USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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 82 THR OG1 : rot -48:sc= 1.17 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0.057 USER MOD Single : A 43 ASN : amide:sc= -4.75! C(o=-4.8!,f=-6.2!) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -0.202 (180deg=-2.36!) USER MOD Single : A 51 GLN : amide:sc= -0.31 K(o=-0.31,f=-1.1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.256 F(o=-1.4,f=-0.26) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= -0.748 (180deg=-2.45!) USER MOD Single : A 75 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-3.4!) USER MOD Single : A 87 SER OG : rot -29:sc= 0.724 USER MOD Single : A 90 THR OG1 : rot 133:sc= 0.226 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 93 ASN : amide:sc= 0.814 K(o=0.81,f=-0.69) USER MOD Single : A 100 ASN : amide:sc= -0.0056 K(o=-0.0056,f=-0.9) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0656) USER MOD Single : A 113 SER OG : rot -23:sc= 0.418 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 13.991 -2.129 -2.268 1.00 0.00 N ATOM 676 CA ASN A 43 14.933 -1.819 -1.252 1.00 0.00 C ATOM 677 C ASN A 43 16.306 -2.218 -1.678 1.00 0.00 C ATOM 678 O ASN A 43 16.463 -3.167 -2.434 1.00 0.00 O ATOM 679 CB ASN A 43 14.553 -2.500 0.059 1.00 0.00 C ATOM 680 CG ASN A 43 13.318 -1.894 0.744 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.595 -2.577 1.461 1.00 0.00 O ATOM 682 ND2 ASN A 43 13.075 -0.620 0.540 1.00 0.00 N ATOM 0 HA ASN A 43 14.924 -0.741 -1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.367 -3.557 -0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.399 -2.445 0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.270 -0.177 0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.692 -0.073 -0.061 1.00 0.00 H new ATOM 689 N LEU A 44 17.295 -1.477 -1.230 1.00 0.00 N ATOM 690 CA LEU A 44 18.684 -1.773 -1.534 1.00 0.00 C ATOM 691 C LEU A 44 19.583 -1.505 -0.339 1.00 0.00 C ATOM 692 O LEU A 44 19.139 -0.994 0.711 1.00 0.00 O ATOM 693 CB LEU A 44 19.201 -1.025 -2.788 1.00 0.00 C ATOM 694 CG LEU A 44 18.715 -1.542 -4.161 1.00 0.00 C ATOM 695 CD1 LEU A 44 19.282 -0.694 -5.286 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.114 -3.004 -4.368 1.00 0.00 C ATOM 0 H LEU A 44 17.163 -0.652 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 44 18.722 -2.838 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 44 18.915 0.023 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 44 20.290 -1.060 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 44 17.627 -1.470 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 44 18.927 -1.075 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 44 18.955 0.339 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 44 20.371 -0.736 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 44 18.760 -3.343 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.199 -3.095 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.667 -3.617 -3.586 1.00 0.00 H new ATOM 708 N ILE A 45 20.832 -1.846 -0.503 1.00 0.00 N ATOM 709 CA ILE A 45 21.840 -1.718 0.513 1.00 0.00 C ATOM 710 C ILE A 45 23.116 -1.151 -0.090 1.00 0.00 C ATOM 711 O ILE A 45 23.453 -1.456 -1.236 1.00 0.00 O ATOM 712 CB ILE A 45 22.114 -3.094 1.217 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.432 -3.076 1.928 1.00 0.00 C ATOM 714 CG2 ILE A 45 22.187 -4.174 0.222 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.645 -4.177 2.913 1.00 0.00 C ATOM 0 H ILE A 45 21.188 -2.234 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 45 21.477 -1.028 1.275 1.00 0.00 H new ATOM 0 HB ILE A 45 21.298 -3.260 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.227 -3.119 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 45 23.532 -2.123 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.377 -5.121 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 45 21.243 -4.235 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.995 -3.968 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.629 -4.071 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 45 22.878 -4.127 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.584 -5.138 2.403 1.00 0.00 H new ATOM 727 N VAL A 46 23.799 -0.319 0.667 1.00 0.00 N ATOM 728 CA VAL A 46 25.025 0.277 0.231 1.00 0.00 C ATOM 729 C VAL A 46 26.101 0.044 1.280 1.00 0.00 C ATOM 730 O VAL A 46 25.939 0.392 2.453 1.00 0.00 O ATOM 731 CB VAL A 46 24.869 1.789 -0.017 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.188 2.400 -0.444 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.816 2.062 -1.069 1.00 0.00 C ATOM 0 H VAL A 46 23.511 -0.041 1.605 1.00 0.00 H new ATOM 0 HA VAL A 46 25.308 -0.190 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 46 24.552 2.246 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.056 3.469 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 46 26.931 2.246 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.528 1.925 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.727 3.137 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.104 1.583 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.858 1.663 -0.737 1.00 0.00 H new ATOM 743 N LYS A 47 27.164 -0.569 0.856 1.00 0.00 N ATOM 744 CA LYS A 47 28.305 -0.866 1.689 1.00 0.00 C ATOM 745 C LYS A 47 29.583 -0.870 0.864 1.00 0.00 C ATOM 746 O LYS A 47 29.723 -1.649 -0.093 1.00 0.00 O ATOM 747 CB LYS A 47 28.130 -2.177 2.521 1.00 0.00 C ATOM 748 CG LYS A 47 27.066 -3.166 2.016 1.00 0.00 C ATOM 749 CD LYS A 47 27.297 -3.708 0.598 1.00 0.00 C ATOM 750 CE LYS A 47 28.419 -4.738 0.498 1.00 0.00 C ATOM 751 NZ LYS A 47 29.747 -4.204 0.835 1.00 0.00 N ATOM 0 H LYS A 47 27.271 -0.889 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 47 28.383 -0.067 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.090 -2.693 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 47 27.882 -1.901 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.019 -4.008 2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 47 26.093 -2.675 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.372 -4.158 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 47 27.524 -2.874 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 47 28.194 -5.572 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 47 28.445 -5.136 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 30.480 -4.773 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 29.816 -3.217 0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 29.886 -4.244 1.865 1.00 0.00 H new ATOM 764 N ALA A 48 30.503 -0.033 1.243 1.00 0.00 N ATOM 765 CA ALA A 48 31.726 0.181 0.505 1.00 0.00 C ATOM 766 C ALA A 48 32.912 0.124 1.436 1.00 0.00 C ATOM 767 O ALA A 48 32.741 0.003 2.645 1.00 0.00 O ATOM 768 CB ALA A 48 31.674 1.526 -0.202 1.00 0.00 C ATOM 0 H ALA A 48 30.429 0.533 2.088 1.00 0.00 H new ATOM 0 HA ALA A 48 31.833 -0.606 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.599 1.681 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.830 1.542 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.555 2.320 0.535 1.00 0.00 H new ATOM 774 N ASP A 49 34.095 0.217 0.865 1.00 0.00 N ATOM 775 CA ASP A 49 35.355 0.170 1.612 1.00 0.00 C ATOM 776 C ASP A 49 35.649 1.544 2.221 1.00 0.00 C ATOM 777 O ASP A 49 36.287 1.664 3.285 1.00 0.00 O ATOM 778 CB ASP A 49 36.477 -0.290 0.666 1.00 0.00 C ATOM 779 CG ASP A 49 37.883 -0.179 1.226 1.00 0.00 C ATOM 780 OD1 ASP A 49 38.312 -1.070 1.988 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.611 0.767 0.837 1.00 0.00 O ATOM 0 H ASP A 49 34.220 0.329 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 49 35.285 -0.542 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 49 36.294 -1.329 0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.421 0.298 -0.250 1.00 0.00 H new ATOM 786 N VAL A 50 35.165 2.569 1.546 1.00 0.00 N ATOM 787 CA VAL A 50 35.241 3.929 2.010 1.00 0.00 C ATOM 788 C VAL A 50 33.870 4.323 2.581 1.00 0.00 C ATOM 789 O VAL A 50 32.838 4.140 1.920 1.00 0.00 O ATOM 790 CB VAL A 50 35.646 4.881 0.855 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.601 6.329 1.295 1.00 0.00 C ATOM 792 CG2 VAL A 50 37.035 4.533 0.346 1.00 0.00 C ATOM 0 H VAL A 50 34.700 2.471 0.643 1.00 0.00 H new ATOM 0 HA VAL A 50 36.003 4.012 2.785 1.00 0.00 H new ATOM 0 HB VAL A 50 34.927 4.750 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.890 6.971 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.590 6.581 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.291 6.479 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.306 5.210 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.756 4.633 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 50 37.042 3.507 -0.021 1.00 0.00 H new ATOM 802 N GLN A 51 33.864 4.873 3.777 1.00 0.00 N ATOM 803 CA GLN A 51 32.632 5.184 4.500 1.00 0.00 C ATOM 804 C GLN A 51 31.807 6.248 3.789 1.00 0.00 C ATOM 805 O GLN A 51 30.622 6.118 3.680 1.00 0.00 O ATOM 806 CB GLN A 51 32.959 5.523 5.978 1.00 0.00 C ATOM 807 CG GLN A 51 31.768 5.574 6.950 1.00 0.00 C ATOM 808 CD GLN A 51 30.916 6.821 6.844 1.00 0.00 C ATOM 809 OE1 GLN A 51 31.409 7.908 6.507 1.00 0.00 O ATOM 810 NE2 GLN A 51 29.659 6.691 7.147 1.00 0.00 N ATOM 0 H GLN A 51 34.714 5.121 4.284 1.00 0.00 H new ATOM 0 HA GLN A 51 31.992 4.302 4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.670 4.784 6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 51 33.462 6.490 6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 51 31.136 4.703 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 51 32.145 5.494 7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 51 29.292 5.779 7.419 1.00 0.00 H new ATOM 0 HE22 GLN A 51 29.040 7.501 7.112 1.00 0.00 H new ATOM 819 N GLY A 52 32.419 7.251 3.257 1.00 0.00 N ATOM 820 CA GLY A 52 31.629 8.237 2.557 1.00 0.00 C ATOM 821 C GLY A 52 31.324 7.845 1.136 1.00 0.00 C ATOM 822 O GLY A 52 30.663 8.587 0.408 1.00 0.00 O ATOM 0 H GLY A 52 33.425 7.418 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.693 8.393 3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 52 32.160 9.189 2.560 1.00 0.00 H new ATOM 826 N SER A 53 31.751 6.663 0.736 1.00 0.00 N ATOM 827 CA SER A 53 31.476 6.208 -0.591 1.00 0.00 C ATOM 828 C SER A 53 30.089 5.643 -0.546 1.00 0.00 C ATOM 829 O SER A 53 29.331 5.706 -1.527 1.00 0.00 O ATOM 830 CB SER A 53 32.506 5.161 -1.058 1.00 0.00 C ATOM 831 OG SER A 53 32.276 4.753 -2.396 1.00 0.00 O ATOM 0 H SER A 53 32.284 6.013 1.314 1.00 0.00 H new ATOM 0 HA SER A 53 31.548 7.021 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 53 33.510 5.576 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.464 4.292 -0.401 1.00 0.00 H new ATOM 0 HG SER A 53 32.950 4.090 -2.656 1.00 0.00 H new ATOM 837 N VAL A 54 29.725 5.152 0.646 1.00 0.00 N ATOM 838 CA VAL A 54 28.417 4.683 0.861 1.00 0.00 C ATOM 839 C VAL A 54 27.490 5.859 0.855 1.00 0.00 C ATOM 840 O VAL A 54 26.521 5.867 0.130 1.00 0.00 O ATOM 841 CB VAL A 54 28.230 3.829 2.160 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.200 2.698 2.245 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.171 4.605 3.466 1.00 0.00 C ATOM 0 H VAL A 54 30.343 5.084 1.455 1.00 0.00 H new ATOM 0 HA VAL A 54 28.186 3.992 0.050 1.00 0.00 H new ATOM 0 HB VAL A 54 27.227 3.420 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.027 2.138 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.066 2.038 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.217 3.090 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.040 3.911 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 54 29.099 5.161 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.332 5.300 3.438 1.00 0.00 H new ATOM 853 N GLU A 55 27.876 6.898 1.582 1.00 0.00 N ATOM 854 CA GLU A 55 27.056 8.092 1.714 1.00 0.00 C ATOM 855 C GLU A 55 26.779 8.770 0.382 1.00 0.00 C ATOM 856 O GLU A 55 25.646 9.218 0.134 1.00 0.00 O ATOM 857 CB GLU A 55 27.638 9.072 2.709 1.00 0.00 C ATOM 858 CG GLU A 55 27.782 8.494 4.094 1.00 0.00 C ATOM 859 CD GLU A 55 27.967 9.550 5.132 1.00 0.00 C ATOM 860 OE1 GLU A 55 29.087 10.013 5.349 1.00 0.00 O ATOM 861 OE2 GLU A 55 26.968 9.940 5.769 1.00 0.00 O ATOM 0 H GLU A 55 28.758 6.937 2.092 1.00 0.00 H new ATOM 0 HA GLU A 55 26.096 7.750 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.615 9.402 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 55 27.001 9.955 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 55 26.897 7.904 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 55 28.634 7.814 4.115 1.00 0.00 H new ATOM 868 N ALA A 56 27.788 8.807 -0.479 1.00 0.00 N ATOM 869 CA ALA A 56 27.660 9.392 -1.809 1.00 0.00 C ATOM 870 C ALA A 56 26.581 8.668 -2.620 1.00 0.00 C ATOM 871 O ALA A 56 25.823 9.292 -3.374 1.00 0.00 O ATOM 872 CB ALA A 56 28.997 9.346 -2.538 1.00 0.00 C ATOM 0 H ALA A 56 28.716 8.434 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 56 27.359 10.434 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.886 9.786 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.740 9.909 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.323 8.310 -2.635 1.00 0.00 H new ATOM 878 N LEU A 57 26.490 7.363 -2.431 1.00 0.00 N ATOM 879 CA LEU A 57 25.512 6.562 -3.141 1.00 0.00 C ATOM 880 C LEU A 57 24.158 6.582 -2.410 1.00 0.00 C ATOM 881 O LEU A 57 23.115 6.726 -3.029 1.00 0.00 O ATOM 882 CB LEU A 57 26.043 5.128 -3.335 1.00 0.00 C ATOM 883 CG LEU A 57 25.126 4.132 -4.064 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.712 4.672 -5.425 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.836 2.799 -4.243 1.00 0.00 C ATOM 0 H LEU A 57 27.083 6.836 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 57 25.348 6.992 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 57 26.982 5.187 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 57 26.274 4.717 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 57 24.232 3.990 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.064 3.950 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.176 5.612 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.600 4.842 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 57 25.177 2.102 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.742 2.945 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 57 26.099 2.393 -3.266 1.00 0.00 H new ATOM 897 N VAL A 58 24.202 6.483 -1.093 1.00 0.00 N ATOM 898 CA VAL A 58 23.011 6.490 -0.223 1.00 0.00 C ATOM 899 C VAL A 58 22.145 7.720 -0.442 1.00 0.00 C ATOM 900 O VAL A 58 20.922 7.620 -0.507 1.00 0.00 O ATOM 901 CB VAL A 58 23.425 6.392 1.272 1.00 0.00 C ATOM 902 CG1 VAL A 58 22.268 6.680 2.220 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.962 5.025 1.549 1.00 0.00 C ATOM 0 H VAL A 58 25.077 6.393 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 58 22.417 5.616 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 58 24.188 7.150 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.613 6.598 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.894 7.688 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.468 5.960 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 58 24.253 4.954 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 58 23.194 4.282 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.831 4.841 0.918 1.00 0.00 H new ATOM 913 N ALA A 59 22.770 8.858 -0.597 1.00 0.00 N ATOM 914 CA ALA A 59 22.040 10.110 -0.798 1.00 0.00 C ATOM 915 C ALA A 59 21.334 10.141 -2.146 1.00 0.00 C ATOM 916 O ALA A 59 20.394 10.893 -2.340 1.00 0.00 O ATOM 917 CB ALA A 59 22.953 11.304 -0.630 1.00 0.00 C ATOM 0 H ALA A 59 23.785 8.957 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 59 21.269 10.165 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 59 22.385 12.221 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.373 11.302 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 59 23.761 11.250 -1.360 1.00 0.00 H new ATOM 923 N ALA A 60 21.746 9.281 -3.041 1.00 0.00 N ATOM 924 CA ALA A 60 21.151 9.217 -4.346 1.00 0.00 C ATOM 925 C ALA A 60 20.133 8.126 -4.351 1.00 0.00 C ATOM 926 O ALA A 60 19.145 8.188 -5.045 1.00 0.00 O ATOM 927 CB ALA A 60 22.207 8.945 -5.395 1.00 0.00 C ATOM 0 H ALA A 60 22.499 8.610 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 60 20.678 10.171 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.740 8.899 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.947 9.745 -5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.696 7.994 -5.181 1.00 0.00 H new ATOM 933 N LEU A 61 20.359 7.167 -3.507 1.00 0.00 N ATOM 934 CA LEU A 61 19.547 5.996 -3.433 1.00 0.00 C ATOM 935 C LEU A 61 18.287 6.268 -2.621 1.00 0.00 C ATOM 936 O LEU A 61 17.262 5.664 -2.834 1.00 0.00 O ATOM 937 CB LEU A 61 20.362 4.880 -2.801 1.00 0.00 C ATOM 938 CG LEU A 61 20.348 3.528 -3.511 1.00 0.00 C ATOM 939 CD1 LEU A 61 18.937 2.975 -3.623 1.00 0.00 C ATOM 940 CD2 LEU A 61 20.999 3.644 -4.882 1.00 0.00 C ATOM 0 H LEU A 61 21.129 7.178 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 61 19.236 5.700 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.397 5.215 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.003 4.732 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 61 20.926 2.825 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.963 2.012 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.517 2.846 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.318 3.670 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.982 2.673 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.451 4.368 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 61 22.031 3.975 -4.768 1.00 0.00 H new ATOM 952 N GLN A 62 18.372 7.185 -1.694 1.00 0.00 N ATOM 953 CA GLN A 62 17.219 7.522 -0.880 1.00 0.00 C ATOM 954 C GLN A 62 16.224 8.378 -1.658 1.00 0.00 C ATOM 955 O GLN A 62 15.036 8.371 -1.374 1.00 0.00 O ATOM 956 CB GLN A 62 17.640 8.203 0.425 1.00 0.00 C ATOM 957 CG GLN A 62 18.413 9.504 0.254 1.00 0.00 C ATOM 958 CD GLN A 62 18.898 10.055 1.575 1.00 0.00 C ATOM 959 OE1 GLN A 62 20.069 9.645 1.986 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 18.212 10.837 2.230 1.00 0.00 N flip ATOM 0 H GLN A 62 19.218 7.713 -1.479 1.00 0.00 H new ATOM 0 HA GLN A 62 16.717 6.591 -0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.747 8.404 1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.252 7.507 0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.266 9.335 -0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.776 10.242 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.302 11.136 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.552 11.187 3.125 1.00 0.00 H new ATOM 969 N LYS A 63 16.711 9.060 -2.673 1.00 0.00 N ATOM 970 CA LYS A 63 15.880 9.954 -3.467 1.00 0.00 C ATOM 971 C LYS A 63 15.319 9.250 -4.710 1.00 0.00 C ATOM 972 O LYS A 63 14.685 9.888 -5.561 1.00 0.00 O ATOM 973 CB LYS A 63 16.666 11.220 -3.865 1.00 0.00 C ATOM 974 CG LYS A 63 17.865 10.964 -4.767 1.00 0.00 C ATOM 975 CD LYS A 63 18.657 12.234 -5.055 1.00 0.00 C ATOM 976 CE LYS A 63 17.844 13.269 -5.820 1.00 0.00 C ATOM 977 NZ LYS A 63 18.621 14.498 -6.056 1.00 0.00 N ATOM 0 H LYS A 63 17.685 9.015 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 63 15.034 10.252 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 63 15.989 11.909 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.010 11.718 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.519 10.230 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.523 10.531 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.997 12.667 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.548 11.980 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.525 12.850 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.941 13.510 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.038 15.182 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.904 14.910 -5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.470 14.270 -6.612 1.00 0.00 H new ATOM 1098 N VAL A 71 12.840 3.294 -4.935 1.00 0.00 N ATOM 1099 CA VAL A 71 13.868 2.476 -4.321 1.00 0.00 C ATOM 1100 C VAL A 71 14.491 3.258 -3.191 1.00 0.00 C ATOM 1101 O VAL A 71 14.709 4.455 -3.324 1.00 0.00 O ATOM 1102 CB VAL A 71 14.988 2.077 -5.334 1.00 0.00 C ATOM 1103 CG1 VAL A 71 15.936 1.049 -4.735 1.00 0.00 C ATOM 1104 CG2 VAL A 71 14.415 1.576 -6.649 1.00 0.00 C ATOM 0 HA VAL A 71 13.401 1.559 -3.963 1.00 0.00 H new ATOM 0 HB VAL A 71 15.556 2.982 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.703 0.793 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.407 1.464 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.378 0.152 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.229 1.310 -7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.795 0.699 -6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.809 2.360 -7.104 1.00 0.00 H new ATOM 1114 N LYS A 72 14.727 2.616 -2.080 1.00 0.00 N ATOM 1115 CA LYS A 72 15.361 3.265 -0.955 1.00 0.00 C ATOM 1116 C LYS A 72 16.306 2.290 -0.268 1.00 0.00 C ATOM 1117 O LYS A 72 16.145 1.064 -0.373 1.00 0.00 O ATOM 1118 CB LYS A 72 14.300 3.813 0.036 1.00 0.00 C ATOM 1119 CG LYS A 72 14.877 4.542 1.262 1.00 0.00 C ATOM 1120 CD LYS A 72 13.810 5.097 2.219 1.00 0.00 C ATOM 1121 CE LYS A 72 13.118 6.382 1.726 1.00 0.00 C ATOM 1122 NZ LYS A 72 12.249 6.202 0.539 1.00 0.00 N ATOM 0 H LYS A 72 14.489 1.636 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 72 15.940 4.116 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.642 4.498 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.683 2.983 0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.520 3.855 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.506 5.364 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.052 4.331 2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.274 5.297 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.518 6.790 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.882 7.123 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.410 6.811 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.776 6.461 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.950 5.208 0.475 1.00 0.00 H new ATOM 1135 N ILE A 73 17.285 2.832 0.410 1.00 0.00 N ATOM 1136 CA ILE A 73 18.248 2.066 1.143 1.00 0.00 C ATOM 1137 C ILE A 73 17.837 1.918 2.597 1.00 0.00 C ATOM 1138 O ILE A 73 17.056 2.716 3.108 1.00 0.00 O ATOM 1139 CB ILE A 73 19.681 2.667 1.046 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.704 4.224 1.070 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.386 2.144 -0.173 1.00 0.00 C ATOM 1142 CD1 ILE A 73 19.179 4.875 2.338 1.00 0.00 C ATOM 0 H ILE A 73 17.434 3.839 0.466 1.00 0.00 H new ATOM 0 HA ILE A 73 18.275 1.078 0.683 1.00 0.00 H new ATOM 0 HB ILE A 73 20.213 2.343 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.730 4.556 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 73 19.118 4.590 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.386 2.573 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.460 1.058 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 73 19.824 2.421 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.242 5.959 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 73 18.140 4.584 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.778 4.549 3.189 1.00 0.00 H new ATOM 1154 N ILE A 74 18.309 0.879 3.239 1.00 0.00 N ATOM 1155 CA ILE A 74 17.991 0.662 4.655 1.00 0.00 C ATOM 1156 C ILE A 74 19.264 0.549 5.457 1.00 0.00 C ATOM 1157 O ILE A 74 19.349 0.976 6.608 1.00 0.00 O ATOM 1158 CB ILE A 74 17.133 -0.645 4.909 1.00 0.00 C ATOM 1159 CG1 ILE A 74 15.853 -0.683 4.069 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.777 -0.805 6.383 1.00 0.00 C ATOM 1161 CD1 ILE A 74 16.071 -1.081 2.646 1.00 0.00 C ATOM 0 H ILE A 74 18.910 0.168 2.822 1.00 0.00 H new ATOM 0 HA ILE A 74 17.398 1.522 4.967 1.00 0.00 H new ATOM 0 HB ILE A 74 17.765 -1.478 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.151 -1.380 4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.386 0.302 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.188 -1.712 6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.691 -0.874 6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.197 0.057 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.117 -1.084 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.747 -0.371 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 74 16.508 -2.079 2.610 1.00 0.00 H new ATOM 1173 N HIS A 75 20.268 0.035 4.827 1.00 0.00 N ATOM 1174 CA HIS A 75 21.468 -0.323 5.502 1.00 0.00 C ATOM 1175 C HIS A 75 22.673 0.195 4.731 1.00 0.00 C ATOM 1176 O HIS A 75 22.992 -0.293 3.644 1.00 0.00 O ATOM 1177 CB HIS A 75 21.451 -1.856 5.676 1.00 0.00 C ATOM 1178 CG HIS A 75 22.664 -2.530 6.280 1.00 0.00 C ATOM 1179 ND1 HIS A 75 23.617 -1.903 7.040 1.00 0.00 N ATOM 1180 CD2 HIS A 75 23.066 -3.812 6.178 1.00 0.00 C ATOM 1181 CE1 HIS A 75 24.556 -2.770 7.363 1.00 0.00 C ATOM 1182 NE2 HIS A 75 24.248 -3.934 6.850 1.00 0.00 N ATOM 0 H HIS A 75 20.278 -0.149 3.824 1.00 0.00 H new ATOM 0 HA HIS A 75 21.539 0.133 6.489 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.590 -2.109 6.294 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.281 -2.299 4.695 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.546 -4.602 5.657 1.00 0.00 H new ATOM 0 HE1 HIS A 75 25.434 -2.555 7.953 1.00 0.00 H new ATOM 0 HE2 HIS A 75 24.798 -4.788 6.938 1.00 0.00 H new ATOM 1190 N ALA A 76 23.259 1.227 5.271 1.00 0.00 N ATOM 1191 CA ALA A 76 24.434 1.868 4.732 1.00 0.00 C ATOM 1192 C ALA A 76 25.553 1.707 5.729 1.00 0.00 C ATOM 1193 O ALA A 76 25.460 2.221 6.857 1.00 0.00 O ATOM 1194 CB ALA A 76 24.151 3.337 4.531 1.00 0.00 C ATOM 0 H ALA A 76 22.922 1.663 6.129 1.00 0.00 H new ATOM 0 HA ALA A 76 24.709 1.421 3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.036 3.826 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.319 3.456 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.893 3.792 5.487 1.00 0.00 H new ATOM 1200 N ALA A 77 26.572 0.984 5.368 1.00 0.00 N ATOM 1201 CA ALA A 77 27.661 0.740 6.282 1.00 0.00 C ATOM 1202 C ALA A 77 28.960 0.615 5.539 1.00 0.00 C ATOM 1203 O ALA A 77 28.976 0.327 4.345 1.00 0.00 O ATOM 1204 CB ALA A 77 27.403 -0.523 7.095 1.00 0.00 C ATOM 0 H ALA A 77 26.677 0.551 4.450 1.00 0.00 H new ATOM 0 HA ALA A 77 27.729 1.589 6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.235 -0.692 7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.482 -0.407 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.308 -1.376 6.422 1.00 0.00 H new ATOM 1210 N VAL A 78 30.039 0.823 6.227 1.00 0.00 N ATOM 1211 CA VAL A 78 31.332 0.676 5.629 1.00 0.00 C ATOM 1212 C VAL A 78 31.868 -0.741 5.885 1.00 0.00 C ATOM 1213 O VAL A 78 32.283 -1.093 7.001 1.00 0.00 O ATOM 1214 CB VAL A 78 32.336 1.793 6.082 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.492 1.874 7.598 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.682 1.615 5.412 1.00 0.00 C ATOM 0 H VAL A 78 30.051 1.097 7.209 1.00 0.00 H new ATOM 0 HA VAL A 78 31.226 0.809 4.552 1.00 0.00 H new ATOM 0 HB VAL A 78 31.907 2.742 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 78 33.199 2.665 7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.526 2.093 8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 78 32.863 0.922 7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.360 2.402 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.096 0.643 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.560 1.672 4.330 1.00 0.00 H new ATOM 1226 N GLY A 79 31.760 -1.564 4.877 1.00 0.00 N ATOM 1227 CA GLY A 79 32.206 -2.906 4.972 1.00 0.00 C ATOM 1228 C GLY A 79 32.063 -3.638 3.668 1.00 0.00 C ATOM 1229 O GLY A 79 31.463 -3.118 2.701 1.00 0.00 O ATOM 0 H GLY A 79 31.359 -1.313 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.250 -2.920 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 79 31.636 -3.424 5.743 1.00 0.00 H new ATOM 1233 N ALA A 80 32.605 -4.831 3.627 1.00 0.00 N ATOM 1234 CA ALA A 80 32.486 -5.732 2.503 1.00 0.00 C ATOM 1235 C ALA A 80 31.130 -6.462 2.621 1.00 0.00 C ATOM 1236 O ALA A 80 30.179 -5.883 3.130 1.00 0.00 O ATOM 1237 CB ALA A 80 33.654 -6.700 2.550 1.00 0.00 C ATOM 0 H ALA A 80 33.156 -5.214 4.395 1.00 0.00 H new ATOM 0 HA ALA A 80 32.514 -5.207 1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.587 -7.392 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.590 -6.144 2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.625 -7.260 3.485 1.00 0.00 H new ATOM 1243 N ILE A 81 30.994 -7.654 2.094 1.00 0.00 N ATOM 1244 CA ILE A 81 29.736 -8.368 2.289 1.00 0.00 C ATOM 1245 C ILE A 81 29.834 -9.226 3.529 1.00 0.00 C ATOM 1246 O ILE A 81 30.606 -10.195 3.565 1.00 0.00 O ATOM 1247 CB ILE A 81 29.269 -9.262 1.073 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.785 -8.446 -0.120 1.00 0.00 C ATOM 1249 CG2 ILE A 81 28.163 -10.215 1.484 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.839 -7.709 -0.861 1.00 0.00 C ATOM 0 H ILE A 81 31.702 -8.143 1.546 1.00 0.00 H new ATOM 0 HA ILE A 81 28.977 -7.592 2.388 1.00 0.00 H new ATOM 0 HB ILE A 81 30.155 -9.820 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.278 -9.116 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 81 28.043 -7.729 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.863 -10.816 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.523 -10.870 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 81 27.307 -9.645 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.387 -7.162 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.333 -7.007 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.572 -8.416 -1.250 1.00 0.00 H new ATOM 1262 N THR A 82 29.104 -8.869 4.536 1.00 0.00 N ATOM 1263 CA THR A 82 29.065 -9.666 5.711 1.00 0.00 C ATOM 1264 C THR A 82 27.711 -10.350 5.808 1.00 0.00 C ATOM 1265 O THR A 82 26.769 -9.973 5.094 1.00 0.00 O ATOM 1266 CB THR A 82 29.407 -8.866 7.002 1.00 0.00 C ATOM 1267 OG1 THR A 82 28.563 -7.703 7.142 1.00 0.00 O ATOM 1268 CG2 THR A 82 30.865 -8.440 7.000 1.00 0.00 C ATOM 0 H THR A 82 28.527 -8.028 4.565 1.00 0.00 H new ATOM 0 HA THR A 82 29.845 -10.423 5.631 1.00 0.00 H new ATOM 0 HB THR A 82 29.227 -9.527 7.850 1.00 0.00 H new ATOM 0 HG1 THR A 82 28.537 -7.214 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 82 31.082 -7.882 7.911 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.502 -9.323 6.954 1.00 0.00 H new ATOM 0 HG23 THR A 82 31.058 -7.808 6.133 1.00 0.00 H new ATOM 1276 N GLU A 83 27.617 -11.346 6.662 1.00 0.00 N ATOM 1277 CA GLU A 83 26.413 -12.148 6.815 1.00 0.00 C ATOM 1278 C GLU A 83 25.208 -11.271 7.241 1.00 0.00 C ATOM 1279 O GLU A 83 24.089 -11.451 6.771 1.00 0.00 O ATOM 1280 CB GLU A 83 26.704 -13.242 7.837 1.00 0.00 C ATOM 1281 CG GLU A 83 25.595 -14.230 8.061 1.00 0.00 C ATOM 1282 CD GLU A 83 25.922 -15.183 9.174 1.00 0.00 C ATOM 1283 OE1 GLU A 83 26.067 -14.731 10.327 1.00 0.00 O ATOM 1284 OE2 GLU A 83 26.038 -16.404 8.930 1.00 0.00 O ATOM 0 H GLU A 83 28.380 -11.628 7.278 1.00 0.00 H new ATOM 0 HA GLU A 83 26.140 -12.602 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 83 27.593 -13.786 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 83 26.945 -12.770 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 83 24.674 -13.697 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 83 25.414 -14.789 7.143 1.00 0.00 H new ATOM 1291 N SER A 84 25.480 -10.276 8.057 1.00 0.00 N ATOM 1292 CA SER A 84 24.467 -9.373 8.564 1.00 0.00 C ATOM 1293 C SER A 84 23.898 -8.462 7.461 1.00 0.00 C ATOM 1294 O SER A 84 22.760 -7.977 7.557 1.00 0.00 O ATOM 1295 CB SER A 84 25.058 -8.568 9.724 1.00 0.00 C ATOM 1296 OG SER A 84 26.360 -8.085 9.388 1.00 0.00 O ATOM 0 H SER A 84 26.421 -10.068 8.391 1.00 0.00 H new ATOM 0 HA SER A 84 23.622 -9.957 8.928 1.00 0.00 H new ATOM 0 HB2 SER A 84 24.404 -7.730 9.963 1.00 0.00 H new ATOM 0 HB3 SER A 84 25.115 -9.192 10.616 1.00 0.00 H new ATOM 0 HG SER A 84 26.722 -7.571 10.140 1.00 0.00 H new ATOM 1302 N ASP A 85 24.673 -8.259 6.403 1.00 0.00 N ATOM 1303 CA ASP A 85 24.230 -7.450 5.267 1.00 0.00 C ATOM 1304 C ASP A 85 23.232 -8.243 4.481 1.00 0.00 C ATOM 1305 O ASP A 85 22.193 -7.739 4.051 1.00 0.00 O ATOM 1306 CB ASP A 85 25.390 -7.067 4.327 1.00 0.00 C ATOM 1307 CG ASP A 85 26.452 -6.220 4.965 1.00 0.00 C ATOM 1308 OD1 ASP A 85 26.136 -5.134 5.492 1.00 0.00 O ATOM 1309 OD2 ASP A 85 27.629 -6.644 4.966 1.00 0.00 O ATOM 0 H ASP A 85 25.613 -8.643 6.305 1.00 0.00 H new ATOM 0 HA ASP A 85 23.801 -6.529 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.850 -7.979 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.984 -6.533 3.468 1.00 0.00 H new ATOM 1314 N ILE A 86 23.543 -9.504 4.336 1.00 0.00 N ATOM 1315 CA ILE A 86 22.738 -10.439 3.586 1.00 0.00 C ATOM 1316 C ILE A 86 21.398 -10.682 4.259 1.00 0.00 C ATOM 1317 O ILE A 86 20.363 -10.808 3.591 1.00 0.00 O ATOM 1318 CB ILE A 86 23.500 -11.743 3.417 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.803 -11.444 2.699 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.680 -12.774 2.664 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.604 -12.650 2.389 1.00 0.00 C ATOM 0 H ILE A 86 24.380 -9.921 4.743 1.00 0.00 H new ATOM 0 HA ILE A 86 22.534 -10.012 2.604 1.00 0.00 H new ATOM 0 HB ILE A 86 23.709 -12.172 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 86 24.583 -10.917 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.400 -10.771 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.256 -13.693 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.762 -12.981 3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.432 -12.390 1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.520 -12.356 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 86 25.856 -13.167 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 86 25.026 -13.315 1.747 1.00 0.00 H new ATOM 1333 N SER A 87 21.403 -10.669 5.570 1.00 0.00 N ATOM 1334 CA SER A 87 20.196 -10.846 6.335 1.00 0.00 C ATOM 1335 C SER A 87 19.221 -9.664 6.179 1.00 0.00 C ATOM 1336 O SER A 87 18.084 -9.724 6.625 1.00 0.00 O ATOM 1337 CB SER A 87 20.548 -11.136 7.780 1.00 0.00 C ATOM 1338 OG SER A 87 21.371 -12.296 7.833 1.00 0.00 O ATOM 0 H SER A 87 22.242 -10.536 6.134 1.00 0.00 H new ATOM 0 HA SER A 87 19.657 -11.707 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 87 21.069 -10.285 8.219 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.641 -11.291 8.365 1.00 0.00 H new ATOM 0 HG SER A 87 21.152 -12.887 7.082 1.00 0.00 H new ATOM 1344 N LEU A 88 19.679 -8.599 5.545 1.00 0.00 N ATOM 1345 CA LEU A 88 18.825 -7.488 5.212 1.00 0.00 C ATOM 1346 C LEU A 88 18.279 -7.701 3.793 1.00 0.00 C ATOM 1347 O LEU A 88 17.128 -7.368 3.488 1.00 0.00 O ATOM 1348 CB LEU A 88 19.613 -6.145 5.360 1.00 0.00 C ATOM 1349 CG LEU A 88 18.889 -4.816 5.001 1.00 0.00 C ATOM 1350 CD1 LEU A 88 18.926 -4.542 3.502 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.451 -4.873 5.462 1.00 0.00 C ATOM 0 H LEU A 88 20.649 -8.486 5.251 1.00 0.00 H new ATOM 0 HA LEU A 88 17.978 -7.429 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.949 -6.070 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.506 -6.214 4.739 1.00 0.00 H new ATOM 0 HG LEU A 88 19.414 -4.007 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.410 -3.605 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.962 -4.469 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.432 -5.356 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.950 -3.939 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.944 -5.703 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.421 -5.018 6.542 1.00 0.00 H new ATOM 1363 N ALA A 89 19.087 -8.322 2.970 1.00 0.00 N ATOM 1364 CA ALA A 89 18.764 -8.569 1.583 1.00 0.00 C ATOM 1365 C ALA A 89 17.519 -9.439 1.447 1.00 0.00 C ATOM 1366 O ALA A 89 16.563 -9.052 0.806 1.00 0.00 O ATOM 1367 CB ALA A 89 19.950 -9.190 0.885 1.00 0.00 C ATOM 0 H ALA A 89 20.002 -8.676 3.247 1.00 0.00 H new ATOM 0 HA ALA A 89 18.538 -7.617 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 89 19.702 -9.374 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 89 20.801 -8.512 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.204 -10.133 1.369 1.00 0.00 H new ATOM 1373 N THR A 90 17.506 -10.580 2.102 1.00 0.00 N ATOM 1374 CA THR A 90 16.343 -11.465 2.046 1.00 0.00 C ATOM 1375 C THR A 90 15.175 -10.884 2.903 1.00 0.00 C ATOM 1376 O THR A 90 14.010 -11.282 2.753 1.00 0.00 O ATOM 1377 CB THR A 90 16.716 -12.921 2.519 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.602 -13.826 2.383 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.222 -12.936 3.954 1.00 0.00 C ATOM 0 H THR A 90 18.276 -10.922 2.677 1.00 0.00 H new ATOM 0 HA THR A 90 16.012 -11.527 1.009 1.00 0.00 H new ATOM 0 HB THR A 90 17.520 -13.261 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.903 -14.652 1.951 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.468 -13.958 4.242 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.112 -12.312 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.448 -12.549 4.617 1.00 0.00 H new ATOM 1387 N ALA A 91 15.492 -9.890 3.738 1.00 0.00 N ATOM 1388 CA ALA A 91 14.525 -9.315 4.646 1.00 0.00 C ATOM 1389 C ALA A 91 13.580 -8.361 3.949 1.00 0.00 C ATOM 1390 O ALA A 91 12.390 -8.641 3.831 1.00 0.00 O ATOM 1391 CB ALA A 91 15.205 -8.633 5.818 1.00 0.00 C ATOM 0 H ALA A 91 16.421 -9.472 3.795 1.00 0.00 H new ATOM 0 HA ALA A 91 13.928 -10.142 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.450 -8.211 6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.803 -9.361 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.851 -7.836 5.450 1.00 0.00 H new ATOM 1397 N SER A 92 14.102 -7.258 3.467 1.00 0.00 N ATOM 1398 CA SER A 92 13.285 -6.242 2.853 1.00 0.00 C ATOM 1399 C SER A 92 13.360 -6.307 1.336 1.00 0.00 C ATOM 1400 O SER A 92 12.817 -5.468 0.653 1.00 0.00 O ATOM 1401 CB SER A 92 13.712 -4.883 3.380 1.00 0.00 C ATOM 1402 OG SER A 92 15.111 -4.707 3.248 1.00 0.00 O ATOM 0 H SER A 92 15.099 -7.042 3.490 1.00 0.00 H new ATOM 0 HA SER A 92 12.241 -6.413 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.189 -4.097 2.835 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.427 -4.789 4.428 1.00 0.00 H new ATOM 0 HG SER A 92 15.364 -3.825 3.592 1.00 0.00 H new ATOM 1408 N ASN A 93 14.043 -7.325 0.859 1.00 0.00 N ATOM 1409 CA ASN A 93 14.295 -7.641 -0.557 1.00 0.00 C ATOM 1410 C ASN A 93 15.244 -6.685 -1.244 1.00 0.00 C ATOM 1411 O ASN A 93 14.920 -5.993 -2.207 1.00 0.00 O ATOM 1412 CB ASN A 93 13.068 -8.145 -1.425 1.00 0.00 C ATOM 1413 CG ASN A 93 12.197 -7.121 -2.221 1.00 0.00 C ATOM 1414 OD1 ASN A 93 11.673 -7.467 -3.284 1.00 0.00 O ATOM 1415 ND2 ASN A 93 12.003 -5.930 -1.746 1.00 0.00 N ATOM 0 H ASN A 93 14.472 -8.009 1.482 1.00 0.00 H new ATOM 0 HA ASN A 93 14.855 -8.574 -0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 93 13.455 -8.868 -2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.400 -8.687 -0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 93 11.413 -5.269 -2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.441 -5.654 -0.867 1.00 0.00 H new ATOM 1422 N ALA A 94 16.411 -6.607 -0.663 1.00 0.00 N ATOM 1423 CA ALA A 94 17.501 -5.853 -1.202 1.00 0.00 C ATOM 1424 C ALA A 94 18.513 -6.823 -1.795 1.00 0.00 C ATOM 1425 O ALA A 94 18.421 -8.025 -1.579 1.00 0.00 O ATOM 1426 CB ALA A 94 18.146 -5.023 -0.101 1.00 0.00 C ATOM 0 H ALA A 94 16.631 -7.077 0.215 1.00 0.00 H new ATOM 0 HA ALA A 94 17.144 -5.176 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.976 -4.450 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.408 -4.340 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.517 -5.684 0.683 1.00 0.00 H new ATOM 1432 N ILE A 95 19.455 -6.318 -2.543 1.00 0.00 N ATOM 1433 CA ILE A 95 20.516 -7.133 -3.099 1.00 0.00 C ATOM 1434 C ILE A 95 21.827 -6.523 -2.648 1.00 0.00 C ATOM 1435 O ILE A 95 22.012 -5.306 -2.760 1.00 0.00 O ATOM 1436 CB ILE A 95 20.462 -7.183 -4.668 1.00 0.00 C ATOM 1437 CG1 ILE A 95 19.133 -7.795 -5.176 1.00 0.00 C ATOM 1438 CG2 ILE A 95 21.661 -7.938 -5.255 1.00 0.00 C ATOM 1439 CD1 ILE A 95 18.896 -9.242 -4.760 1.00 0.00 C ATOM 0 H ILE A 95 19.515 -5.330 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 95 20.407 -8.160 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 95 20.513 -6.151 -5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 95 18.306 -7.186 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 95 19.115 -7.737 -6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 95 21.586 -7.950 -6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 95 22.585 -7.440 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 95 21.665 -8.962 -4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 95 17.942 -9.584 -5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 95 19.699 -9.868 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 95 18.877 -9.309 -3.672 1.00 0.00 H new ATOM 1451 N VAL A 96 22.723 -7.338 -2.136 1.00 0.00 N ATOM 1452 CA VAL A 96 23.967 -6.835 -1.616 1.00 0.00 C ATOM 1453 C VAL A 96 25.029 -6.905 -2.697 1.00 0.00 C ATOM 1454 O VAL A 96 25.542 -7.984 -3.027 1.00 0.00 O ATOM 1455 CB VAL A 96 24.463 -7.633 -0.381 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.602 -6.922 0.309 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.343 -7.934 0.594 1.00 0.00 C ATOM 0 H VAL A 96 22.610 -8.350 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 96 23.791 -5.806 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 96 24.833 -8.589 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 96 25.927 -7.506 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.434 -6.807 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.269 -5.939 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.739 -8.494 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.908 -6.999 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.576 -8.526 0.095 1.00 0.00 H new ATOM 1467 N ILE A 97 25.307 -5.777 -3.276 1.00 0.00 N ATOM 1468 CA ILE A 97 26.320 -5.674 -4.273 1.00 0.00 C ATOM 1469 C ILE A 97 27.603 -5.162 -3.624 1.00 0.00 C ATOM 1470 O ILE A 97 27.567 -4.330 -2.703 1.00 0.00 O ATOM 1471 CB ILE A 97 25.870 -4.750 -5.462 1.00 0.00 C ATOM 1472 CG1 ILE A 97 26.964 -4.668 -6.550 1.00 0.00 C ATOM 1473 CG2 ILE A 97 25.478 -3.351 -4.965 1.00 0.00 C ATOM 1474 CD1 ILE A 97 26.575 -3.856 -7.769 1.00 0.00 C ATOM 0 H ILE A 97 24.833 -4.899 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 97 26.501 -6.660 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 97 24.985 -5.200 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 97 27.863 -4.235 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 97 27.219 -5.679 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 97 25.172 -2.737 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 97 24.652 -3.434 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 97 26.332 -2.888 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 97 27.400 -3.851 -8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 97 25.695 -4.299 -8.236 1.00 0.00 H new ATOM 0 HD13 ILE A 97 26.349 -2.833 -7.468 1.00 0.00 H new ATOM 1486 N GLY A 98 28.700 -5.698 -4.035 1.00 0.00 N ATOM 1487 CA GLY A 98 29.954 -5.276 -3.535 1.00 0.00 C ATOM 1488 C GLY A 98 30.918 -5.092 -4.648 1.00 0.00 C ATOM 1489 O GLY A 98 30.894 -5.832 -5.628 1.00 0.00 O ATOM 0 H GLY A 98 28.748 -6.443 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 98 29.838 -4.341 -2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 98 30.339 -6.013 -2.830 1.00 0.00 H new ATOM 1493 N PHE A 99 31.785 -4.153 -4.507 1.00 0.00 N ATOM 1494 CA PHE A 99 32.710 -3.871 -5.549 1.00 0.00 C ATOM 1495 C PHE A 99 34.109 -4.069 -5.041 1.00 0.00 C ATOM 1496 O PHE A 99 34.554 -3.378 -4.132 1.00 0.00 O ATOM 1497 CB PHE A 99 32.461 -2.481 -6.198 1.00 0.00 C ATOM 1498 CG PHE A 99 32.481 -1.297 -5.270 1.00 0.00 C ATOM 1499 CD1 PHE A 99 31.337 -0.911 -4.592 1.00 0.00 C ATOM 1500 CD2 PHE A 99 33.639 -0.561 -5.095 1.00 0.00 C ATOM 1501 CE1 PHE A 99 31.352 0.179 -3.754 1.00 0.00 C ATOM 1502 CE2 PHE A 99 33.659 0.528 -4.261 1.00 0.00 C ATOM 1503 CZ PHE A 99 32.514 0.901 -3.592 1.00 0.00 C ATOM 0 H PHE A 99 31.874 -3.565 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 99 32.559 -4.576 -6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 99 33.215 -2.324 -6.969 1.00 0.00 H new ATOM 0 HB3 PHE A 99 31.493 -2.506 -6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 99 30.423 -1.472 -4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 99 34.538 -0.847 -5.621 1.00 0.00 H new ATOM 0 HE1 PHE A 99 30.456 0.468 -3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 99 34.571 1.092 -4.129 1.00 0.00 H new ATOM 0 HZ PHE A 99 32.527 1.761 -2.939 1.00 0.00 H new ATOM 1513 N ASN A 100 34.730 -5.133 -5.540 1.00 0.00 N ATOM 1514 CA ASN A 100 36.117 -5.566 -5.221 1.00 0.00 C ATOM 1515 C ASN A 100 36.240 -6.148 -3.789 1.00 0.00 C ATOM 1516 O ASN A 100 36.906 -7.139 -3.585 1.00 0.00 O ATOM 1517 CB ASN A 100 37.143 -4.438 -5.457 1.00 0.00 C ATOM 1518 CG ASN A 100 38.579 -4.928 -5.422 1.00 0.00 C ATOM 1519 OD1 ASN A 100 38.873 -6.076 -5.792 1.00 0.00 O ATOM 1520 ND2 ASN A 100 39.480 -4.077 -5.030 1.00 0.00 N ATOM 0 H ASN A 100 34.274 -5.755 -6.208 1.00 0.00 H new ATOM 0 HA ASN A 100 36.352 -6.373 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 100 36.947 -3.972 -6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 100 37.009 -3.667 -4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 100 40.464 -4.345 -5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 100 39.203 -3.142 -4.732 1.00 0.00 H new ATOM 1527 N VAL A 101 35.533 -5.528 -2.850 1.00 0.00 N ATOM 1528 CA VAL A 101 35.485 -5.879 -1.420 1.00 0.00 C ATOM 1529 C VAL A 101 35.325 -7.372 -1.126 1.00 0.00 C ATOM 1530 O VAL A 101 36.035 -7.906 -0.280 1.00 0.00 O ATOM 1531 CB VAL A 101 34.379 -5.090 -0.662 1.00 0.00 C ATOM 1532 CG1 VAL A 101 34.797 -3.656 -0.410 1.00 0.00 C ATOM 1533 CG2 VAL A 101 33.051 -5.109 -1.415 1.00 0.00 C ATOM 0 H VAL A 101 34.945 -4.724 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 101 36.470 -5.589 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 101 34.241 -5.592 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 101 34.002 -3.133 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 101 35.705 -3.642 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 101 34.985 -3.159 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 101 32.306 -4.547 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 101 33.183 -4.654 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 101 32.715 -6.139 -1.534 1.00 0.00 H new ATOM 1543 N ARG A 102 34.369 -8.018 -1.812 1.00 0.00 N ATOM 1544 CA ARG A 102 34.095 -9.462 -1.665 1.00 0.00 C ATOM 1545 C ARG A 102 33.383 -9.784 -0.335 1.00 0.00 C ATOM 1546 O ARG A 102 33.171 -8.887 0.477 1.00 0.00 O ATOM 1547 CB ARG A 102 35.375 -10.266 -1.896 1.00 0.00 C ATOM 1548 CG ARG A 102 35.825 -10.194 -3.333 1.00 0.00 C ATOM 1549 CD ARG A 102 37.303 -10.415 -3.457 1.00 0.00 C ATOM 1550 NE ARG A 102 37.752 -11.671 -2.847 1.00 0.00 N ATOM 1551 CZ ARG A 102 38.950 -12.233 -3.032 1.00 0.00 C ATOM 1552 NH1 ARG A 102 39.818 -11.698 -3.880 1.00 0.00 N ATOM 1553 NH2 ARG A 102 39.275 -13.330 -2.363 1.00 0.00 N ATOM 0 H ARG A 102 33.761 -7.555 -2.487 1.00 0.00 H new ATOM 0 HA ARG A 102 33.388 -9.768 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 102 36.165 -9.887 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 102 35.207 -11.307 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 102 35.293 -10.943 -3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 102 35.565 -9.220 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 102 37.577 -10.413 -4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 102 37.829 -9.583 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 102 37.097 -12.154 -2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 102 39.573 -10.853 -4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 102 40.731 -12.132 -4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 102 38.611 -13.744 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 102 40.189 -13.761 -2.503 1.00 0.00 H new ATOM 1566 N PRO A 103 32.885 -11.017 -0.134 1.00 0.00 N ATOM 1567 CA PRO A 103 32.215 -11.379 1.093 1.00 0.00 C ATOM 1568 C PRO A 103 33.084 -12.078 2.096 1.00 0.00 C ATOM 1569 O PRO A 103 34.214 -12.514 1.813 1.00 0.00 O ATOM 1570 CB PRO A 103 31.155 -12.385 0.640 1.00 0.00 C ATOM 1571 CG PRO A 103 31.498 -12.742 -0.783 1.00 0.00 C ATOM 1572 CD PRO A 103 32.836 -12.129 -1.083 1.00 0.00 C ATOM 0 HA PRO A 103 31.853 -10.477 1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 103 31.161 -13.270 1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 103 30.156 -11.954 0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 103 31.533 -13.824 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.739 -12.364 -1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.652 -12.835 -0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.905 -11.787 -2.116 1.00 0.00 H new ATOM 1580 N ASP A 104 32.538 -12.178 3.259 1.00 0.00 N ATOM 1581 CA ASP A 104 33.057 -13.000 4.298 1.00 0.00 C ATOM 1582 C ASP A 104 32.700 -14.435 3.942 1.00 0.00 C ATOM 1583 O ASP A 104 31.710 -14.671 3.225 1.00 0.00 O ATOM 1584 CB ASP A 104 32.421 -12.608 5.636 1.00 0.00 C ATOM 1585 CG ASP A 104 32.764 -13.563 6.747 1.00 0.00 C ATOM 1586 OD1 ASP A 104 33.877 -13.490 7.288 1.00 0.00 O ATOM 1587 OD2 ASP A 104 31.930 -14.421 7.072 1.00 0.00 O ATOM 0 H ASP A 104 31.691 -11.674 3.522 1.00 0.00 H new ATOM 0 HA ASP A 104 34.136 -12.883 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 104 32.751 -11.606 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 104 31.338 -12.567 5.520 1.00 0.00 H new ATOM 1592 N ALA A 105 33.480 -15.373 4.407 1.00 0.00 N ATOM 1593 CA ALA A 105 33.272 -16.771 4.113 1.00 0.00 C ATOM 1594 C ALA A 105 31.898 -17.263 4.578 1.00 0.00 C ATOM 1595 O ALA A 105 31.274 -18.058 3.900 1.00 0.00 O ATOM 1596 CB ALA A 105 34.391 -17.609 4.698 1.00 0.00 C ATOM 0 H ALA A 105 34.285 -15.190 5.006 1.00 0.00 H new ATOM 0 HA ALA A 105 33.290 -16.885 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.218 -18.660 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.343 -17.295 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.418 -17.475 5.779 1.00 0.00 H new ATOM 1602 N ASN A 106 31.393 -16.756 5.697 1.00 0.00 N ATOM 1603 CA ASN A 106 30.069 -17.182 6.142 1.00 0.00 C ATOM 1604 C ASN A 106 29.007 -16.468 5.383 1.00 0.00 C ATOM 1605 O ASN A 106 27.919 -16.989 5.208 1.00 0.00 O ATOM 1606 CB ASN A 106 29.822 -17.010 7.633 1.00 0.00 C ATOM 1607 CG ASN A 106 30.639 -17.932 8.500 1.00 0.00 C ATOM 1608 OD1 ASN A 106 31.748 -17.597 8.904 1.00 0.00 O ATOM 1609 ND2 ASN A 106 30.092 -19.078 8.828 1.00 0.00 N ATOM 0 H ASN A 106 31.859 -16.074 6.295 1.00 0.00 H new ATOM 0 HA ASN A 106 30.032 -18.253 5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 106 30.040 -15.979 7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 106 28.765 -17.178 7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 106 30.591 -19.725 9.439 1.00 0.00 H new ATOM 0 HD22 ASN A 106 29.168 -19.322 8.472 1.00 0.00 H new ATOM 1616 N ALA A 107 29.317 -15.283 4.919 1.00 0.00 N ATOM 1617 CA ALA A 107 28.386 -14.514 4.128 1.00 0.00 C ATOM 1618 C ALA A 107 28.120 -15.198 2.787 1.00 0.00 C ATOM 1619 O ALA A 107 26.974 -15.363 2.392 1.00 0.00 O ATOM 1620 CB ALA A 107 28.889 -13.101 3.928 1.00 0.00 C ATOM 0 H ALA A 107 30.215 -14.826 5.077 1.00 0.00 H new ATOM 0 HA ALA A 107 27.442 -14.460 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.171 -12.541 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.009 -12.617 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.849 -13.126 3.413 1.00 0.00 H new ATOM 1626 N LYS A 108 29.180 -15.638 2.119 1.00 0.00 N ATOM 1627 CA LYS A 108 29.049 -16.326 0.826 1.00 0.00 C ATOM 1628 C LYS A 108 28.181 -17.623 0.949 1.00 0.00 C ATOM 1629 O LYS A 108 27.595 -18.086 -0.026 1.00 0.00 O ATOM 1630 CB LYS A 108 30.444 -16.631 0.227 1.00 0.00 C ATOM 1631 CG LYS A 108 31.191 -17.812 0.826 1.00 0.00 C ATOM 1632 CD LYS A 108 32.519 -18.020 0.109 1.00 0.00 C ATOM 1633 CE LYS A 108 33.314 -19.187 0.680 1.00 0.00 C ATOM 1634 NZ LYS A 108 32.608 -20.486 0.543 1.00 0.00 N ATOM 0 H LYS A 108 30.141 -15.534 2.445 1.00 0.00 H new ATOM 0 HA LYS A 108 28.527 -15.658 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 108 30.326 -16.808 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 108 31.065 -15.742 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 108 31.367 -17.638 1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 108 30.583 -18.713 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 108 32.333 -18.196 -0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 108 33.114 -17.109 0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 108 34.277 -19.247 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 108 33.519 -19.000 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 33.246 -21.259 0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 31.768 -20.491 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 32.315 -20.619 -0.446 1.00 0.00 H new ATOM 1647 N ARG A 109 28.109 -18.166 2.168 1.00 0.00 N ATOM 1648 CA ARG A 109 27.350 -19.280 2.521 1.00 0.00 C ATOM 1649 C ARG A 109 25.915 -18.848 2.786 1.00 0.00 C ATOM 1650 O ARG A 109 24.953 -19.409 2.243 1.00 0.00 O ATOM 1651 CB ARG A 109 27.918 -19.738 3.831 1.00 0.00 C ATOM 1652 CG ARG A 109 29.250 -20.423 3.817 1.00 0.00 C ATOM 1653 CD ARG A 109 29.620 -20.948 5.203 1.00 0.00 C ATOM 1654 NE ARG A 109 28.648 -21.909 5.729 1.00 0.00 N ATOM 1655 CZ ARG A 109 28.844 -22.677 6.812 1.00 0.00 C ATOM 1656 NH1 ARG A 109 29.990 -22.611 7.494 1.00 0.00 N ATOM 1657 NH2 ARG A 109 27.895 -23.502 7.205 1.00 0.00 N ATOM 0 H ARG A 109 28.629 -17.784 2.958 1.00 0.00 H new ATOM 0 HA ARG A 109 27.369 -20.042 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 109 27.996 -18.869 4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 109 27.198 -20.416 4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 109 29.229 -21.250 3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 109 30.015 -19.727 3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 109 30.601 -21.420 5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 109 29.703 -20.109 5.893 1.00 0.00 H new ATOM 0 HE ARG A 109 27.759 -22.001 5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 109 30.726 -21.973 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 109 30.129 -23.199 8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 109 27.018 -23.554 6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 109 28.037 -24.089 8.027 1.00 0.00 H new ATOM 1670 N ALA A 110 25.813 -17.831 3.633 1.00 0.00 N ATOM 1671 CA ALA A 110 24.582 -17.262 4.129 1.00 0.00 C ATOM 1672 C ALA A 110 23.700 -16.874 3.018 1.00 0.00 C ATOM 1673 O ALA A 110 22.579 -17.299 2.990 1.00 0.00 O ATOM 1674 CB ALA A 110 24.879 -16.069 5.007 1.00 0.00 C ATOM 0 H ALA A 110 26.637 -17.361 4.008 1.00 0.00 H new ATOM 0 HA ALA A 110 24.067 -18.018 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 110 23.944 -15.647 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.494 -16.382 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.414 -15.316 4.429 1.00 0.00 H new ATOM 1680 N ALA A 111 24.269 -16.158 2.046 1.00 0.00 N ATOM 1681 CA ALA A 111 23.546 -15.670 0.866 1.00 0.00 C ATOM 1682 C ALA A 111 22.735 -16.776 0.248 1.00 0.00 C ATOM 1683 O ALA A 111 21.535 -16.643 -0.015 1.00 0.00 O ATOM 1684 CB ALA A 111 24.542 -15.146 -0.170 1.00 0.00 C ATOM 0 H ALA A 111 25.255 -15.897 2.055 1.00 0.00 H new ATOM 0 HA ALA A 111 22.878 -14.868 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 111 24.001 -14.785 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 111 25.120 -14.329 0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 111 25.215 -15.950 -0.467 1.00 0.00 H new ATOM 1690 N GLU A 112 23.362 -17.892 0.122 1.00 0.00 N ATOM 1691 CA GLU A 112 22.786 -19.000 -0.551 1.00 0.00 C ATOM 1692 C GLU A 112 21.679 -19.668 0.249 1.00 0.00 C ATOM 1693 O GLU A 112 20.714 -20.185 -0.315 1.00 0.00 O ATOM 1694 CB GLU A 112 23.860 -19.970 -0.974 1.00 0.00 C ATOM 1695 CG GLU A 112 24.788 -19.446 -2.046 1.00 0.00 C ATOM 1696 CD GLU A 112 24.085 -19.207 -3.345 1.00 0.00 C ATOM 1697 OE1 GLU A 112 23.913 -20.169 -4.129 1.00 0.00 O ATOM 1698 OE2 GLU A 112 23.700 -18.060 -3.626 1.00 0.00 O ATOM 0 H GLU A 112 24.299 -18.062 0.487 1.00 0.00 H new ATOM 0 HA GLU A 112 22.299 -18.623 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.451 -20.242 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 112 23.386 -20.883 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.242 -18.515 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.598 -20.158 -2.201 1.00 0.00 H new ATOM 1705 N SER A 113 21.785 -19.613 1.528 1.00 0.00 N ATOM 1706 CA SER A 113 20.773 -20.171 2.385 1.00 0.00 C ATOM 1707 C SER A 113 19.766 -19.075 2.723 1.00 0.00 C ATOM 1708 O SER A 113 18.826 -19.277 3.484 1.00 0.00 O ATOM 1709 CB SER A 113 21.441 -20.741 3.647 1.00 0.00 C ATOM 1710 OG SER A 113 20.501 -21.268 4.578 1.00 0.00 O ATOM 0 H SER A 113 22.569 -19.184 2.020 1.00 0.00 H new ATOM 0 HA SER A 113 20.243 -20.985 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.140 -21.526 3.359 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.024 -19.957 4.130 1.00 0.00 H new ATOM 0 HG SER A 113 19.626 -20.851 4.431 1.00 0.00 H new ATOM 1716 N GLU A 114 19.952 -17.941 2.109 1.00 0.00 N ATOM 1717 CA GLU A 114 19.179 -16.794 2.360 1.00 0.00 C ATOM 1718 C GLU A 114 18.426 -16.332 1.192 1.00 0.00 C ATOM 1719 O GLU A 114 17.824 -15.266 1.238 1.00 0.00 O ATOM 1720 CB GLU A 114 20.050 -15.714 2.871 1.00 0.00 C ATOM 1721 CG GLU A 114 19.972 -15.671 4.358 1.00 0.00 C ATOM 1722 CD GLU A 114 20.850 -14.692 5.091 1.00 0.00 C ATOM 1723 OE1 GLU A 114 22.006 -15.017 5.367 1.00 0.00 O ATOM 1724 OE2 GLU A 114 20.356 -13.633 5.492 1.00 0.00 O ATOM 0 H GLU A 114 20.673 -17.802 1.401 1.00 0.00 H new ATOM 0 HA GLU A 114 18.436 -17.067 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 114 21.080 -15.883 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.742 -14.756 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.938 -15.459 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.202 -16.669 4.732 1.00 0.00 H new ATOM 1731 N LYS A 115 18.455 -17.114 0.130 1.00 0.00 N ATOM 1732 CA LYS A 115 17.684 -16.858 -1.035 1.00 0.00 C ATOM 1733 C LYS A 115 18.120 -15.614 -1.823 1.00 0.00 C ATOM 1734 O LYS A 115 17.474 -15.235 -2.803 1.00 0.00 O ATOM 1735 CB LYS A 115 16.245 -16.774 -0.611 1.00 0.00 C ATOM 1736 CG LYS A 115 15.585 -18.112 -0.286 1.00 0.00 C ATOM 1737 CD LYS A 115 15.552 -19.068 -1.479 1.00 0.00 C ATOM 1738 CE LYS A 115 14.752 -18.512 -2.649 1.00 0.00 C ATOM 1739 NZ LYS A 115 14.751 -19.438 -3.802 1.00 0.00 N ATOM 0 H LYS A 115 19.030 -17.954 0.068 1.00 0.00 H new ATOM 0 HA LYS A 115 17.840 -17.676 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.178 -16.131 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.676 -16.290 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.121 -18.585 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.566 -17.934 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.572 -19.273 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.120 -20.019 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.726 -18.325 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.171 -17.553 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.196 -19.025 -4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.728 -19.597 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.328 -20.345 -3.519 1.00 0.00 H new ATOM 1752 N VAL A 116 19.199 -15.005 -1.416 1.00 0.00 N ATOM 1753 CA VAL A 116 19.701 -13.818 -2.087 1.00 0.00 C ATOM 1754 C VAL A 116 21.106 -14.043 -2.559 1.00 0.00 C ATOM 1755 O VAL A 116 21.853 -14.760 -1.928 1.00 0.00 O ATOM 1756 CB VAL A 116 19.635 -12.567 -1.178 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.202 -12.072 -1.066 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.175 -12.890 0.211 1.00 0.00 C ATOM 0 H VAL A 116 19.758 -15.307 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 116 19.058 -13.632 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 116 20.249 -11.785 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.170 -11.192 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.828 -11.812 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.579 -12.857 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.122 -12.000 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.578 -13.685 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.212 -13.216 0.131 1.00 0.00 H new ATOM 1768 N ASP A 117 21.472 -13.492 -3.668 1.00 0.00 N ATOM 1769 CA ASP A 117 22.815 -13.689 -4.124 1.00 0.00 C ATOM 1770 C ASP A 117 23.549 -12.383 -4.117 1.00 0.00 C ATOM 1771 O ASP A 117 22.965 -11.320 -4.348 1.00 0.00 O ATOM 1772 CB ASP A 117 22.899 -14.398 -5.490 1.00 0.00 C ATOM 1773 CG ASP A 117 22.614 -13.533 -6.693 1.00 0.00 C ATOM 1774 OD1 ASP A 117 21.449 -13.170 -6.924 1.00 0.00 O ATOM 1775 OD2 ASP A 117 23.561 -13.268 -7.467 1.00 0.00 O ATOM 0 H ASP A 117 20.880 -12.915 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 117 23.303 -14.370 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 117 23.897 -14.822 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 117 22.197 -15.232 -5.490 1.00 0.00 H new ATOM 1780 N ILE A 118 24.798 -12.450 -3.783 1.00 0.00 N ATOM 1781 CA ILE A 118 25.622 -11.282 -3.656 1.00 0.00 C ATOM 1782 C ILE A 118 26.446 -11.055 -4.906 1.00 0.00 C ATOM 1783 O ILE A 118 27.077 -11.982 -5.430 1.00 0.00 O ATOM 1784 CB ILE A 118 26.498 -11.376 -2.395 1.00 0.00 C ATOM 1785 CG1 ILE A 118 27.253 -12.724 -2.365 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.623 -11.213 -1.163 1.00 0.00 C ATOM 1787 CD1 ILE A 118 28.034 -12.973 -1.106 1.00 0.00 C ATOM 0 H ILE A 118 25.284 -13.325 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 118 24.975 -10.412 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 118 27.241 -10.579 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.533 -13.532 -2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.935 -12.763 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.240 -11.279 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.130 -10.241 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.871 -12.001 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.531 -13.941 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.781 -12.189 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 118 27.357 -12.970 -0.251 1.00 0.00 H new ATOM 1799 N ARG A 119 26.419 -9.844 -5.396 1.00 0.00 N ATOM 1800 CA ARG A 119 27.074 -9.513 -6.646 1.00 0.00 C ATOM 1801 C ARG A 119 28.427 -8.884 -6.386 1.00 0.00 C ATOM 1802 O ARG A 119 28.527 -7.896 -5.658 1.00 0.00 O ATOM 1803 CB ARG A 119 26.181 -8.580 -7.480 1.00 0.00 C ATOM 1804 CG ARG A 119 26.692 -8.306 -8.890 1.00 0.00 C ATOM 1805 CD ARG A 119 26.788 -9.596 -9.688 1.00 0.00 C ATOM 1806 NE ARG A 119 27.252 -9.381 -11.058 1.00 0.00 N ATOM 1807 CZ ARG A 119 27.968 -10.272 -11.762 1.00 0.00 C ATOM 1808 NH1 ARG A 119 28.386 -11.398 -11.187 1.00 0.00 N ATOM 1809 NH2 ARG A 119 28.280 -10.030 -13.034 1.00 0.00 N ATOM 0 H ARG A 119 25.947 -9.059 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 119 27.235 -10.430 -7.214 1.00 0.00 H new ATOM 0 HB2 ARG A 119 25.185 -9.017 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 119 26.078 -7.631 -6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 119 26.023 -7.609 -9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 119 27.671 -7.829 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 119 27.468 -10.281 -9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 119 25.810 -10.077 -9.712 1.00 0.00 H new ATOM 0 HE ARG A 119 27.016 -8.496 -11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 119 28.162 -11.585 -10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 119 28.930 -12.073 -11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 119 27.975 -9.164 -13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 119 28.824 -10.711 -13.564 1.00 0.00 H new ATOM 1822 N LEU A 120 29.460 -9.458 -6.966 1.00 0.00 N ATOM 1823 CA LEU A 120 30.806 -8.970 -6.778 1.00 0.00 C ATOM 1824 C LEU A 120 31.485 -8.617 -8.071 1.00 0.00 C ATOM 1825 O LEU A 120 30.945 -8.812 -9.167 1.00 0.00 O ATOM 1826 CB LEU A 120 31.706 -9.961 -5.995 1.00 0.00 C ATOM 1827 CG LEU A 120 31.567 -10.006 -4.470 1.00 0.00 C ATOM 1828 CD1 LEU A 120 31.658 -8.612 -3.896 1.00 0.00 C ATOM 1829 CD2 LEU A 120 30.297 -10.716 -4.023 1.00 0.00 C ATOM 0 H LEU A 120 29.389 -10.271 -7.577 1.00 0.00 H new ATOM 0 HA LEU A 120 30.684 -8.064 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 120 31.512 -10.963 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 120 32.744 -9.726 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 120 32.396 -10.596 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 120 31.558 -8.658 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 120 32.623 -8.175 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 120 30.859 -7.996 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 120 30.247 -10.720 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 120 29.428 -10.194 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 120 30.306 -11.742 -4.390 1.00 0.00 H new