 -14.164 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.528 27.526 -14.869 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.566 26.548 -14.727 1.00 0.00 C ATOM 1030 OH TYR A 70 14.279 26.787 -15.151 1.00 0.00 O ATOM 0 H TYR A 70 18.506 26.646 -11.316 1.00 0.00 H new ATOM 0 HA TYR A 70 19.056 24.163 -12.123 1.00 0.00 H new ATOM 0 HB2 TYR A 70 20.112 26.752 -13.323 1.00 0.00 H new ATOM 0 HB3 TYR A 70 20.103 25.215 -14.166 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.432 24.142 -13.298 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.571 28.050 -14.558 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.135 24.566 -14.055 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.273 28.478 -15.310 1.00 0.00 H new ATOM 0 HH TYR A 70 14.220 27.692 -15.522 1.00 0.00 H new ATOM 1040 N LYS A 71 21.976 25.662 -11.657 1.00 0.00 N ATOM 1041 CA LYS A 71 23.386 25.416 -11.379 1.00 0.00 C ATOM 1042 C LYS A 71 23.552 24.523 -10.153 1.00 0.00 C ATOM 1043 O LYS A 71 24.301 23.547 -10.180 1.00 0.00 O ATOM 1044 CB LYS A 71 24.123 26.740 -11.161 1.00 0.00 C ATOM 1045 CG LYS A 71 24.685 27.340 -12.438 1.00 0.00 C ATOM 1046 CD LYS A 71 23.650 28.188 -13.159 1.00 0.00 C ATOM 1047 CE LYS A 71 24.296 29.088 -14.202 1.00 0.00 C ATOM 1048 NZ LYS A 71 23.289 29.664 -15.136 1.00 0.00 N ATOM 0 H LYS A 71 21.730 26.648 -11.745 1.00 0.00 H new ATOM 0 HA LYS A 71 23.816 24.905 -12.240 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.440 27.455 -10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.938 26.581 -10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.556 27.951 -12.201 1.00 0.00 H new ATOM 0 HG3 LYS A 71 25.025 26.541 -13.097 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.918 27.540 -13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.109 28.798 -12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 71 24.833 29.895 -13.703 1.00 0.00 H new ATOM 0 HE3 LYS A 71 25.032 28.518 -14.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.768 30.271 -15.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.794 28.895 -15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.601 30.229 -14.599 1.00 0.00 H new ATOM 1062 N LYS A 72 22.846 24.863 -9.080 1.00 0.00 N ATOM 1063 CA LYS A 72 22.912 24.091 -7.845 1.00 0.00 C ATOM 1064 C LYS A 72 22.623 22.616 -8.109 1.00 0.00 C ATOM 1065 O LYS A 72 23.404 21.744 -7.728 1.00 0.00 O ATOM 1066 CB LYS A 72 21.915 24.641 -6.822 1.00 0.00 C ATOM 1067 CG LYS A 72 22.230 26.056 -6.366 1.00 0.00 C ATOM 1068 CD LYS A 72 21.294 26.505 -5.257 1.00 0.00 C ATOM 1069 CE LYS A 72 21.634 25.833 -3.935 1.00 0.00 C ATOM 1070 NZ LYS A 72 22.624 26.621 -3.150 1.00 0.00 N ATOM 0 H LYS A 72 22.221 25.668 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 72 23.922 24.180 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.915 24.622 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.899 23.983 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.261 26.105 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.148 26.739 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.356 27.587 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.265 26.272 -5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.724 25.705 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.033 24.837 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.829 26.130 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.501 26.722 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 22.234 27.563 -2.945 1.00 0.00 H new ATOM 1084 N TRP A 73 21.500 22.346 -8.763 1.00 0.00 N ATOM 1085 CA TRP A 73 21.110 20.977 -9.079 1.00 0.00 C ATOM 1086 C TRP A 73 22.257 20.224 -9.746 1.00 0.00 C ATOM 1087 O TRP A 73 22.835 19.311 -9.159 1.00 0.00 O ATOM 1088 CB TRP A 73 19.882 20.972 -9.991 1.00 0.00 C ATOM 1089 CG TRP A 73 18.587 21.083 -9.244 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.318 20.604 -7.994 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.385 21.712 -9.702 1.00 0.00 C ATOM 1092 NE1 TRP A 73 17.022 20.897 -7.647 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.428 21.578 -8.677 1.00 0.00 C ATOM 1094 CE3 TRP A 73 17.025 22.379 -10.876 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.137 22.083 -8.794 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.743 22.880 -10.991 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.811 22.731 -9.955 1.00 0.00 C ATOM 0 H TRP A 73 20.843 23.057 -9.085 1.00 0.00 H new ATOM 0 HA TRP A 73 20.863 20.472 -8.145 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.959 21.800 -10.696 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.877 20.053 -10.577 1.00 0.00 H new ATOM 0 HD1 TRP A 73 19.021 20.073 -7.370 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.574 20.648 -6.765 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.737 22.501 -11.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.417 21.968 -7.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.454 23.395 -11.895 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.817 23.135 -10.075 1.00 0.00 H new ATOM 1108 N ALA A 74 22.580 20.615 -10.974 1.00 0.00 N ATOM 1109 CA ALA A 74 23.659 19.978 -11.719 1.00 0.00 C ATOM 1110 C ALA A 74 24.828 19.632 -10.803 1.00 0.00 C ATOM 1111 O ALA A 74 25.548 18.661 -11.040 1.00 0.00 O ATOM 1112 CB ALA A 74 24.123 20.882 -12.851 1.00 0.00 C ATOM 0 H ALA A 74 22.110 21.370 -11.474 1.00 0.00 H new ATOM 0 HA ALA A 74 23.276 19.050 -12.143 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.929 20.394 -13.399 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.290 21.076 -13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.483 21.825 -12.439 1.00 0.00 H new ATOM 1118 N ASP A 75 25.012 20.431 -9.758 1.00 0.00 N ATOM 1119 CA ASP A 75 26.094 20.208 -8.806 1.00 0.00 C ATOM 1120 C ASP A 75 25.768 19.044 -7.876 1.00 0.00 C ATOM 1121 O ASP A 75 26.588 18.147 -7.674 1.00 0.00 O ATOM 1122 CB ASP A 75 26.351 21.474 -7.988 1.00 0.00 C ATOM 1123 CG ASP A 75 27.695 21.448 -7.287 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.694 21.072 -7.934 1.00 0.00 O ATOM 1125 OD2 ASP A 75 27.747 21.804 -6.091 1.00 0.00 O ATOM 0 H ASP A 75 24.426 21.239 -9.548 1.00 0.00 H new ATOM 0 HA ASP A 75 26.994 19.959 -9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.304 22.343 -8.644 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.560 21.591 -7.247 1.00 0.00 H new ATOM 1130 N LYS A 76 24.566 19.064 -7.310 1.00 0.00 N ATOM 1131 CA LYS A 76 24.130 18.011 -6.400 1.00 0.00 C ATOM 1132 C LYS A 76 24.323 16.634 -7.029 1.00 0.00 C ATOM 1133 O LYS A 76 24.766 15.696 -6.368 1.00 0.00 O ATOM 1134 CB LYS A 76 22.660 18.209 -6.024 1.00 0.00 C ATOM 1135 CG LYS A 76 22.456 19.118 -4.824 1.00 0.00 C ATOM 1136 CD LYS A 76 22.716 20.573 -5.177 1.00 0.00 C ATOM 1137 CE LYS A 76 22.278 21.504 -4.056 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.095 21.314 -2.826 1.00 0.00 N ATOM 0 H LYS A 76 23.876 19.799 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 76 24.740 18.069 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.128 18.625 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.214 17.237 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.437 19.009 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 76 23.123 18.813 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.778 20.716 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.182 20.828 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.360 22.538 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.228 21.326 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.777 21.978 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.984 20.339 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.096 21.492 -3.043 1.00 0.00 H new ATOM 1152 N GLY A 77 23.990 16.522 -8.311 1.00 0.00 N ATOM 1153 CA GLY A 77 24.136 15.257 -9.008 1.00 0.00 C ATOM 1154 C GLY A 77 22.805 14.685 -9.454 1.00 0.00 C ATOM 1155 O GLY A 77 22.547 13.492 -9.286 1.00 0.00 O ATOM 0 H GLY A 77 23.622 17.284 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.778 15.397 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.635 14.541 -8.355 1.00 0.00 H new ATOM 1159 N TYR A 78 21.958 15.535 -10.023 1.00 0.00 N ATOM 1160 CA TYR A 78 20.645 15.107 -10.491 1.00 0.00 C ATOM 1161 C TYR A 78 20.650 14.884 -12.000 1.00 0.00 C ATOM 1162 O TYR A 78 21.589 15.275 -12.695 1.00 0.00 O ATOM 1163 CB TYR A 78 19.585 16.147 -10.121 1.00 0.00 C ATOM 1164 CG TYR A 78 19.370 16.290 -8.632 1.00 0.00 C ATOM 1165 CD1 TYR A 78 18.930 15.216 -7.868 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.606 17.498 -7.988 1.00 0.00 C ATOM 1167 CE1 TYR A 78 18.731 15.341 -6.506 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.412 17.632 -6.627 1.00 0.00 C ATOM 1169 CZ TYR A 78 18.974 16.551 -5.891 1.00 0.00 C ATOM 1170 OH TYR A 78 18.778 16.682 -4.535 1.00 0.00 O ATOM 0 H TYR A 78 22.157 16.524 -10.171 1.00 0.00 H new ATOM 0 HA TYR A 78 20.404 14.162 -10.004 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.878 17.113 -10.532 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.640 15.874 -10.591 1.00 0.00 H new ATOM 0 HD1 TYR A 78 18.740 14.267 -8.347 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.947 18.347 -8.561 1.00 0.00 H new ATOM 0 HE1 TYR A 78 18.387 14.496 -5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.602 18.578 -6.142 1.00 0.00 H new ATOM 0 HH TYR A 78 18.498 15.821 -4.160 1.00 0.00 H new ATOM 1180 N THR A 79 19.593 14.253 -12.502 1.00 0.00 N ATOM 1181 CA THR A 79 19.475 13.976 -13.928 1.00 0.00 C ATOM 1182 C THR A 79 18.040 14.164 -14.407 1.00 0.00 C ATOM 1183 O THR A 79 17.122 14.329 -13.602 1.00 0.00 O ATOM 1184 CB THR A 79 19.932 12.544 -14.262 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.155 11.596 -13.522 1.00 0.00 O ATOM 1186 CG2 THR A 79 21.408 12.359 -13.942 1.00 0.00 C ATOM 0 H THR A 79 18.806 13.924 -11.942 1.00 0.00 H new ATOM 0 HA THR A 79 20.123 14.685 -14.443 1.00 0.00 H new ATOM 0 HB THR A 79 19.784 12.379 -15.329 1.00 0.00 H new ATOM 0 HG1 THR A 79 19.459 11.580 -12.590 1.00 0.00 H new ATOM 0 HG21 THR A 79 21.708 11.340 -14.186 1.00 0.00 H new ATOM 0 HG22 THR A 79 21.999 13.062 -14.530 1.00 0.00 H new ATOM 0 HG23 THR A 79 21.576 12.542 -12.881 1.00 0.00 H new ATOM 1194 N LEU A 80 17.852 14.138 -15.722 1.00 0.00 N ATOM 1195 CA LEU A 80 16.527 14.304 -16.309 1.00 0.00 C ATOM 1196 C LEU A 80 15.561 13.248 -15.781 1.00 0.00 C ATOM 1197 O LEU A 80 14.483 13.572 -15.279 1.00 0.00 O ATOM 1198 CB LEU A 80 16.609 14.220 -17.834 1.00 0.00 C ATOM 1199 CG LEU A 80 17.587 15.182 -18.508 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.742 14.841 -19.982 1.00 0.00 C ATOM 1201 CD2 LEU A 80 17.123 16.621 -18.337 1.00 0.00 C ATOM 0 H LEU A 80 18.600 14.004 -16.402 1.00 0.00 H new ATOM 0 HA LEU A 80 16.152 15.287 -16.025 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.886 13.202 -18.107 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.614 14.400 -18.242 1.00 0.00 H new ATOM 0 HG LEU A 80 18.560 15.076 -18.028 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.442 15.537 -20.445 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.121 13.824 -20.082 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.774 14.918 -20.477 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.831 17.292 -18.823 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.139 16.742 -18.790 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.066 16.861 -17.275 1.00 0.00 H new ATOM 1213 N THR A 81 15.954 11.984 -15.895 1.00 0.00 N ATOM 1214 CA THR A 81 15.124 10.880 -15.429 1.00 0.00 C ATOM 1215 C THR A 81 14.677 11.099 -13.988 1.00 0.00 C ATOM 1216 O THR A 81 13.482 11.182 -13.706 1.00 0.00 O ATOM 1217 CB THR A 81 15.871 9.536 -15.524 1.00 0.00 C ATOM 1218 OG1 THR A 81 16.255 9.284 -16.881 1.00 0.00 O ATOM 1219 CG2 THR A 81 15.000 8.396 -15.018 1.00 0.00 C ATOM 0 H THR A 81 16.843 11.699 -16.306 1.00 0.00 H new ATOM 0 HA THR A 81 14.249 10.847 -16.078 1.00 0.00 H new ATOM 0 HB THR A 81 16.762 9.596 -14.900 1.00 0.00 H new ATOM 0 HG1 THR A 81 16.731 8.429 -16.933 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.549 7.457 -15.095 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.733 8.576 -13.977 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.093 8.336 -15.620 1.00 0.00 H new ATOM 1227 N GLN A 82 15.644 11.193 -13.081 1.00 0.00 N ATOM 1228 CA GLN A 82 15.348 11.402 -11.669 1.00 0.00 C ATOM 1229 C GLN A 82 14.602 12.716 -11.458 1.00 0.00 C ATOM 1230 O GLN A 82 13.464 12.726 -10.989 1.00 0.00 O ATOM 1231 CB GLN A 82 16.639 11.398 -10.849 1.00 0.00 C ATOM 1232 CG GLN A 82 17.389 10.077 -10.903 1.00 0.00 C ATOM 1233 CD GLN A 82 18.757 10.155 -10.253 1.00 0.00 C ATOM 1234 OE1 GLN A 82 19.514 11.098 -10.486 1.00 0.00 O ATOM 1235 NE2 GLN A 82 19.080 9.163 -9.432 1.00 0.00 N ATOM 0 H GLN A 82 16.638 11.128 -13.299 1.00 0.00 H new ATOM 0 HA GLN A 82 14.710 10.585 -11.333 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.292 12.192 -11.211 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.401 11.629 -9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.798 9.308 -10.406 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.502 9.770 -11.943 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.421 8.402 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.987 9.162 -8.965 1.00 0.00 H new ATOM 1244 N MET A 83 15.251 13.822 -11.807 1.00 0.00 N ATOM 1245 CA MET A 83 14.648 15.141 -11.657 1.00 0.00 C ATOM 1246 C MET A 83 13.186 15.123 -12.091 1.00 0.00 C ATOM 1247 O MET A 83 12.291 15.435 -11.304 1.00 0.00 O ATOM 1248 CB MET A 83 15.422 16.175 -12.476 1.00 0.00 C ATOM 1249 CG MET A 83 14.791 17.558 -12.462 1.00 0.00 C ATOM 1250 SD MET A 83 14.980 18.392 -10.875 1.00 0.00 S ATOM 1251 CE MET A 83 16.763 18.404 -10.709 1.00 0.00 C ATOM 0 H MET A 83 16.194 13.831 -12.195 1.00 0.00 H new ATOM 0 HA MET A 83 14.692 15.415 -10.603 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.439 16.245 -12.090 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.496 15.829 -13.507 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.243 18.167 -13.244 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.730 17.472 -12.699 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.035 18.825 -9.741 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.142 17.385 -10.781 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.198 19.010 -11.503 1.00 0.00 H new ATOM 1261 N SER A 84 12.950 14.757 -13.346 1.00 0.00 N ATOM 1262 CA SER A 84 11.596 14.703 -13.886 1.00 0.00 C ATOM 1263 C SER A 84 10.710 13.794 -13.039 1.00 0.00 C ATOM 1264 O SER A 84 9.510 14.028 -12.906 1.00 0.00 O ATOM 1265 CB SER A 84 11.620 14.206 -15.333 1.00 0.00 C ATOM 1266 OG SER A 84 10.401 14.499 -15.993 1.00 0.00 O ATOM 0 H SER A 84 13.679 14.493 -14.009 1.00 0.00 H new ATOM 0 HA SER A 84 11.182 15.711 -13.863 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.448 14.672 -15.867 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.796 13.130 -15.349 1.00 0.00 H new ATOM 0 HG SER A 84 10.442 14.173 -16.916 1.00 0.00 H new ATOM 1272 N ASN A 85 11.313 12.756 -12.468 1.00 0.00 N ATOM 1273 CA ASN A 85 10.579 11.811 -11.634 1.00 0.00 C ATOM 1274 C ASN A 85 10.220 12.436 -10.289 1.00 0.00 C ATOM 1275 O ASN A 85 9.237 12.051 -9.656 1.00 0.00 O ATOM 1276 CB ASN A 85 11.407 10.543 -11.414 1.00 0.00 C ATOM 1277 CG ASN A 85 11.182 9.510 -12.501 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.461 9.757 -13.468 1.00 0.00 O ATOM 1279 ND2 ASN A 85 11.799 8.344 -12.346 1.00 0.00 N ATOM 0 H ASN A 85 12.307 12.548 -12.567 1.00 0.00 H new ATOM 0 HA ASN A 85 9.656 11.550 -12.151 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.465 10.805 -11.378 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.153 10.110 -10.447 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.685 7.610 -13.045 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.387 8.183 -11.528 1.00 0.00 H new ATOM 1286 N PHE A 86 11.023 13.404 -9.860 1.00 0.00 N ATOM 1287 CA PHE A 86 10.791 14.083 -8.590 1.00 0.00 C ATOM 1288 C PHE A 86 9.790 15.222 -8.759 1.00 0.00 C ATOM 1289 O PHE A 86 8.831 15.340 -7.995 1.00 0.00 O ATOM 1290 CB PHE A 86 12.107 14.624 -8.029 1.00 0.00 C ATOM 1291 CG PHE A 86 13.130 13.556 -7.765 1.00 0.00 C ATOM 1292 CD1 PHE A 86 12.754 12.334 -7.233 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.469 13.776 -8.049 1.00 0.00 C ATOM 1294 CE1 PHE A 86 13.693 11.349 -6.990 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.412 12.795 -7.809 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.024 11.580 -7.277 1.00 0.00 C ATOM 0 H PHE A 86 11.840 13.736 -10.373 1.00 0.00 H new ATOM 0 HA PHE A 86 10.376 13.359 -7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.522 15.348 -8.731 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.905 15.159 -7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.715 12.148 -7.005 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.778 14.725 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.386 10.400 -6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.452 12.978 -8.037 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.760 10.813 -7.086 1.00 0.00 H new ATOM 1306 N LEU A 87 10.020 16.060 -9.763 1.00 0.00 N ATOM 1307 CA LEU A 87 9.140 17.192 -10.033 1.00 0.00 C ATOM 1308 C LEU A 87 7.765 16.715 -10.489 1.00 0.00 C ATOM 1309 O LEU A 87 6.756 17.380 -10.253 1.00 0.00 O ATOM 1310 CB LEU A 87 9.757 18.101 -11.098 1.00 0.00 C ATOM 1311 CG LEU A 87 11.120 18.704 -10.758 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.665 19.491 -11.939 1.00 0.00 C ATOM 1313 CD2 LEU A 87 11.019 19.589 -9.525 1.00 0.00 C ATOM 0 H LEU A 87 10.809 15.977 -10.404 1.00 0.00 H new ATOM 0 HA LEU A 87 9.020 17.757 -9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.855 17.530 -12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.061 18.916 -11.299 1.00 0.00 H new ATOM 0 HG LEU A 87 11.812 17.890 -10.540 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.636 19.913 -11.678 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.776 18.829 -12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.975 20.297 -12.189 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.999 20.010 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.312 20.397 -9.714 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.674 18.995 -8.678 1.00 0.00 H new ATOM 1325 N LYS A 88 7.732 15.559 -11.142 1.00 0.00 N ATOM 1326 CA LYS A 88 6.481 14.990 -11.629 1.00 0.00 C ATOM 1327 C LYS A 88 5.512 14.740 -10.477 1.00 0.00 C ATOM 1328 O LYS A 88 5.787 13.937 -9.585 1.00 0.00 O ATOM 1329 CB LYS A 88 6.748 13.682 -12.377 1.00 0.00 C ATOM 1330 CG LYS A 88 7.007 13.872 -13.861 1.00 0.00 C ATOM 1331 CD LYS A 88 7.649 12.641 -14.478 1.00 0.00 C ATOM 1332 CE LYS A 88 6.615 11.571 -14.792 1.00 0.00 C ATOM 1333 NZ LYS A 88 6.197 10.828 -13.572 1.00 0.00 N ATOM 0 H LYS A 88 8.558 14.997 -11.347 1.00 0.00 H new ATOM 0 HA LYS A 88 6.028 15.707 -12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.608 13.185 -11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.893 13.018 -12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.068 14.087 -14.370 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.656 14.735 -14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.173 12.922 -15.392 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.396 12.237 -13.794 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.742 12.034 -15.252 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.026 10.872 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.112 9.816 -13.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.908 10.960 -12.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.278 11.188 -13.244 1.00 0.00 H new ATOM 1433 N TYR A 95 5.379 21.510 -12.983 1.00 0.00 N ATOM 1434 CA TYR A 95 6.778 21.919 -12.944 1.00 0.00 C ATOM 1435 C TYR A 95 7.370 21.969 -14.349 1.00 0.00 C ATOM 1436 O TYR A 95 8.579 21.821 -14.531 1.00 0.00 O ATOM 1437 CB TYR A 95 7.587 20.958 -12.071 1.00 0.00 C ATOM 1438 CG TYR A 95 7.112 20.896 -10.637 1.00 0.00 C ATOM 1439 CD1 TYR A 95 5.918 20.268 -10.307 1.00 0.00 C ATOM 1440 CD2 TYR A 95 7.858 21.466 -9.613 1.00 0.00 C ATOM 1441 CE1 TYR A 95 5.480 20.210 -8.998 1.00 0.00 C ATOM 1442 CE2 TYR A 95 7.428 21.412 -8.301 1.00 0.00 C ATOM 1443 CZ TYR A 95 6.238 20.783 -7.999 1.00 0.00 C ATOM 1444 OH TYR A 95 5.806 20.726 -6.693 1.00 0.00 O ATOM 0 HA TYR A 95 6.827 22.919 -12.513 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.539 19.959 -12.504 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.634 21.261 -12.085 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.322 19.817 -11.087 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.790 21.960 -9.846 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.549 19.718 -8.759 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.020 21.860 -7.517 1.00 0.00 H new ATOM 0 HH TYR A 95 6.313 21.367 -6.152 1.00 0.00 H new ATOM 1454 N ASP A 96 6.510 22.180 -15.339 1.00 0.00 N ATOM 1455 CA ASP A 96 6.947 22.252 -16.729 1.00 0.00 C ATOM 1456 C ASP A 96 7.970 23.367 -16.920 1.00 0.00 C ATOM 1457 O ASP A 96 9.087 23.126 -17.378 1.00 0.00 O ATOM 1458 CB ASP A 96 5.748 22.479 -17.651 1.00 0.00 C ATOM 1459 CG ASP A 96 5.072 21.182 -18.052 1.00 0.00 C ATOM 1460 OD1 ASP A 96 5.745 20.131 -18.031 1.00 0.00 O ATOM 1461 OD2 ASP A 96 3.869 21.219 -18.387 1.00 0.00 O ATOM 0 H ASP A 96 5.506 22.304 -15.205 1.00 0.00 H new ATOM 0 HA ASP A 96 7.419 21.303 -16.986 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.025 23.122 -17.150 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.077 23.006 -18.547 1.00 0.00 H new ATOM 1466 N ARG A 97 7.580 24.588 -16.566 1.00 0.00 N ATOM 1467 CA ARG A 97 8.462 25.740 -16.701 1.00 0.00 C ATOM 1468 C ARG A 97 9.792 25.492 -15.996 1.00 0.00 C ATOM 1469 O ARG A 97 10.801 26.124 -16.310 1.00 0.00 O ATOM 1470 CB ARG A 97 7.794 26.991 -16.127 1.00 0.00 C ATOM 1471 CG ARG A 97 8.715 28.198 -16.060 1.00 0.00 C ATOM 1472 CD ARG A 97 9.155 28.641 -17.446 1.00 0.00 C ATOM 1473 NE ARG A 97 8.201 29.565 -18.053 1.00 0.00 N ATOM 1474 CZ ARG A 97 7.145 29.174 -18.759 1.00 0.00 C ATOM 1475 NH1 ARG A 97 6.910 27.882 -18.944 1.00 0.00 N ATOM 1476 NH2 ARG A 97 6.322 30.075 -19.279 1.00 0.00 N ATOM 0 H ARG A 97 6.659 24.804 -16.184 1.00 0.00 H new ATOM 0 HA ARG A 97 8.656 25.895 -17.762 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.926 27.241 -16.737 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.427 26.769 -15.125 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.203 29.020 -15.560 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.591 27.955 -15.459 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.132 29.120 -17.381 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.271 27.767 -18.086 1.00 0.00 H new ATOM 0 HE ARG A 97 8.353 30.566 -17.928 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.540 27.187 -18.544 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.099 27.584 -19.486 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.499 31.069 -19.137 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.512 29.773 -19.821 1.00 0.00 H new ATOM 1490 N VAL A 98 9.786 24.569 -15.040 1.00 0.00 N ATOM 1491 CA VAL A 98 10.992 24.236 -14.290 1.00 0.00 C ATOM 1492 C VAL A 98 11.843 23.219 -15.041 1.00 0.00 C ATOM 1493 O VAL A 98 12.967 23.515 -15.449 1.00 0.00 O ATOM 1494 CB VAL A 98 10.649 23.674 -12.897 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.919 23.392 -12.108 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.746 24.637 -12.142 1.00 0.00 C ATOM 0 H VAL A 98 8.959 24.038 -14.766 1.00 0.00 H new ATOM 0 HA VAL A 98 11.557 25.161 -14.172 1.00 0.00 H new ATOM 0 HB VAL A 98 10.113 22.734 -13.025 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.657 22.996 -11.127 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.526 22.662 -12.644 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.485 24.316 -11.987 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.514 24.224 -11.160 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.254 25.594 -12.022 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.822 24.784 -12.702 1.00 0.00 H new ATOM 1506 N TYR A 99 11.301 22.020 -15.220 1.00 0.00 N ATOM 1507 CA TYR A 99 12.012 20.957 -15.921 1.00 0.00 C ATOM 1508 C TYR A 99 12.657 21.484 -17.199 1.00 0.00 C ATOM 1509 O TYR A 99 13.838 21.251 -17.453 1.00 0.00 O ATOM 1510 CB TYR A 99 11.057 19.809 -16.254 1.00 0.00 C ATOM 1511 CG TYR A 99 11.733 18.634 -16.922 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.570 17.788 -16.203 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.536 18.368 -18.271 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.191 16.713 -16.809 1.00 0.00 C ATOM 1515 CE2 TYR A 99 12.152 17.294 -18.885 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.978 16.470 -18.150 1.00 0.00 C ATOM 1517 OH TYR A 99 13.594 15.400 -18.758 1.00 0.00 O ATOM 0 H TYR A 99 10.372 21.759 -14.890 1.00 0.00 H new ATOM 0 HA TYR A 99 12.799 20.587 -15.264 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.578 19.468 -15.336 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.267 20.182 -16.906 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.738 17.975 -15.153 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.890 19.012 -18.850 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.839 16.067 -16.236 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.987 17.101 -19.935 1.00 0.00 H new ATOM 0 HH TYR A 99 13.338 15.369 -19.703 1.00 0.00 H new ATOM 1527 N ASN A 100 11.872 22.196 -18.001 1.00 0.00 N ATOM 1528 CA ASN A 100 12.365 22.757 -19.253 1.00 0.00 C ATOM 1529 C ASN A 100 13.758 23.352 -19.072 1.00 0.00 C ATOM 1530 O ASN A 100 14.735 22.854 -19.630 1.00 0.00 O ATOM 1531 CB ASN A 100 11.404 23.830 -19.769 1.00 0.00 C ATOM 1532 CG ASN A 100 10.299 23.249 -20.631 1.00 0.00 C ATOM 1533 OD1 ASN A 100 10.222 23.524 -21.829 1.00 0.00 O ATOM 1534 ND2 ASN A 100 9.437 22.443 -20.024 1.00 0.00 N ATOM 0 H ASN A 100 10.891 22.398 -17.806 1.00 0.00 H new ATOM 0 HA ASN A 100 12.426 21.951 -19.984 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.962 24.356 -18.923 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.962 24.567 -20.346 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.672 22.023 -20.552 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.539 22.243 -19.029 1.00 0.00 H new ATOM 1541 N GLY A 101 13.842 24.421 -18.285 1.00 0.00 N ATOM 1542 CA GLY A 101 15.119 25.066 -18.043 1.00 0.00 C ATOM 1543 C GLY A 101 16.232 24.070 -17.784 1.00 0.00 C ATOM 1544 O GLY A 101 17.284 24.125 -18.421 1.00 0.00 O ATOM 0 H GLY A 101 13.048 24.851 -17.811 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.380 25.682 -18.903 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.028 25.735 -17.187 1.00 0.00 H new ATOM 1548 N TYR A 102 16.000 23.158 -16.846 1.00 0.00 N ATOM 1549 CA TYR A 102 16.993 22.148 -16.501 1.00 0.00 C ATOM 1550 C TYR A 102 17.425 21.364 -17.737 1.00 0.00 C ATOM 1551 O TYR A 102 18.617 21.217 -18.008 1.00 0.00 O ATOM 1552 CB TYR A 102 16.434 21.192 -15.446 1.00 0.00 C ATOM 1553 CG TYR A 102 17.492 20.348 -14.771 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.684 20.913 -14.335 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.299 18.987 -14.571 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.654 20.146 -13.718 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.263 18.213 -13.954 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.438 18.797 -13.530 1.00 0.00 C ATOM 1559 OH TYR A 102 20.401 18.029 -12.916 1.00 0.00 O ATOM 0 H TYR A 102 15.133 23.098 -16.311 1.00 0.00 H new ATOM 0 HA TYR A 102 17.866 22.658 -16.093 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.905 21.770 -14.688 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.702 20.535 -15.915 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.855 21.969 -14.481 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.380 18.526 -14.903 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.576 20.600 -13.385 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.097 17.156 -13.805 1.00 0.00 H new ATOM 0 HH TYR A 102 20.904 18.581 -12.281 1.00 0.00 H new ATOM 1569 N VAL A 103 16.446 20.862 -18.483 1.00 0.00 N ATOM 1570 CA VAL A 103 16.722 20.094 -19.691 1.00 0.00 C ATOM 1571 C VAL A 103 17.819 20.751 -20.521 1.00 0.00 C ATOM 1572 O VAL A 103 18.883 20.169 -20.735 1.00 0.00 O ATOM 1573 CB VAL A 103 15.459 19.940 -20.559 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.817 19.382 -21.928 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.440 19.051 -19.862 1.00 0.00 C ATOM 0 H VAL A 103 15.454 20.974 -18.272 1.00 0.00 H new ATOM 0 HA VAL A 103 17.055 19.107 -19.370 1.00 0.00 H new ATOM 0 HB VAL A 103 15.013 20.925 -20.700 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.912 19.280 -22.527 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.509 20.060 -22.428 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.287 18.405 -21.811 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.554 18.953 -20.489 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.874 18.066 -19.690 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.161 19.497 -18.907 1.00 0.00 H new ATOM 1585 N ILE A 104 17.553 21.967 -20.985 1.00 0.00 N ATOM 1586 CA ILE A 104 18.519 22.705 -21.791 1.00 0.00 C ATOM 1587 C ILE A 104 19.847 22.854 -21.057 1.00 0.00 C ATOM 1588 O ILE A 104 20.916 22.781 -21.665 1.00 0.00 O ATOM 1589 CB ILE A 104 17.991 24.103 -22.162 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.768 23.985 -23.075 1.00 0.00 C ATOM 1591 CG2 ILE A 104 19.084 24.920 -22.835 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.457 23.921 -22.323 1.00 0.00 C ATOM 0 H ILE A 104 16.677 22.462 -20.817 1.00 0.00 H new ATOM 0 HA ILE A 104 18.673 22.130 -22.704 1.00 0.00 H new ATOM 0 HB ILE A 104 17.691 24.616 -21.248 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.747 24.838 -23.753 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.869 23.091 -23.690 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.696 25.906 -23.091 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.929 25.028 -22.154 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.412 24.412 -23.742 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.634 23.838 -23.033 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.457 23.052 -21.665 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.334 24.826 -21.729 1.00 0.00 H new ATOM 1604 N HIS A 105 19.773 23.060 -19.746 1.00 0.00 N ATOM 1605 CA HIS A 105 20.970 23.216 -18.928 1.00 0.00 C ATOM 1606 C HIS A 105 21.835 21.960 -18.984 1.00 0.00 C ATOM 1607 O HIS A 105 23.063 22.040 -19.010 1.00 0.00 O ATOM 1608 CB HIS A 105 20.588 23.522 -17.480 1.00 0.00 C ATOM 1609 CG HIS A 105 21.761 23.593 -16.552 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.381 24.776 -16.211 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.428 22.617 -15.891 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.379 24.526 -15.382 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.428 23.223 -15.172 1.00 0.00 N ATOM 0 H HIS A 105 18.897 23.123 -19.228 1.00 0.00 H new ATOM 0 HA HIS A 105 21.546 24.050 -19.328 1.00 0.00 H new ATOM 0 HB2 HIS A 105 20.052 24.470 -17.447 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.900 22.755 -17.125 1.00 0.00 H new ATOM 0 HD1 HIS A 105 22.111 25.701 -16.547 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.213 21.559 -15.924 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.041 25.261 -14.950 1.00 0.00 H new ATOM 1622 N LEU A 106 21.185 20.802 -19.002 1.00 0.00 N ATOM 1623 CA LEU A 106 21.894 19.528 -19.054 1.00 0.00 C ATOM 1624 C LEU A 106 22.452 19.272 -20.451 1.00 0.00 C ATOM 1625 O LEU A 106 23.546 18.728 -20.603 1.00 0.00 O ATOM 1626 CB LEU A 106 20.962 18.386 -18.648 1.00 0.00 C ATOM 1627 CG LEU A 106 20.930 18.042 -17.158 1.00 0.00 C ATOM 1628 CD1 LEU A 106 22.288 17.534 -16.699 1.00 0.00 C ATOM 1629 CD2 LEU A 106 20.508 19.254 -16.340 1.00 0.00 C ATOM 0 H LEU A 106 20.169 20.719 -18.981 1.00 0.00 H new ATOM 0 HA LEU A 106 22.727 19.575 -18.353 1.00 0.00 H new ATOM 0 HB2 LEU A 106 19.950 18.640 -18.963 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.253 17.493 -19.200 1.00 0.00 H new ATOM 0 HG LEU A 106 20.197 17.250 -17.003 1.00 0.00 H new ATOM 0 HD11 LEU A 106 22.247 17.294 -15.637 1.00 0.00 H new ATOM 0 HD12 LEU A 106 22.551 16.639 -17.263 1.00 0.00 H new ATOM 0 HD13 LEU A 106 23.041 18.304 -16.868 1.00 0.00 H new ATOM 0 HD21 LEU A 106 20.491 18.991 -15.282 1.00 0.00 H new ATOM 0 HD22 LEU A 106 21.217 20.066 -16.500 1.00 0.00 H new ATOM 0 HD23 LEU A 106 19.513 19.574 -16.651 1.00 0.00 H new