USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=13 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 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 84 SER OG : rot -57:sc= 1.24 USER MOD Set 2.2: A 85 ASN : amide:sc= -0.902 K(o=0.34,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.106 (180deg=-0.547) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -117:sc= -0.729 (180deg=-3.58!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -172:sc= 0 (180deg=-0.149) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.666 USER MOD Single : A 72 LYS NZ :NH3+ -129:sc= -0.104 (180deg=-1.03) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00416 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 83 MET CE :methyl -169:sc= -2.37! (180deg=-2.8) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.824 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 14.192 12.271 1.036 1.00 0.00 N ATOM 664 CA LEU A 47 14.663 13.630 1.284 1.00 0.00 C ATOM 665 C LEU A 47 14.954 14.353 -0.027 1.00 0.00 C ATOM 666 O LEU A 47 14.650 15.536 -0.175 1.00 0.00 O ATOM 667 CB LEU A 47 15.920 13.604 2.155 1.00 0.00 C ATOM 668 CG LEU A 47 15.690 13.493 3.663 1.00 0.00 C ATOM 669 CD1 LEU A 47 17.013 13.335 4.395 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.936 14.711 4.178 1.00 0.00 C ATOM 0 HA LEU A 47 13.876 14.171 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.539 12.764 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.491 14.512 1.961 1.00 0.00 H new ATOM 0 HG LEU A 47 15.085 12.607 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.829 13.258 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.516 12.433 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.644 14.201 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.781 14.615 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.516 15.611 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.970 14.780 3.677 1.00 0.00 H new ATOM 682 N GLU A 48 15.543 13.632 -0.977 1.00 0.00 N ATOM 683 CA GLU A 48 15.873 14.205 -2.276 1.00 0.00 C ATOM 684 C GLU A 48 14.638 14.819 -2.929 1.00 0.00 C ATOM 685 O GLU A 48 14.590 16.023 -3.184 1.00 0.00 O ATOM 686 CB GLU A 48 16.470 13.136 -3.193 1.00 0.00 C ATOM 687 CG GLU A 48 17.983 13.025 -3.095 1.00 0.00 C ATOM 688 CD GLU A 48 18.435 12.328 -1.827 1.00 0.00 C ATOM 689 OE1 GLU A 48 17.990 11.186 -1.588 1.00 0.00 O ATOM 690 OE2 GLU A 48 19.234 12.923 -1.075 1.00 0.00 O ATOM 0 H GLU A 48 15.801 12.651 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 48 16.610 14.993 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.027 12.171 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.197 13.360 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.360 12.479 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.420 14.023 -3.132 1.00 0.00 H new ATOM 697 N LYS A 49 13.641 13.984 -3.199 1.00 0.00 N ATOM 698 CA LYS A 49 12.405 14.442 -3.821 1.00 0.00 C ATOM 699 C LYS A 49 11.895 15.712 -3.148 1.00 0.00 C ATOM 700 O LYS A 49 11.401 16.623 -3.812 1.00 0.00 O ATOM 701 CB LYS A 49 11.337 13.348 -3.748 1.00 0.00 C ATOM 702 CG LYS A 49 10.190 13.552 -4.723 1.00 0.00 C ATOM 703 CD LYS A 49 9.195 12.406 -4.661 1.00 0.00 C ATOM 704 CE LYS A 49 8.143 12.521 -5.754 1.00 0.00 C ATOM 705 NZ LYS A 49 6.980 11.626 -5.500 1.00 0.00 N ATOM 0 H LYS A 49 13.665 12.985 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 49 12.615 14.666 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.803 12.383 -3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.938 13.308 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.681 14.489 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.583 13.639 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.724 11.458 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.708 12.398 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.799 13.553 -5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.590 12.271 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.285 11.733 -6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.304 10.638 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.538 11.880 -4.594 1.00 0.00 H new ATOM 719 N ALA A 50 12.018 15.765 -1.826 1.00 0.00 N ATOM 720 CA ALA A 50 11.572 16.925 -1.063 1.00 0.00 C ATOM 721 C ALA A 50 12.372 18.168 -1.437 1.00 0.00 C ATOM 722 O ALA A 50 11.802 19.202 -1.785 1.00 0.00 O ATOM 723 CB ALA A 50 11.686 16.651 0.429 1.00 0.00 C ATOM 0 H ALA A 50 12.423 15.019 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 50 10.526 17.110 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.350 17.525 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.065 15.794 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.725 16.437 0.681 1.00 0.00 H new ATOM 729 N ALA A 51 13.694 18.060 -1.362 1.00 0.00 N ATOM 730 CA ALA A 51 14.572 19.176 -1.695 1.00 0.00 C ATOM 731 C ALA A 51 14.321 19.667 -3.116 1.00 0.00 C ATOM 732 O ALA A 51 13.932 20.816 -3.328 1.00 0.00 O ATOM 733 CB ALA A 51 16.028 18.771 -1.523 1.00 0.00 C ATOM 0 H ALA A 51 14.181 17.211 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 51 14.352 19.996 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.672 19.613 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.204 18.476 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.253 17.933 -2.182 1.00 0.00 H new ATOM 739 N VAL A 52 14.547 18.789 -4.089 1.00 0.00 N ATOM 740 CA VAL A 52 14.345 19.134 -5.491 1.00 0.00 C ATOM 741 C VAL A 52 13.004 19.828 -5.699 1.00 0.00 C ATOM 742 O VAL A 52 12.937 20.913 -6.278 1.00 0.00 O ATOM 743 CB VAL A 52 14.409 17.885 -6.391 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.405 18.283 -7.859 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.639 17.053 -6.059 1.00 0.00 C ATOM 0 H VAL A 52 14.870 17.834 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 52 15.150 19.815 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 52 13.524 17.277 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.451 17.388 -8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.492 18.834 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.270 18.913 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.669 16.175 -6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.536 17.651 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.594 16.737 -5.017 1.00 0.00 H new ATOM 755 N LYS A 53 11.937 19.197 -5.223 1.00 0.00 N ATOM 756 CA LYS A 53 10.596 19.753 -5.354 1.00 0.00 C ATOM 757 C LYS A 53 10.534 21.165 -4.779 1.00 0.00 C ATOM 758 O LYS A 53 10.087 22.099 -5.446 1.00 0.00 O ATOM 759 CB LYS A 53 9.578 18.858 -4.644 1.00 0.00 C ATOM 760 CG LYS A 53 9.302 17.554 -5.373 1.00 0.00 C ATOM 761 CD LYS A 53 8.504 17.784 -6.645 1.00 0.00 C ATOM 762 CE LYS A 53 7.010 17.827 -6.366 1.00 0.00 C ATOM 763 NZ LYS A 53 6.496 16.511 -5.895 1.00 0.00 N ATOM 0 H LYS A 53 11.975 18.298 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 53 10.352 19.800 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.941 18.634 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.643 19.406 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.246 17.066 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.755 16.878 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.816 18.721 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.719 16.989 -7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.803 18.588 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.480 18.121 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.475 16.449 -6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.988 15.746 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.665 16.418 -4.873 1.00 0.00 H new ATOM 777 N LYS A 54 10.987 21.315 -3.539 1.00 0.00 N ATOM 778 CA LYS A 54 10.987 22.613 -2.876 1.00 0.00 C ATOM 779 C LYS A 54 11.622 23.678 -3.763 1.00 0.00 C ATOM 780 O LYS A 54 11.014 24.711 -4.042 1.00 0.00 O ATOM 781 CB LYS A 54 11.737 22.528 -1.545 1.00 0.00 C ATOM 782 CG LYS A 54 10.854 22.140 -0.372 1.00 0.00 C ATOM 783 CD LYS A 54 9.823 23.215 -0.070 1.00 0.00 C ATOM 784 CE LYS A 54 9.367 23.158 1.380 1.00 0.00 C ATOM 785 NZ LYS A 54 8.740 24.437 1.814 1.00 0.00 N ATOM 0 H LYS A 54 11.359 20.553 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 54 9.952 22.896 -2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.543 21.800 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.200 23.492 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.347 21.200 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.472 21.970 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.247 24.197 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.963 23.091 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.654 22.343 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.220 22.936 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.443 24.358 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.428 25.211 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.911 24.636 1.219 1.00 0.00 H new ATOM 799 N MET A 55 12.848 23.419 -4.205 1.00 0.00 N ATOM 800 CA MET A 55 13.564 24.355 -5.064 1.00 0.00 C ATOM 801 C MET A 55 12.739 24.700 -6.300 1.00 0.00 C ATOM 802 O MET A 55 12.665 25.860 -6.704 1.00 0.00 O ATOM 803 CB MET A 55 14.912 23.766 -5.484 1.00 0.00 C ATOM 804 CG MET A 55 15.813 23.412 -4.312 1.00 0.00 C ATOM 805 SD MET A 55 16.869 24.784 -3.808 1.00 0.00 S ATOM 806 CE MET A 55 18.379 24.389 -4.688 1.00 0.00 C ATOM 0 H MET A 55 13.366 22.569 -3.983 1.00 0.00 H new ATOM 0 HA MET A 55 13.736 25.270 -4.497 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.738 22.871 -6.081 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.428 24.481 -6.125 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.198 23.102 -3.467 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.436 22.559 -4.582 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.179 24.202 -3.972 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.223 23.499 -5.298 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.655 25.225 -5.330 1.00 0.00 H new ATOM 816 N ALA A 56 12.122 23.685 -6.895 1.00 0.00 N ATOM 817 CA ALA A 56 11.301 23.881 -8.084 1.00 0.00 C ATOM 818 C ALA A 56 10.260 24.973 -7.858 1.00 0.00 C ATOM 819 O ALA A 56 10.152 25.914 -8.644 1.00 0.00 O ATOM 820 CB ALA A 56 10.623 22.578 -8.479 1.00 0.00 C ATOM 0 H ALA A 56 12.175 22.718 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 56 11.954 24.199 -8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.014 22.740 -9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.380 21.823 -8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.988 22.236 -7.662 1.00 0.00 H new ATOM 826 N LYS A 57 9.496 24.841 -6.779 1.00 0.00 N ATOM 827 CA LYS A 57 8.464 25.817 -6.449 1.00 0.00 C ATOM 828 C LYS A 57 9.035 27.231 -6.436 1.00 0.00 C ATOM 829 O LYS A 57 8.546 28.114 -7.140 1.00 0.00 O ATOM 830 CB LYS A 57 7.845 25.493 -5.087 1.00 0.00 C ATOM 831 CG LYS A 57 7.360 24.059 -4.964 1.00 0.00 C ATOM 832 CD LYS A 57 7.515 23.537 -3.546 1.00 0.00 C ATOM 833 CE LYS A 57 6.271 23.806 -2.713 1.00 0.00 C ATOM 834 NZ LYS A 57 6.343 25.120 -2.016 1.00 0.00 N ATOM 0 H LYS A 57 9.572 24.068 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 57 7.691 25.764 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.582 25.686 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.007 26.167 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.313 24.002 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.921 23.424 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.712 22.465 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.378 24.009 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.391 23.784 -3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.148 23.011 -1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.477 25.266 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.168 25.132 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.435 25.881 -2.719 1.00 0.00 H new ATOM 848 N ALA A 58 10.074 27.438 -5.633 1.00 0.00 N ATOM 849 CA ALA A 58 10.713 28.744 -5.532 1.00 0.00 C ATOM 850 C ALA A 58 10.925 29.359 -6.911 1.00 0.00 C ATOM 851 O ALA A 58 10.752 30.564 -7.097 1.00 0.00 O ATOM 852 CB ALA A 58 12.039 28.626 -4.795 1.00 0.00 C ATOM 0 H ALA A 58 10.491 26.718 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 58 10.053 29.402 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.506 29.609 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.864 28.236 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.698 27.948 -5.338 1.00 0.00 H new ATOM 858 N ILE A 59 11.300 28.525 -7.875 1.00 0.00 N ATOM 859 CA ILE A 59 11.535 28.988 -9.237 1.00 0.00 C ATOM 860 C ILE A 59 10.238 29.454 -9.890 1.00 0.00 C ATOM 861 O ILE A 59 10.142 30.586 -10.364 1.00 0.00 O ATOM 862 CB ILE A 59 12.166 27.884 -10.106 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.455 27.371 -9.461 1.00 0.00 C ATOM 864 CG2 ILE A 59 12.440 28.406 -11.509 1.00 0.00 C ATOM 865 CD1 ILE A 59 14.033 26.155 -10.150 1.00 0.00 C ATOM 0 H ILE A 59 11.448 27.525 -7.738 1.00 0.00 H new ATOM 0 HA ILE A 59 12.228 29.827 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 59 11.464 27.054 -10.179 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.197 28.169 -9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.257 27.127 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.886 27.614 -12.111 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.504 28.727 -11.967 1.00 0.00 H new ATOM 0 HG23 ILE A 59 13.126 29.251 -11.455 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.945 25.847 -9.639 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.308 25.341 -10.121 1.00 0.00 H new ATOM 0 HD13 ILE A 59 14.263 26.399 -11.187 1.00 0.00 H new ATOM 877 N MET A 60 9.242 28.574 -9.910 1.00 0.00 N ATOM 878 CA MET A 60 7.949 28.897 -10.503 1.00 0.00 C ATOM 879 C MET A 60 7.505 30.302 -10.106 1.00 0.00 C ATOM 880 O MET A 60 6.934 31.034 -10.914 1.00 0.00 O ATOM 881 CB MET A 60 6.896 27.876 -10.070 1.00 0.00 C ATOM 882 CG MET A 60 7.340 26.433 -10.249 1.00 0.00 C ATOM 883 SD MET A 60 5.960 25.316 -10.566 1.00 0.00 S ATOM 884 CE MET A 60 4.945 25.615 -9.120 1.00 0.00 C ATOM 0 H MET A 60 9.305 27.632 -9.523 1.00 0.00 H new ATOM 0 HA MET A 60 8.055 28.861 -11.587 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.648 28.044 -9.022 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.984 28.041 -10.644 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.047 26.374 -11.076 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.869 26.106 -9.354 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.125 24.897 -9.096 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.551 25.504 -8.221 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.540 26.626 -9.162 1.00 0.00 H new ATOM 894 N ALA A 61 7.771 30.671 -8.857 1.00 0.00 N ATOM 895 CA ALA A 61 7.401 31.988 -8.355 1.00 0.00 C ATOM 896 C ALA A 61 8.308 33.071 -8.930 1.00 0.00 C ATOM 897 O ALA A 61 7.847 33.975 -9.627 1.00 0.00 O ATOM 898 CB ALA A 61 7.452 32.007 -6.834 1.00 0.00 C ATOM 0 H ALA A 61 8.241 30.076 -8.175 1.00 0.00 H new ATOM 0 HA ALA A 61 6.381 32.198 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.173 32.997 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.757 31.267 -6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.463 31.771 -6.501 1.00 0.00 H new ATOM 904 N ASP A 62 9.599 32.973 -8.633 1.00 0.00 N ATOM 905 CA ASP A 62 10.571 33.944 -9.121 1.00 0.00 C ATOM 906 C ASP A 62 11.555 33.290 -10.086 1.00 0.00 C ATOM 907 O ASP A 62 12.153 32.254 -9.795 1.00 0.00 O ATOM 908 CB ASP A 62 11.328 34.573 -7.951 1.00 0.00 C ATOM 909 CG ASP A 62 10.624 35.796 -7.396 1.00 0.00 C ATOM 910 OD1 ASP A 62 9.563 35.632 -6.758 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.134 36.917 -7.600 1.00 0.00 O ATOM 0 H ASP A 62 9.997 32.231 -8.057 1.00 0.00 H new ATOM 0 HA ASP A 62 10.030 34.725 -9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.445 33.834 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.330 34.851 -8.278 1.00 0.00 H new ATOM 916 N PRO A 63 11.728 33.907 -11.265 1.00 0.00 N ATOM 917 CA PRO A 63 12.638 33.402 -12.297 1.00 0.00 C ATOM 918 C PRO A 63 14.103 33.543 -11.897 1.00 0.00 C ATOM 919 O PRO A 63 14.968 32.838 -12.416 1.00 0.00 O ATOM 920 CB PRO A 63 12.327 34.286 -13.507 1.00 0.00 C ATOM 921 CG PRO A 63 11.787 35.547 -12.927 1.00 0.00 C ATOM 922 CD PRO A 63 11.049 35.146 -11.680 1.00 0.00 C ATOM 0 HA PRO A 63 12.495 32.337 -12.481 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.222 34.475 -14.100 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.601 33.812 -14.168 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.591 36.246 -12.697 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.121 36.047 -13.631 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.112 35.916 -10.911 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.990 34.978 -11.876 1.00 0.00 H new ATOM 930 N ASN A 64 14.374 34.456 -10.971 1.00 0.00 N ATOM 931 CA ASN A 64 15.735 34.689 -10.502 1.00 0.00 C ATOM 932 C ASN A 64 16.340 33.409 -9.933 1.00 0.00 C ATOM 933 O ASN A 64 17.451 33.020 -10.295 1.00 0.00 O ATOM 934 CB ASN A 64 15.749 35.790 -9.439 1.00 0.00 C ATOM 935 CG ASN A 64 15.449 37.158 -10.020 1.00 0.00 C ATOM 936 OD1 ASN A 64 16.343 37.845 -10.514 1.00 0.00 O ATOM 937 ND2 ASN A 64 14.185 37.560 -9.962 1.00 0.00 N ATOM 0 H ASN A 64 13.669 35.047 -10.530 1.00 0.00 H new ATOM 0 HA ASN A 64 16.337 35.008 -11.353 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.014 35.557 -8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.725 35.810 -8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.922 38.472 -10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.477 36.957 -9.543 1.00 0.00 H new ATOM 944 N LYS A 65 15.602 32.758 -9.040 1.00 0.00 N ATOM 945 CA LYS A 65 16.064 31.521 -8.421 1.00 0.00 C ATOM 946 C LYS A 65 16.458 30.497 -9.480 1.00 0.00 C ATOM 947 O LYS A 65 17.477 29.819 -9.353 1.00 0.00 O ATOM 948 CB LYS A 65 14.974 30.942 -7.517 1.00 0.00 C ATOM 949 CG LYS A 65 14.858 31.645 -6.175 1.00 0.00 C ATOM 950 CD LYS A 65 15.837 31.076 -5.162 1.00 0.00 C ATOM 951 CE LYS A 65 16.227 32.114 -4.120 1.00 0.00 C ATOM 952 NZ LYS A 65 15.257 32.157 -2.990 1.00 0.00 N ATOM 0 H LYS A 65 14.681 33.067 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 65 16.943 31.751 -7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.016 31.003 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.178 29.885 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.045 32.711 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.841 31.543 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.391 30.213 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.730 30.722 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.222 31.888 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.282 33.096 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.558 32.876 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.312 32.398 -3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.223 31.227 -2.526 1.00 0.00 H new ATOM 966 N ALA A 66 15.644 30.391 -10.526 1.00 0.00 N ATOM 967 CA ALA A 66 15.910 29.452 -11.609 1.00 0.00 C ATOM 968 C ALA A 66 17.406 29.340 -11.883 1.00 0.00 C ATOM 969 O ALA A 66 18.008 28.287 -11.672 1.00 0.00 O ATOM 970 CB ALA A 66 15.171 29.877 -12.869 1.00 0.00 C ATOM 0 H ALA A 66 14.795 30.944 -10.646 1.00 0.00 H new ATOM 0 HA ALA A 66 15.549 28.470 -11.303 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.379 29.167 -13.670 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.099 29.899 -12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.505 30.870 -13.169 1.00 0.00 H new ATOM 976 N ASP A 67 18.000 30.431 -12.355 1.00 0.00 N ATOM 977 CA ASP A 67 19.426 30.455 -12.657 1.00 0.00 C ATOM 978 C ASP A 67 20.226 29.759 -11.561 1.00 0.00 C ATOM 979 O ASP A 67 20.997 28.838 -11.831 1.00 0.00 O ATOM 980 CB ASP A 67 19.910 31.896 -12.823 1.00 0.00 C ATOM 981 CG ASP A 67 18.987 32.720 -13.699 1.00 0.00 C ATOM 982 OD1 ASP A 67 18.263 32.123 -14.524 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.988 33.961 -13.559 1.00 0.00 O ATOM 0 H ASP A 67 17.516 31.310 -12.537 1.00 0.00 H new ATOM 0 HA ASP A 67 19.583 29.918 -13.592 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.989 32.365 -11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.910 31.893 -13.256 1.00 0.00 H new ATOM 988 N GLU A 68 20.039 30.207 -10.323 1.00 0.00 N ATOM 989 CA GLU A 68 20.745 29.629 -9.186 1.00 0.00 C ATOM 990 C GLU A 68 20.465 28.133 -9.076 1.00 0.00 C ATOM 991 O GLU A 68 21.370 27.309 -9.208 1.00 0.00 O ATOM 992 CB GLU A 68 20.335 30.332 -7.891 1.00 0.00 C ATOM 993 CG GLU A 68 20.733 31.798 -7.842 1.00 0.00 C ATOM 994 CD GLU A 68 22.212 31.992 -7.570 1.00 0.00 C ATOM 995 OE1 GLU A 68 23.024 31.708 -8.474 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.557 32.428 -6.452 1.00 0.00 O ATOM 0 H GLU A 68 19.404 30.968 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 68 21.814 29.771 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.254 30.253 -7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.788 29.813 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.476 32.272 -8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.156 32.302 -7.067 1.00 0.00 H new ATOM 1003 N VAL A 69 19.204 27.789 -8.833 1.00 0.00 N ATOM 1004 CA VAL A 69 18.804 26.393 -8.705 1.00 0.00 C ATOM 1005 C VAL A 69 19.424 25.540 -9.806 1.00 0.00 C ATOM 1006 O VAL A 69 20.195 24.619 -9.532 1.00 0.00 O ATOM 1007 CB VAL A 69 17.272 26.242 -8.756 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.877 24.774 -8.697 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.622 27.022 -7.624 1.00 0.00 C ATOM 0 H VAL A 69 18.442 28.458 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 69 19.164 26.048 -7.736 1.00 0.00 H new ATOM 0 HB VAL A 69 16.916 26.652 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.791 24.688 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.312 24.246 -9.545 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.244 24.335 -7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.540 26.904 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.983 26.644 -6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.877 28.078 -7.716 1.00 0.00 H new ATOM 1019 N TYR A 70 19.084 25.852 -11.051 1.00 0.00 N ATOM 1020 CA TYR A 70 19.606 25.113 -12.195 1.00 0.00 C ATOM 1021 C TYR A 70 21.038 24.654 -11.938 1.00 0.00 C ATOM 1022 O TYR A 70 21.344 23.464 -12.013 1.00 0.00 O ATOM 1023 CB TYR A 70 19.555 25.979 -13.455 1.00 0.00 C ATOM 1024 CG TYR A 70 18.151 26.248 -13.948 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.204 25.232 -13.995 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.771 27.516 -14.368 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.920 25.472 -14.445 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.490 27.766 -14.818 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.568 26.741 -14.855 1.00 0.00 C ATOM 1030 OH TYR A 70 14.290 26.985 -15.305 1.00 0.00 O ATOM 0 H TYR A 70 18.449 26.612 -11.294 1.00 0.00 H new ATOM 0 HA TYR A 70 18.981 24.232 -12.342 1.00 0.00 H new ATOM 0 HB2 TYR A 70 20.048 26.930 -13.253 1.00 0.00 H new ATOM 0 HB3 TYR A 70 20.121 25.488 -14.246 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.477 24.237 -13.674 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.491 28.321 -14.342 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.196 24.671 -14.476 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.211 28.759 -15.139 1.00 0.00 H new ATOM 0 HH TYR A 70 14.206 27.929 -15.554 1.00 0.00 H new ATOM 1040 N LYS A 71 21.913 25.607 -11.634 1.00 0.00 N ATOM 1041 CA LYS A 71 23.313 25.303 -11.364 1.00 0.00 C ATOM 1042 C LYS A 71 23.450 24.433 -10.118 1.00 0.00 C ATOM 1043 O LYS A 71 24.208 23.462 -10.107 1.00 0.00 O ATOM 1044 CB LYS A 71 24.112 26.596 -11.186 1.00 0.00 C ATOM 1045 CG LYS A 71 24.700 27.131 -12.480 1.00 0.00 C ATOM 1046 CD LYS A 71 23.659 27.875 -13.299 1.00 0.00 C ATOM 1047 CE LYS A 71 24.306 28.859 -14.261 1.00 0.00 C ATOM 1048 NZ LYS A 71 25.006 28.165 -15.377 1.00 0.00 N ATOM 0 H LYS A 71 21.677 26.597 -11.568 1.00 0.00 H new ATOM 0 HA LYS A 71 23.710 24.752 -12.216 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.464 27.356 -10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.920 26.419 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.532 27.798 -12.254 1.00 0.00 H new ATOM 0 HG3 LYS A 71 25.104 26.305 -13.066 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.056 27.160 -13.859 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.983 28.409 -12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 71 23.544 29.524 -14.668 1.00 0.00 H new ATOM 0 HE3 LYS A 71 25.017 29.483 -13.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 25.434 28.870 -16.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.750 27.550 -14.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 24.323 27.589 -15.910 1.00 0.00 H new ATOM 1062 N LYS A 72 22.712 24.785 -9.071 1.00 0.00 N ATOM 1063 CA LYS A 72 22.748 24.035 -7.821 1.00 0.00 C ATOM 1064 C LYS A 72 22.457 22.558 -8.065 1.00 0.00 C ATOM 1065 O LYS A 72 23.263 21.692 -7.721 1.00 0.00 O ATOM 1066 CB LYS A 72 21.735 24.609 -6.829 1.00 0.00 C ATOM 1067 CG LYS A 72 22.137 25.959 -6.261 1.00 0.00 C ATOM 1068 CD LYS A 72 21.125 26.460 -5.244 1.00 0.00 C ATOM 1069 CE LYS A 72 21.743 27.476 -4.296 1.00 0.00 C ATOM 1070 NZ LYS A 72 22.199 28.698 -5.013 1.00 0.00 N ATOM 0 H LYS A 72 22.081 25.586 -9.063 1.00 0.00 H new ATOM 0 HA LYS A 72 23.750 24.125 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.769 24.706 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.603 23.904 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.117 25.880 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.229 26.683 -7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.280 26.912 -5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.735 25.618 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.014 27.753 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.588 27.022 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 23.184 28.906 -4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.138 28.541 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.594 29.502 -4.749 1.00 0.00 H new ATOM 1084 N TRP A 73 21.304 22.277 -8.659 1.00 0.00 N ATOM 1085 CA TRP A 73 20.908 20.903 -8.950 1.00 0.00 C ATOM 1086 C TRP A 73 22.073 20.114 -9.537 1.00 0.00 C ATOM 1087 O TRP A 73 22.532 19.137 -8.947 1.00 0.00 O ATOM 1088 CB TRP A 73 19.724 20.886 -9.918 1.00 0.00 C ATOM 1089 CG TRP A 73 18.401 21.083 -9.241 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.058 20.687 -7.980 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.244 21.722 -9.792 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.758 21.042 -7.713 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.237 21.679 -8.808 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.962 22.329 -11.018 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.970 22.219 -9.016 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.704 22.864 -11.223 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.721 22.807 -10.226 1.00 0.00 C ATOM 0 H TRP A 73 20.626 22.982 -8.949 1.00 0.00 H new ATOM 0 HA TRP A 73 20.609 20.431 -8.014 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.862 21.668 -10.664 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.713 19.935 -10.451 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.713 20.171 -7.293 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.261 20.861 -6.841 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.713 22.379 -11.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.211 22.175 -8.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.475 23.334 -12.168 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.748 23.235 -10.416 1.00 0.00 H new ATOM 1108 N ALA A 74 22.546 20.544 -10.702 1.00 0.00 N ATOM 1109 CA ALA A 74 23.659 19.879 -11.367 1.00 0.00 C ATOM 1110 C ALA A 74 24.829 19.677 -10.411 1.00 0.00 C ATOM 1111 O ALA A 74 25.477 18.630 -10.420 1.00 0.00 O ATOM 1112 CB ALA A 74 24.101 20.678 -12.584 1.00 0.00 C ATOM 0 H ALA A 74 22.175 21.350 -11.205 1.00 0.00 H new ATOM 0 HA ALA A 74 23.319 18.897 -11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.933 20.169 -13.071 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.270 20.765 -13.284 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.417 21.673 -12.271 1.00 0.00 H new ATOM 1118 N ASP A 75 25.095 20.685 -9.588 1.00 0.00 N ATOM 1119 CA ASP A 75 26.187 20.618 -8.624 1.00 0.00 C ATOM 1120 C ASP A 75 25.955 19.496 -7.617 1.00 0.00 C ATOM 1121 O ASP A 75 26.879 18.764 -7.263 1.00 0.00 O ATOM 1122 CB ASP A 75 26.335 21.954 -7.894 1.00 0.00 C ATOM 1123 CG ASP A 75 27.267 22.908 -8.615 1.00 0.00 C ATOM 1124 OD1 ASP A 75 27.169 23.009 -9.856 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.094 23.553 -7.937 1.00 0.00 O ATOM 0 H ASP A 75 24.569 21.559 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 75 27.107 20.408 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.354 22.418 -7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.711 21.775 -6.887 1.00 0.00 H new ATOM 1130 N LYS A 76 24.715 19.368 -7.157 1.00 0.00 N ATOM 1131 CA LYS A 76 24.360 18.336 -6.190 1.00 0.00 C ATOM 1132 C LYS A 76 24.682 16.948 -6.733 1.00 0.00 C ATOM 1133 O LYS A 76 25.342 16.149 -6.069 1.00 0.00 O ATOM 1134 CB LYS A 76 22.873 18.426 -5.840 1.00 0.00 C ATOM 1135 CG LYS A 76 22.458 19.781 -5.291 1.00 0.00 C ATOM 1136 CD LYS A 76 22.782 19.906 -3.812 1.00 0.00 C ATOM 1137 CE LYS A 76 22.342 21.252 -3.257 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.276 22.344 -3.648 1.00 0.00 N ATOM 0 H LYS A 76 23.939 19.967 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 76 24.950 18.500 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.285 18.209 -6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.634 17.657 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.967 20.570 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.388 19.924 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.288 19.105 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.854 19.782 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.340 21.484 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.284 21.195 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.942 23.245 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 24.227 22.135 -3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.312 22.415 -4.685 1.00 0.00 H new ATOM 1152 N GLY A 77 24.213 16.668 -7.945 1.00 0.00 N ATOM 1153 CA GLY A 77 24.463 15.376 -8.557 1.00 0.00 C ATOM 1154 C GLY A 77 23.189 14.697 -9.019 1.00 0.00 C ATOM 1155 O GLY A 77 22.957 13.526 -8.718 1.00 0.00 O ATOM 0 H GLY A 77 23.664 17.313 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.132 15.504 -9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.976 14.732 -7.842 1.00 0.00 H new ATOM 1159 N TYR A 78 22.362 15.433 -9.752 1.00 0.00 N ATOM 1160 CA TYR A 78 21.102 14.897 -10.254 1.00 0.00 C ATOM 1161 C TYR A 78 21.116 14.807 -11.777 1.00 0.00 C ATOM 1162 O TYR A 78 22.028 15.312 -12.433 1.00 0.00 O ATOM 1163 CB TYR A 78 19.933 15.769 -9.794 1.00 0.00 C ATOM 1164 CG TYR A 78 19.924 16.035 -8.306 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.978 14.989 -7.393 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.860 17.332 -7.812 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.970 15.226 -6.032 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.852 17.579 -6.453 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.907 16.523 -5.567 1.00 0.00 C ATOM 1170 OH TYR A 78 19.898 16.765 -4.213 1.00 0.00 O ATOM 0 H TYR A 78 22.541 16.403 -10.012 1.00 0.00 H new ATOM 0 HA TYR A 78 20.978 13.892 -9.850 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.970 16.721 -10.324 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.997 15.285 -10.073 1.00 0.00 H new ATOM 0 HD1 TYR A 78 20.027 13.972 -7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.816 18.161 -8.502 1.00 0.00 H new ATOM 0 HE1 TYR A 78 20.013 14.401 -5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.803 18.594 -6.086 1.00 0.00 H new ATOM 0 HH TYR A 78 19.852 17.731 -4.054 1.00 0.00 H new ATOM 1180 N THR A 79 20.098 14.160 -12.334 1.00 0.00 N ATOM 1181 CA THR A 79 19.991 14.002 -13.779 1.00 0.00 C ATOM 1182 C THR A 79 18.550 14.171 -14.246 1.00 0.00 C ATOM 1183 O THR A 79 17.633 14.294 -13.433 1.00 0.00 O ATOM 1184 CB THR A 79 20.508 12.623 -14.233 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.879 11.589 -13.469 1.00 0.00 O ATOM 1186 CG2 THR A 79 22.018 12.532 -14.075 1.00 0.00 C ATOM 0 H THR A 79 19.335 13.736 -11.806 1.00 0.00 H new ATOM 0 HA THR A 79 20.609 14.780 -14.228 1.00 0.00 H new ATOM 0 HB THR A 79 20.262 12.496 -15.287 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.211 10.716 -13.764 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.359 11.550 -14.402 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.494 13.302 -14.682 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.284 12.679 -13.028 1.00 0.00 H new ATOM 1194 N LEU A 80 18.356 14.176 -15.560 1.00 0.00 N ATOM 1195 CA LEU A 80 17.025 14.329 -16.137 1.00 0.00 C ATOM 1196 C LEU A 80 16.098 13.210 -15.672 1.00 0.00 C ATOM 1197 O LEU A 80 15.048 13.463 -15.080 1.00 0.00 O ATOM 1198 CB LEU A 80 17.106 14.338 -17.664 1.00 0.00 C ATOM 1199 CG LEU A 80 18.148 15.276 -18.275 1.00 0.00 C ATOM 1200 CD1 LEU A 80 18.313 14.996 -19.760 1.00 0.00 C ATOM 1201 CD2 LEU A 80 17.759 16.729 -18.044 1.00 0.00 C ATOM 0 H LEU A 80 19.104 14.076 -16.246 1.00 0.00 H new ATOM 0 HA LEU A 80 16.616 15.280 -15.796 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.316 13.324 -18.003 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.127 14.609 -18.058 1.00 0.00 H new ATOM 0 HG LEU A 80 19.104 15.095 -17.784 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.058 15.673 -20.177 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.639 13.966 -19.902 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.360 15.148 -20.267 1.00 0.00 H new ATOM 0 HD21 LEU A 80 18.512 17.382 -18.486 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.792 16.925 -18.507 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.694 16.922 -16.973 1.00 0.00 H new ATOM 1213 N THR A 81 16.494 11.970 -15.943 1.00 0.00 N ATOM 1214 CA THR A 81 15.701 10.812 -15.552 1.00 0.00 C ATOM 1215 C THR A 81 15.114 10.993 -14.157 1.00 0.00 C ATOM 1216 O THR A 81 13.897 10.957 -13.977 1.00 0.00 O ATOM 1217 CB THR A 81 16.540 9.521 -15.580 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.237 9.416 -16.827 1.00 0.00 O ATOM 1219 CG2 THR A 81 15.658 8.297 -15.383 1.00 0.00 C ATOM 0 H THR A 81 17.360 11.742 -16.432 1.00 0.00 H new ATOM 0 HA THR A 81 14.891 10.725 -16.276 1.00 0.00 H new ATOM 0 HB THR A 81 17.261 9.566 -14.763 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.769 8.593 -16.836 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.273 7.398 -15.407 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.151 8.365 -14.420 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.917 8.251 -16.181 1.00 0.00 H new ATOM 1227 N GLN A 82 15.987 11.187 -13.173 1.00 0.00 N ATOM 1228 CA GLN A 82 15.553 11.373 -11.794 1.00 0.00 C ATOM 1229 C GLN A 82 14.847 12.714 -11.622 1.00 0.00 C ATOM 1230 O GLN A 82 13.669 12.765 -11.267 1.00 0.00 O ATOM 1231 CB GLN A 82 16.750 11.289 -10.845 1.00 0.00 C ATOM 1232 CG GLN A 82 17.509 9.975 -10.939 1.00 0.00 C ATOM 1233 CD GLN A 82 18.543 9.819 -9.841 1.00 0.00 C ATOM 1234 OE1 GLN A 82 18.794 10.747 -9.072 1.00 0.00 O ATOM 1235 NE2 GLN A 82 19.149 8.640 -9.763 1.00 0.00 N ATOM 0 H GLN A 82 16.998 11.219 -13.306 1.00 0.00 H new ATOM 0 HA GLN A 82 14.848 10.578 -11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.433 12.110 -11.062 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.402 11.426 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.802 9.147 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.002 9.913 -11.909 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.909 7.899 -10.422 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.854 8.475 -9.044 1.00 0.00 H new ATOM 1244 N MET A 83 15.574 13.797 -11.875 1.00 0.00 N ATOM 1245 CA MET A 83 15.016 15.139 -11.748 1.00 0.00 C ATOM 1246 C MET A 83 13.557 15.165 -12.196 1.00 0.00 C ATOM 1247 O MET A 83 12.665 15.496 -11.415 1.00 0.00 O ATOM 1248 CB MET A 83 15.833 16.134 -12.574 1.00 0.00 C ATOM 1249 CG MET A 83 15.191 17.508 -12.678 1.00 0.00 C ATOM 1250 SD MET A 83 15.146 18.375 -11.098 1.00 0.00 S ATOM 1251 CE MET A 83 16.888 18.424 -10.688 1.00 0.00 C ATOM 0 H MET A 83 16.550 13.772 -12.169 1.00 0.00 H new ATOM 0 HA MET A 83 15.061 15.427 -10.698 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.823 16.237 -12.129 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.975 15.731 -13.577 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.742 18.108 -13.402 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.175 17.402 -13.059 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.010 18.751 -9.655 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.318 17.429 -10.807 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.399 19.121 -11.352 1.00 0.00 H new ATOM 1261 N SER A 84 13.324 14.815 -13.456 1.00 0.00 N ATOM 1262 CA SER A 84 11.974 14.803 -14.009 1.00 0.00 C ATOM 1263 C SER A 84 11.047 13.940 -13.158 1.00 0.00 C ATOM 1264 O SER A 84 9.909 14.318 -12.882 1.00 0.00 O ATOM 1265 CB SER A 84 11.994 14.285 -15.448 1.00 0.00 C ATOM 1266 OG SER A 84 12.478 12.955 -15.505 1.00 0.00 O ATOM 0 H SER A 84 14.052 14.536 -14.114 1.00 0.00 H new ATOM 0 HA SER A 84 11.596 15.825 -14.004 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.989 14.328 -15.867 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.623 14.931 -16.061 1.00 0.00 H new ATOM 0 HG SER A 84 13.372 12.915 -15.105 1.00 0.00 H new ATOM 1272 N ASN A 85 11.543 12.778 -12.746 1.00 0.00 N ATOM 1273 CA ASN A 85 10.760 11.860 -11.928 1.00 0.00 C ATOM 1274 C ASN A 85 10.345 12.519 -10.616 1.00 0.00 C ATOM 1275 O ASN A 85 9.199 12.399 -10.183 1.00 0.00 O ATOM 1276 CB ASN A 85 11.561 10.588 -11.642 1.00 0.00 C ATOM 1277 CG ASN A 85 11.652 9.678 -12.851 1.00 0.00 C ATOM 1278 OD1 ASN A 85 11.337 10.081 -13.971 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.084 8.441 -12.630 1.00 0.00 N ATOM 0 H ASN A 85 12.484 12.450 -12.965 1.00 0.00 H new ATOM 0 HA ASN A 85 9.859 11.597 -12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.566 10.860 -11.319 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.096 10.047 -10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.165 7.783 -13.405 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.334 8.149 -11.685 1.00 0.00 H new ATOM 1286 N PHE A 86 11.286 13.216 -9.987 1.00 0.00 N ATOM 1287 CA PHE A 86 11.020 13.894 -8.724 1.00 0.00 C ATOM 1288 C PHE A 86 9.967 14.984 -8.904 1.00 0.00 C ATOM 1289 O PHE A 86 8.915 14.959 -8.264 1.00 0.00 O ATOM 1290 CB PHE A 86 12.308 14.501 -8.164 1.00 0.00 C ATOM 1291 CG PHE A 86 13.339 13.475 -7.787 1.00 0.00 C ATOM 1292 CD1 PHE A 86 12.990 12.371 -7.027 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.656 13.616 -8.192 1.00 0.00 C ATOM 1294 CE1 PHE A 86 13.936 11.425 -6.678 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.606 12.673 -7.847 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.246 11.577 -7.088 1.00 0.00 C ATOM 0 H PHE A 86 12.240 13.326 -10.332 1.00 0.00 H new ATOM 0 HA PHE A 86 10.638 13.156 -8.018 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.734 15.177 -8.905 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.066 15.101 -7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.967 12.248 -6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.944 14.472 -8.784 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.651 10.568 -6.085 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.629 12.793 -8.171 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.987 10.840 -6.816 1.00 0.00 H new ATOM 1306 N LEU A 87 10.259 15.941 -9.778 1.00 0.00 N ATOM 1307 CA LEU A 87 9.339 17.042 -10.043 1.00 0.00 C ATOM 1308 C LEU A 87 7.951 16.518 -10.397 1.00 0.00 C ATOM 1309 O LEU A 87 6.943 17.175 -10.137 1.00 0.00 O ATOM 1310 CB LEU A 87 9.872 17.916 -11.180 1.00 0.00 C ATOM 1311 CG LEU A 87 11.189 18.642 -10.907 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.700 19.315 -12.172 1.00 0.00 C ATOM 1313 CD2 LEU A 87 11.015 19.662 -9.791 1.00 0.00 C ATOM 0 H LEU A 87 11.125 15.977 -10.315 1.00 0.00 H new ATOM 0 HA LEU A 87 9.260 17.643 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.002 17.290 -12.063 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.114 18.660 -11.425 1.00 0.00 H new ATOM 0 HG LEU A 87 11.927 17.907 -10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.638 19.827 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.865 18.563 -12.943 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.964 20.038 -12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.963 20.169 -9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.261 20.394 -10.081 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.696 19.154 -8.881 1.00 0.00 H new ATOM 1325 N LYS A 88 7.906 15.330 -10.989 1.00 0.00 N ATOM 1326 CA LYS A 88 6.641 14.715 -11.376 1.00 0.00 C ATOM 1327 C LYS A 88 5.754 14.483 -10.157 1.00 0.00 C ATOM 1328 O LYS A 88 5.866 13.461 -9.481 1.00 0.00 O ATOM 1329 CB LYS A 88 6.895 13.388 -12.095 1.00 0.00 C ATOM 1330 CG LYS A 88 5.828 13.036 -13.117 1.00 0.00 C ATOM 1331 CD LYS A 88 6.400 12.213 -14.259 1.00 0.00 C ATOM 1332 CE LYS A 88 6.320 10.723 -13.967 1.00 0.00 C ATOM 1333 NZ LYS A 88 6.543 9.905 -15.191 1.00 0.00 N ATOM 0 H LYS A 88 8.731 14.773 -11.212 1.00 0.00 H new ATOM 0 HA LYS A 88 6.126 15.396 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.863 13.434 -12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.955 12.589 -11.356 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.027 12.479 -12.631 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.386 13.950 -13.512 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.855 12.435 -15.177 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.439 12.496 -14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.063 10.460 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.343 10.487 -13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.480 8.895 -14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.819 10.137 -15.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.486 10.111 -15.579 1.00 0.00 H new ATOM 1433 N TYR A 95 4.985 20.909 -12.434 1.00 0.00 N ATOM 1434 CA TYR A 95 6.299 21.540 -12.458 1.00 0.00 C ATOM 1435 C TYR A 95 6.941 21.409 -13.836 1.00 0.00 C ATOM 1436 O TYR A 95 8.134 21.129 -13.953 1.00 0.00 O ATOM 1437 CB TYR A 95 7.208 20.915 -11.398 1.00 0.00 C ATOM 1438 CG TYR A 95 6.771 21.203 -9.980 1.00 0.00 C ATOM 1439 CD1 TYR A 95 7.220 22.335 -9.310 1.00 0.00 C ATOM 1440 CD2 TYR A 95 5.911 20.343 -9.308 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.824 22.602 -8.014 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.509 20.603 -8.012 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.968 21.733 -7.369 1.00 0.00 C ATOM 1444 OH TYR A 95 5.571 21.995 -6.078 1.00 0.00 O ATOM 0 HA TYR A 95 6.169 22.599 -12.237 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.238 19.836 -11.548 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.224 21.285 -11.539 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.890 23.018 -9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.551 19.456 -9.807 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.182 23.486 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.839 19.925 -7.505 1.00 0.00 H new ATOM 0 HH TYR A 95 4.968 21.286 -5.771 1.00 0.00 H new ATOM 1454 N ASP A 96 6.141 21.616 -14.876 1.00 0.00 N ATOM 1455 CA ASP A 96 6.629 21.524 -16.247 1.00 0.00 C ATOM 1456 C ASP A 96 7.528 22.709 -16.584 1.00 0.00 C ATOM 1457 O ASP A 96 8.576 22.548 -17.208 1.00 0.00 O ATOM 1458 CB ASP A 96 5.456 21.461 -17.226 1.00 0.00 C ATOM 1459 CG ASP A 96 4.946 20.048 -17.429 1.00 0.00 C ATOM 1460 OD1 ASP A 96 4.834 19.309 -16.430 1.00 0.00 O ATOM 1461 OD2 ASP A 96 4.661 19.681 -18.589 1.00 0.00 O ATOM 0 H ASP A 96 5.151 21.849 -14.796 1.00 0.00 H new ATOM 0 HA ASP A 96 7.215 20.610 -16.337 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.644 22.087 -16.856 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.765 21.874 -18.186 1.00 0.00 H new ATOM 1466 N ARG A 97 7.108 23.900 -16.169 1.00 0.00 N ATOM 1467 CA ARG A 97 7.874 25.113 -16.430 1.00 0.00 C ATOM 1468 C ARG A 97 9.289 24.993 -15.874 1.00 0.00 C ATOM 1469 O ARG A 97 10.261 25.361 -16.535 1.00 0.00 O ATOM 1470 CB ARG A 97 7.173 26.326 -15.814 1.00 0.00 C ATOM 1471 CG ARG A 97 6.054 26.886 -16.676 1.00 0.00 C ATOM 1472 CD ARG A 97 4.727 26.209 -16.376 1.00 0.00 C ATOM 1473 NE ARG A 97 3.708 26.536 -17.369 1.00 0.00 N ATOM 1474 CZ ARG A 97 2.412 26.296 -17.200 1.00 0.00 C ATOM 1475 NH1 ARG A 97 1.980 25.730 -16.082 1.00 0.00 N ATOM 1476 NH2 ARG A 97 1.546 26.623 -18.151 1.00 0.00 N ATOM 0 H ARG A 97 6.242 24.051 -15.651 1.00 0.00 H new ATOM 0 HA ARG A 97 7.937 25.248 -17.510 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.766 26.045 -14.843 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.910 27.109 -15.636 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.963 27.959 -16.504 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.302 26.751 -17.729 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.870 25.129 -16.346 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.381 26.512 -15.388 1.00 0.00 H new ATOM 0 HE ARG A 97 4.007 26.973 -18.241 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.643 25.478 -15.349 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.985 25.547 -15.955 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.875 27.059 -19.012 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.551 26.438 -18.020 1.00 0.00 H new ATOM 1490 N VAL A 98 9.399 24.476 -14.654 1.00 0.00 N ATOM 1491 CA VAL A 98 10.695 24.306 -14.009 1.00 0.00 C ATOM 1492 C VAL A 98 11.572 23.332 -14.786 1.00 0.00 C ATOM 1493 O VAL A 98 12.651 23.692 -15.258 1.00 0.00 O ATOM 1494 CB VAL A 98 10.540 23.800 -12.562 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.903 23.613 -11.913 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.681 24.758 -11.752 1.00 0.00 C ATOM 0 H VAL A 98 8.605 24.168 -14.093 1.00 0.00 H new ATOM 0 HA VAL A 98 11.172 25.286 -13.994 1.00 0.00 H new ATOM 0 HB VAL A 98 10.040 22.832 -12.585 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.774 23.255 -10.892 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.480 22.884 -12.482 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.433 24.565 -11.899 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.582 24.385 -10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.150 25.742 -11.734 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.694 24.835 -12.207 1.00 0.00 H new ATOM 1506 N TYR A 99 11.103 22.096 -14.916 1.00 0.00 N ATOM 1507 CA TYR A 99 11.845 21.068 -15.635 1.00 0.00 C ATOM 1508 C TYR A 99 12.346 21.595 -16.976 1.00 0.00 C ATOM 1509 O TYR A 99 13.542 21.557 -17.263 1.00 0.00 O ATOM 1510 CB TYR A 99 10.967 19.834 -15.855 1.00 0.00 C ATOM 1511 CG TYR A 99 11.677 18.705 -16.566 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.831 18.140 -16.037 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.195 18.203 -17.769 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.483 17.108 -16.684 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.840 17.171 -18.422 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.984 16.627 -17.876 1.00 0.00 C ATOM 1517 OH TYR A 99 13.630 15.600 -18.524 1.00 0.00 O ATOM 0 H TYR A 99 10.212 21.782 -14.532 1.00 0.00 H new ATOM 0 HA TYR A 99 12.707 20.789 -15.030 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.609 19.476 -14.890 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.089 20.122 -16.434 1.00 0.00 H new ATOM 0 HD1 TYR A 99 13.225 18.514 -15.104 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.301 18.627 -18.201 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.379 16.680 -16.258 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.451 16.792 -19.355 1.00 0.00 H new ATOM 0 HH TYR A 99 13.149 15.379 -19.349 1.00 0.00 H new ATOM 1527 N ASN A 100 11.421 22.087 -17.794 1.00 0.00 N ATOM 1528 CA ASN A 100 11.767 22.622 -19.106 1.00 0.00 C ATOM 1529 C ASN A 100 13.123 23.320 -19.068 1.00 0.00 C ATOM 1530 O ASN A 100 13.985 23.072 -19.910 1.00 0.00 O ATOM 1531 CB ASN A 100 10.691 23.600 -19.581 1.00 0.00 C ATOM 1532 CG ASN A 100 9.495 22.892 -20.190 1.00 0.00 C ATOM 1533 OD1 ASN A 100 9.296 21.695 -19.981 1.00 0.00 O ATOM 1534 ND2 ASN A 100 8.693 23.631 -20.947 1.00 0.00 N ATOM 0 H ASN A 100 10.426 22.126 -17.571 1.00 0.00 H new ATOM 0 HA ASN A 100 11.826 21.789 -19.806 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.360 24.209 -18.740 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.121 24.280 -20.317 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.873 23.210 -21.383 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.897 24.620 -21.093 1.00 0.00 H new ATOM 1541 N GLY A 101 13.305 24.195 -18.083 1.00 0.00 N ATOM 1542 CA GLY A 101 14.558 24.916 -17.953 1.00 0.00 C ATOM 1543 C GLY A 101 15.742 23.990 -17.761 1.00 0.00 C ATOM 1544 O GLY A 101 16.721 24.061 -18.504 1.00 0.00 O ATOM 0 H GLY A 101 12.607 24.417 -17.373 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.717 25.525 -18.843 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.494 25.600 -17.106 1.00 0.00 H new ATOM 1548 N TYR A 102 15.654 23.119 -16.761 1.00 0.00 N ATOM 1549 CA TYR A 102 16.729 22.178 -16.471 1.00 0.00 C ATOM 1550 C TYR A 102 17.126 21.401 -17.723 1.00 0.00 C ATOM 1551 O TYR A 102 18.284 21.419 -18.138 1.00 0.00 O ATOM 1552 CB TYR A 102 16.301 21.207 -15.369 1.00 0.00 C ATOM 1553 CG TYR A 102 17.462 20.575 -14.634 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.426 21.360 -14.013 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.596 19.194 -14.562 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.489 20.788 -13.341 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.654 18.613 -13.891 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.598 19.414 -13.283 1.00 0.00 C ATOM 1559 OH TYR A 102 20.655 18.839 -12.615 1.00 0.00 O ATOM 0 H TYR A 102 14.850 23.046 -16.138 1.00 0.00 H new ATOM 0 HA TYR A 102 17.594 22.747 -16.130 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.674 21.737 -14.653 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.688 20.420 -15.808 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.343 22.436 -14.056 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.860 18.564 -15.039 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.230 21.413 -12.864 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.742 17.538 -13.843 1.00 0.00 H new ATOM 0 HH TYR A 102 20.583 17.863 -12.667 1.00 0.00 H new ATOM 1569 N VAL A 103 16.154 20.719 -18.321 1.00 0.00 N ATOM 1570 CA VAL A 103 16.399 19.936 -19.526 1.00 0.00 C ATOM 1571 C VAL A 103 17.399 20.635 -20.441 1.00 0.00 C ATOM 1572 O VAL A 103 18.438 20.072 -20.786 1.00 0.00 O ATOM 1573 CB VAL A 103 15.095 19.684 -20.306 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.381 18.930 -21.596 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.097 18.925 -19.445 1.00 0.00 C ATOM 0 H VAL A 103 15.189 20.693 -17.990 1.00 0.00 H new ATOM 0 HA VAL A 103 16.812 18.980 -19.204 1.00 0.00 H new ATOM 0 HB VAL A 103 14.656 20.647 -20.566 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.448 18.761 -22.133 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.057 19.517 -22.218 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.844 17.971 -21.362 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.182 18.756 -20.012 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.525 17.966 -19.152 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.868 19.508 -18.553 1.00 0.00 H new ATOM 1585 N ILE A 104 17.078 21.864 -20.830 1.00 0.00 N ATOM 1586 CA ILE A 104 17.949 22.641 -21.703 1.00 0.00 C ATOM 1587 C ILE A 104 19.304 22.887 -21.049 1.00 0.00 C ATOM 1588 O ILE A 104 20.338 22.889 -21.719 1.00 0.00 O ATOM 1589 CB ILE A 104 17.315 23.995 -22.071 1.00 0.00 C ATOM 1590 CG1 ILE A 104 15.966 23.781 -22.761 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.252 24.793 -22.965 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.083 25.008 -22.756 1.00 0.00 C ATOM 0 H ILE A 104 16.221 22.343 -20.554 1.00 0.00 H new ATOM 0 HA ILE A 104 18.088 22.056 -22.612 1.00 0.00 H new ATOM 0 HB ILE A 104 17.148 24.562 -21.155 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.139 23.472 -23.792 1.00 0.00 H new ATOM 0 HG13 ILE A 104 15.441 22.963 -22.268 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.790 25.748 -23.217 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.191 24.971 -22.441 1.00 0.00 H new ATOM 0 HG23 ILE A 104 18.448 24.233 -23.879 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.144 24.783 -23.262 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.879 25.305 -21.727 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.589 25.822 -23.275 1.00 0.00 H new ATOM 1604 N HIS A 105 19.293 23.094 -19.736 1.00 0.00 N ATOM 1605 CA HIS A 105 20.522 23.339 -18.990 1.00 0.00 C ATOM 1606 C HIS A 105 21.448 22.128 -19.055 1.00 0.00 C ATOM 1607 O HIS A 105 22.668 22.271 -19.147 1.00 0.00 O ATOM 1608 CB HIS A 105 20.201 23.674 -17.533 1.00 0.00 C ATOM 1609 CG HIS A 105 21.418 23.882 -16.685 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.259 24.965 -16.829 1.00 0.00 N ATOM 1611 CD2 HIS A 105 21.932 23.139 -15.677 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.239 24.879 -15.947 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.064 23.780 -15.235 1.00 0.00 N ATOM 0 H HIS A 105 18.447 23.097 -19.167 1.00 0.00 H new ATOM 0 HA HIS A 105 21.032 24.188 -19.446 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.588 24.575 -17.502 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.604 22.868 -17.106 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.528 22.215 -15.292 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.046 25.587 -15.828 1.00 0.00 H new ATOM 0 HE2 HIS A 105 23.671 23.460 -14.480 1.00 0.00 H new ATOM 1622 N LEU A 106 20.861 20.938 -19.006 1.00 0.00 N ATOM 1623 CA LEU A 106 21.633 19.701 -19.058 1.00 0.00 C ATOM 1624 C LEU A 106 21.996 19.346 -20.496 1.00 0.00 C ATOM 1625 O LEU A 106 23.086 18.841 -20.765 1.00 0.00 O ATOM 1626 CB LEU A 106 20.842 18.556 -18.422 1.00 0.00 C ATOM 1627 CG LEU A 106 21.007 18.384 -16.912 1.00 0.00 C ATOM 1628 CD1 LEU A 106 22.383 17.826 -16.585 1.00 0.00 C ATOM 1629 CD2 LEU A 106 20.783 19.709 -16.197 1.00 0.00 C ATOM 0 H LEU A 106 19.853 20.803 -18.930 1.00 0.00 H new ATOM 0 HA LEU A 106 22.555 19.853 -18.497 1.00 0.00 H new ATOM 0 HB2 LEU A 106 19.784 18.709 -18.637 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.135 17.625 -18.908 1.00 0.00 H new ATOM 0 HG LEU A 106 20.258 17.674 -16.563 1.00 0.00 H new ATOM 0 HD11 LEU A 106 22.482 17.711 -15.506 1.00 0.00 H new ATOM 0 HD12 LEU A 106 22.506 16.856 -17.066 1.00 0.00 H new ATOM 0 HD13 LEU A 106 23.149 18.511 -16.948 1.00 0.00 H new ATOM 0 HD21 LEU A 106 20.904 19.568 -15.123 1.00 0.00 H new ATOM 0 HD22 LEU A 106 21.509 20.441 -16.551 1.00 0.00 H new ATOM 0 HD23 LEU A 106 19.775 20.068 -16.404 1.00 0.00 H new