USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.135 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 89:sc= 1.22 USER MOD Single : A 21 THR OG1 : rot 171:sc= 0.846 USER MOD Single : A 24 THR OG1 : rot -38:sc= 1.01 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 16:sc= -0.164 USER MOD Single : A 46 MET CE :methyl -138:sc= -2.25 (180deg=-5.56!) USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.604 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 56 TYR OH : rot -7:sc= -0.568! USER MOD Single : A 59 SER OG : rot 180:sc= -0.037 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.999 USER MOD Single : A 79 ASN : amide:sc= 0.555 K(o=0.56,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.243 -1.852 7.504 1.00 4.11 N ATOM 2 CA MET A 1 20.023 -2.476 6.994 1.00 3.57 C ATOM 3 C MET A 1 19.477 -1.686 5.837 1.00 2.82 C ATOM 4 O MET A 1 20.036 -0.647 5.462 1.00 3.20 O ATOM 5 CB MET A 1 18.933 -2.623 8.074 1.00 4.13 C ATOM 6 CG MET A 1 19.175 -3.715 9.095 1.00 4.73 C ATOM 7 SD MET A 1 17.775 -3.913 10.227 1.00 5.41 S ATOM 8 CE MET A 1 18.325 -5.331 11.173 1.00 6.05 C ATOM 0 H1 MET A 1 22.023 -2.539 7.474 1.00 4.11 H new ATOM 0 H2 MET A 1 21.484 -1.029 6.916 1.00 4.11 H new ATOM 0 H3 MET A 1 21.091 -1.544 8.486 1.00 4.11 H new ATOM 0 HA MET A 1 20.299 -3.478 6.666 1.00 3.57 H new ATOM 0 HB2 MET A 1 18.835 -1.673 8.599 1.00 4.13 H new ATOM 0 HB3 MET A 1 17.980 -2.814 7.581 1.00 4.13 H new ATOM 0 HG2 MET A 1 19.360 -4.658 8.580 1.00 4.73 H new ATOM 0 HG3 MET A 1 20.073 -3.483 9.667 1.00 4.73 H new ATOM 0 HE1 MET A 1 17.572 -5.585 11.919 1.00 6.05 H new ATOM 0 HE2 MET A 1 18.474 -6.179 10.504 1.00 6.05 H new ATOM 0 HE3 MET A 1 19.264 -5.093 11.672 1.00 6.05 H new ATOM 20 N ALA A 2 18.404 -2.170 5.275 1.00 2.27 N ATOM 21 CA ALA A 2 17.702 -1.499 4.214 1.00 2.03 C ATOM 22 C ALA A 2 16.227 -1.674 4.464 1.00 1.61 C ATOM 23 O ALA A 2 15.485 -0.703 4.583 1.00 2.08 O ATOM 24 CB ALA A 2 18.087 -2.092 2.865 1.00 2.71 C ATOM 0 H ALA A 2 17.984 -3.059 5.546 1.00 2.27 H new ATOM 0 HA ALA A 2 17.962 -0.441 4.194 1.00 2.03 H new ATOM 0 HB1 ALA A 2 17.547 -1.574 2.072 1.00 2.71 H new ATOM 0 HB2 ALA A 2 19.160 -1.976 2.709 1.00 2.71 H new ATOM 0 HB3 ALA A 2 17.830 -3.151 2.846 1.00 2.71 H new ATOM 30 N THR A 3 15.850 -2.931 4.618 1.00 1.31 N ATOM 31 CA THR A 3 14.501 -3.354 4.881 1.00 1.19 C ATOM 32 C THR A 3 13.602 -3.043 3.688 1.00 0.95 C ATOM 33 O THR A 3 12.861 -2.060 3.678 1.00 1.12 O ATOM 34 CB THR A 3 13.949 -2.726 6.182 1.00 1.56 C ATOM 35 OG1 THR A 3 14.954 -2.830 7.221 1.00 2.44 O ATOM 36 CG2 THR A 3 12.694 -3.461 6.647 1.00 2.02 C ATOM 0 H THR A 3 16.507 -3.709 4.560 1.00 1.31 H new ATOM 0 HA THR A 3 14.511 -4.434 5.029 1.00 1.19 H new ATOM 0 HB THR A 3 13.701 -1.683 5.986 1.00 1.56 H new ATOM 0 HG1 THR A 3 14.611 -2.432 8.048 1.00 2.44 H new ATOM 0 HG21 THR A 3 12.323 -3.003 7.564 1.00 2.02 H new ATOM 0 HG22 THR A 3 11.928 -3.398 5.874 1.00 2.02 H new ATOM 0 HG23 THR A 3 12.934 -4.507 6.836 1.00 2.02 H new ATOM 44 N LEU A 4 13.782 -3.813 2.630 1.00 0.80 N ATOM 45 CA LEU A 4 12.939 -3.693 1.467 1.00 0.65 C ATOM 46 C LEU A 4 11.570 -4.213 1.886 1.00 0.68 C ATOM 47 O LEU A 4 11.496 -5.234 2.586 1.00 0.86 O ATOM 48 CB LEU A 4 13.495 -4.549 0.318 1.00 0.70 C ATOM 49 CG LEU A 4 13.019 -4.180 -1.076 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.644 -2.857 -1.507 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.337 -5.283 -2.069 1.00 1.01 C ATOM 0 H LEU A 4 14.507 -4.527 2.558 1.00 0.80 H new ATOM 0 HA LEU A 4 12.889 -2.662 1.116 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.583 -4.486 0.338 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.233 -5.590 0.507 1.00 0.70 H new ATOM 0 HG LEU A 4 11.936 -4.061 -1.054 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.297 -2.600 -2.508 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.352 -2.072 -0.809 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.730 -2.952 -1.512 1.00 0.70 H new ATOM 0 HD21 LEU A 4 12.986 -4.993 -3.059 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.414 -5.446 -2.099 1.00 1.01 H new ATOM 0 HD23 LEU A 4 12.840 -6.203 -1.762 1.00 1.01 H new ATOM 63 N LEU A 5 10.515 -3.545 1.491 1.00 0.60 N ATOM 64 CA LEU A 5 9.197 -3.915 1.941 1.00 0.64 C ATOM 65 C LEU A 5 8.798 -5.221 1.243 1.00 0.59 C ATOM 66 O LEU A 5 8.818 -5.317 -0.003 1.00 0.61 O ATOM 67 CB LEU A 5 8.194 -2.764 1.661 1.00 0.69 C ATOM 68 CG LEU A 5 6.986 -2.617 2.623 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.160 -1.411 2.262 1.00 1.61 C ATOM 70 CD2 LEU A 5 6.108 -3.835 2.638 1.00 1.54 C ATOM 0 H LEU A 5 10.543 -2.744 0.860 1.00 0.60 H new ATOM 0 HA LEU A 5 9.188 -4.082 3.018 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.748 -1.825 1.671 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.806 -2.894 0.651 1.00 0.69 H new ATOM 0 HG LEU A 5 7.403 -2.494 3.622 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.318 -1.327 2.950 1.00 1.61 H new ATOM 0 HD12 LEU A 5 6.776 -0.514 2.331 1.00 1.61 H new ATOM 0 HD13 LEU A 5 5.787 -1.517 1.243 1.00 1.61 H new ATOM 0 HD21 LEU A 5 5.279 -3.677 3.328 1.00 1.54 H new ATOM 0 HD22 LEU A 5 5.718 -4.015 1.636 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.689 -4.699 2.961 1.00 1.54 H new ATOM 82 N THR A 6 8.509 -6.223 2.044 1.00 0.61 N ATOM 83 CA THR A 6 8.177 -7.530 1.567 1.00 0.63 C ATOM 84 C THR A 6 6.670 -7.721 1.381 1.00 0.57 C ATOM 85 O THR A 6 5.890 -6.778 1.507 1.00 0.59 O ATOM 86 CB THR A 6 8.746 -8.615 2.505 1.00 0.79 C ATOM 87 OG1 THR A 6 8.341 -8.341 3.857 1.00 0.95 O ATOM 88 CG2 THR A 6 10.269 -8.661 2.425 1.00 0.97 C ATOM 0 H THR A 6 8.500 -6.142 3.061 1.00 0.61 H new ATOM 0 HA THR A 6 8.637 -7.633 0.584 1.00 0.63 H new ATOM 0 HB THR A 6 8.356 -9.583 2.191 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.701 -9.031 4.453 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.645 -9.434 3.095 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.573 -8.888 1.403 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.678 -7.695 2.719 1.00 0.97 H new ATOM 96 N THR A 7 6.267 -8.930 1.110 1.00 0.60 N ATOM 97 CA THR A 7 4.894 -9.240 0.884 1.00 0.59 C ATOM 98 C THR A 7 4.162 -9.338 2.242 1.00 0.53 C ATOM 99 O THR A 7 3.075 -8.778 2.426 1.00 0.56 O ATOM 100 CB THR A 7 4.815 -10.585 0.136 1.00 0.69 C ATOM 101 OG1 THR A 7 5.667 -10.519 -1.035 1.00 0.90 O ATOM 102 CG2 THR A 7 3.387 -10.875 -0.297 1.00 0.81 C ATOM 0 H THR A 7 6.893 -9.732 1.040 1.00 0.60 H new ATOM 0 HA THR A 7 4.419 -8.462 0.287 1.00 0.59 H new ATOM 0 HB THR A 7 5.144 -11.383 0.802 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.626 -11.371 -1.518 1.00 0.90 H new ATOM 0 HG21 THR A 7 3.353 -11.829 -0.823 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.743 -10.922 0.581 1.00 0.81 H new ATOM 0 HG23 THR A 7 3.040 -10.082 -0.960 1.00 0.81 H new ATOM 110 N ASP A 8 4.786 -10.033 3.189 1.00 0.54 N ATOM 111 CA ASP A 8 4.213 -10.244 4.530 1.00 0.54 C ATOM 112 C ASP A 8 3.976 -8.941 5.253 1.00 0.52 C ATOM 113 O ASP A 8 2.926 -8.748 5.874 1.00 0.54 O ATOM 114 CB ASP A 8 5.083 -11.154 5.406 1.00 0.63 C ATOM 115 CG ASP A 8 5.121 -12.590 4.950 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.157 -13.335 5.219 1.00 1.98 O ATOM 117 OD2 ASP A 8 6.126 -13.012 4.353 1.00 2.26 O ATOM 0 H ASP A 8 5.699 -10.467 3.057 1.00 0.54 H new ATOM 0 HA ASP A 8 3.256 -10.739 4.362 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.100 -10.762 5.422 1.00 0.63 H new ATOM 0 HB3 ASP A 8 4.711 -11.118 6.430 1.00 0.63 H new ATOM 122 N ASP A 9 4.935 -8.036 5.152 1.00 0.57 N ATOM 123 CA ASP A 9 4.832 -6.741 5.821 1.00 0.64 C ATOM 124 C ASP A 9 3.713 -5.917 5.206 1.00 0.59 C ATOM 125 O ASP A 9 2.945 -5.242 5.919 1.00 0.63 O ATOM 126 CB ASP A 9 6.141 -5.967 5.746 1.00 0.79 C ATOM 127 CG ASP A 9 6.076 -4.701 6.561 1.00 1.60 C ATOM 128 OD1 ASP A 9 6.271 -4.731 7.787 1.00 1.70 O ATOM 129 OD2 ASP A 9 5.874 -3.626 5.975 1.00 2.47 O ATOM 0 H ASP A 9 5.793 -8.169 4.616 1.00 0.57 H new ATOM 0 HA ASP A 9 4.609 -6.930 6.871 1.00 0.64 H new ATOM 0 HB2 ASP A 9 6.957 -6.593 6.107 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.362 -5.722 4.707 1.00 0.79 H new ATOM 134 N LEU A 10 3.598 -6.010 3.887 1.00 0.54 N ATOM 135 CA LEU A 10 2.570 -5.303 3.147 1.00 0.54 C ATOM 136 C LEU A 10 1.190 -5.819 3.544 1.00 0.53 C ATOM 137 O LEU A 10 0.252 -5.042 3.692 1.00 0.59 O ATOM 138 CB LEU A 10 2.776 -5.448 1.634 1.00 0.55 C ATOM 139 CG LEU A 10 1.810 -4.648 0.752 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.019 -3.147 0.938 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.962 -5.038 -0.705 1.00 0.65 C ATOM 0 H LEU A 10 4.215 -6.577 3.305 1.00 0.54 H new ATOM 0 HA LEU A 10 2.641 -4.244 3.396 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.795 -5.144 1.394 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.688 -6.503 1.373 1.00 0.55 H new ATOM 0 HG LEU A 10 0.793 -4.887 1.062 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.322 -2.601 0.302 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.843 -2.882 1.980 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.041 -2.885 0.665 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.267 -4.458 -1.311 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.983 -4.837 -1.031 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.746 -6.100 -0.822 1.00 0.65 H new ATOM 153 N ARG A 11 1.090 -7.131 3.748 1.00 0.49 N ATOM 154 CA ARG A 11 -0.158 -7.764 4.171 1.00 0.50 C ATOM 155 C ARG A 11 -0.612 -7.164 5.494 1.00 0.54 C ATOM 156 O ARG A 11 -1.755 -6.761 5.635 1.00 0.63 O ATOM 157 CB ARG A 11 0.023 -9.279 4.324 1.00 0.51 C ATOM 158 CG ARG A 11 -1.267 -10.035 4.634 1.00 0.61 C ATOM 159 CD ARG A 11 -1.012 -11.519 4.834 1.00 0.72 C ATOM 160 NE ARG A 11 -0.220 -11.781 6.048 1.00 0.96 N ATOM 161 CZ ARG A 11 0.987 -12.356 6.076 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.589 -12.716 4.945 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.584 -12.570 7.243 1.00 1.80 N ATOM 0 H ARG A 11 1.866 -7.782 3.626 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.915 -7.583 3.407 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.452 -9.677 3.405 1.00 0.51 H new ATOM 0 HB3 ARG A 11 0.743 -9.469 5.120 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.726 -9.620 5.531 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.977 -9.894 3.819 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.964 -12.045 4.901 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.488 -11.918 3.965 1.00 0.72 H new ATOM 0 HE ARG A 11 -0.626 -11.501 6.941 1.00 0.96 H new ATOM 0 HH11 ARG A 11 1.130 -12.554 4.049 1.00 1.65 H new ATOM 0 HH12 ARG A 11 2.510 -13.154 4.974 1.00 1.65 H new ATOM 0 HH21 ARG A 11 1.122 -12.296 8.110 1.00 1.80 H new ATOM 0 HH22 ARG A 11 2.505 -13.008 7.272 1.00 1.80 H new ATOM 177 N ARG A 12 0.327 -7.062 6.435 1.00 0.54 N ATOM 178 CA ARG A 12 0.064 -6.487 7.757 1.00 0.60 C ATOM 179 C ARG A 12 -0.471 -5.065 7.629 1.00 0.58 C ATOM 180 O ARG A 12 -1.476 -4.709 8.246 1.00 0.66 O ATOM 181 CB ARG A 12 1.342 -6.526 8.620 1.00 0.68 C ATOM 182 CG ARG A 12 1.807 -7.938 8.925 1.00 0.80 C ATOM 183 CD ARG A 12 3.114 -7.972 9.711 1.00 0.96 C ATOM 184 NE ARG A 12 3.493 -9.358 10.016 1.00 1.50 N ATOM 185 CZ ARG A 12 4.722 -9.823 10.282 1.00 2.02 C ATOM 186 NH1 ARG A 12 5.771 -9.006 10.335 1.00 2.23 N ATOM 187 NH2 ARG A 12 4.886 -11.136 10.489 1.00 2.93 N ATOM 0 H ARG A 12 1.289 -7.374 6.304 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.700 -7.086 8.253 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.139 -5.990 8.104 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.158 -5.999 9.556 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.034 -8.456 9.492 1.00 0.80 H new ATOM 0 HG3 ARG A 12 1.936 -8.483 7.990 1.00 0.80 H new ATOM 0 HD2 ARG A 12 3.904 -7.491 9.135 1.00 0.96 H new ATOM 0 HD3 ARG A 12 3.004 -7.406 10.636 1.00 0.96 H new ATOM 0 HE ARG A 12 2.737 -10.043 10.027 1.00 1.50 H new ATOM 0 HH11 ARG A 12 5.648 -8.007 10.172 1.00 2.23 H new ATOM 0 HH12 ARG A 12 6.698 -9.379 10.539 1.00 2.23 H new ATOM 0 HH21 ARG A 12 4.083 -11.764 10.443 1.00 2.93 H new ATOM 0 HH22 ARG A 12 5.814 -11.508 10.693 1.00 2.93 H new ATOM 201 N ALA A 13 0.155 -4.292 6.755 1.00 0.54 N ATOM 202 CA ALA A 13 -0.249 -2.919 6.529 1.00 0.58 C ATOM 203 C ALA A 13 -1.643 -2.842 5.899 1.00 0.56 C ATOM 204 O ALA A 13 -2.451 -2.008 6.291 1.00 0.65 O ATOM 205 CB ALA A 13 0.781 -2.179 5.685 1.00 0.66 C ATOM 0 H ALA A 13 0.948 -4.597 6.190 1.00 0.54 H new ATOM 0 HA ALA A 13 -0.303 -2.426 7.499 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.454 -1.151 5.530 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.742 -2.180 6.200 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.886 -2.676 4.720 1.00 0.66 H new ATOM 211 N LEU A 14 -1.920 -3.726 4.952 1.00 0.53 N ATOM 212 CA LEU A 14 -3.208 -3.794 4.299 1.00 0.59 C ATOM 213 C LEU A 14 -4.333 -4.248 5.228 1.00 0.75 C ATOM 214 O LEU A 14 -5.508 -4.066 4.920 1.00 1.02 O ATOM 215 CB LEU A 14 -3.140 -4.628 3.029 1.00 0.54 C ATOM 216 CG LEU A 14 -2.943 -3.850 1.721 1.00 0.62 C ATOM 217 CD1 LEU A 14 -1.682 -3.002 1.737 1.00 0.62 C ATOM 218 CD2 LEU A 14 -2.941 -4.787 0.535 1.00 1.06 C ATOM 0 H LEU A 14 -1.250 -4.418 4.617 1.00 0.53 H new ATOM 0 HA LEU A 14 -3.463 -2.774 4.012 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -2.322 -5.342 3.130 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -4.060 -5.207 2.949 1.00 0.54 H new ATOM 0 HG LEU A 14 -3.787 -3.167 1.627 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -1.588 -2.472 0.789 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -1.739 -2.281 2.552 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -0.813 -3.644 1.881 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -2.800 -4.214 -0.381 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.129 -5.507 0.641 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.892 -5.317 0.489 1.00 1.06 H new ATOM 230 N VAL A 15 -3.987 -4.875 6.325 1.00 0.71 N ATOM 231 CA VAL A 15 -4.980 -5.197 7.332 1.00 0.83 C ATOM 232 C VAL A 15 -5.235 -3.927 8.156 1.00 0.85 C ATOM 233 O VAL A 15 -6.348 -3.413 8.186 1.00 0.98 O ATOM 234 CB VAL A 15 -4.510 -6.331 8.285 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.611 -6.669 9.290 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.134 -7.580 7.512 1.00 0.91 C ATOM 0 H VAL A 15 -3.037 -5.172 6.547 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.882 -5.548 6.831 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.628 -5.972 8.815 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -5.268 -7.465 9.951 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.849 -5.784 9.880 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.502 -6.999 8.756 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.810 -8.354 8.207 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.999 -7.935 6.951 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.323 -7.350 6.821 1.00 0.91 H new ATOM 246 N GLU A 16 -4.174 -3.430 8.798 1.00 0.81 N ATOM 247 CA GLU A 16 -4.208 -2.256 9.680 1.00 0.87 C ATOM 248 C GLU A 16 -4.826 -1.005 9.039 1.00 0.89 C ATOM 249 O GLU A 16 -5.447 -0.198 9.728 1.00 1.05 O ATOM 250 CB GLU A 16 -2.792 -1.945 10.162 1.00 0.91 C ATOM 251 CG GLU A 16 -2.167 -3.082 10.946 1.00 1.00 C ATOM 252 CD GLU A 16 -0.742 -2.798 11.395 1.00 1.30 C ATOM 253 OE1 GLU A 16 -0.528 -1.779 12.079 1.00 1.90 O ATOM 254 OE2 GLU A 16 0.192 -3.556 11.016 1.00 1.91 O ATOM 0 H GLU A 16 -3.244 -3.842 8.718 1.00 0.81 H new ATOM 0 HA GLU A 16 -4.859 -2.516 10.515 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -2.164 -1.717 9.301 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -2.815 -1.051 10.786 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -2.781 -3.289 11.822 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -2.173 -3.983 10.332 1.00 1.00 H new ATOM 261 N SER A 17 -4.680 -0.850 7.745 1.00 0.82 N ATOM 262 CA SER A 17 -5.181 0.338 7.077 1.00 0.93 C ATOM 263 C SER A 17 -6.677 0.216 6.698 1.00 1.03 C ATOM 264 O SER A 17 -7.288 1.186 6.220 1.00 1.22 O ATOM 265 CB SER A 17 -4.318 0.628 5.843 1.00 0.96 C ATOM 266 OG SER A 17 -2.938 0.671 6.208 1.00 1.58 O ATOM 0 H SER A 17 -4.222 -1.524 7.132 1.00 0.82 H new ATOM 0 HA SER A 17 -5.112 1.174 7.773 1.00 0.93 H new ATOM 0 HB2 SER A 17 -4.479 -0.142 5.088 1.00 0.96 H new ATOM 0 HB3 SER A 17 -4.614 1.578 5.398 1.00 0.96 H new ATOM 0 HG SER A 17 -2.555 -0.229 6.146 1.00 1.58 H new ATOM 272 N ALA A 18 -7.273 -0.938 6.948 1.00 1.04 N ATOM 273 CA ALA A 18 -8.652 -1.174 6.582 1.00 1.24 C ATOM 274 C ALA A 18 -9.523 -1.409 7.812 1.00 1.43 C ATOM 275 O ALA A 18 -9.078 -2.011 8.788 1.00 1.88 O ATOM 276 CB ALA A 18 -8.736 -2.354 5.642 1.00 1.25 C ATOM 0 H ALA A 18 -6.817 -1.727 7.406 1.00 1.04 H new ATOM 0 HA ALA A 18 -9.029 -0.284 6.078 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -9.777 -2.528 5.369 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -8.155 -2.146 4.744 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -8.337 -3.241 6.135 1.00 1.25 H new ATOM 282 N GLY A 19 -10.755 -0.941 7.759 1.00 1.86 N ATOM 283 CA GLY A 19 -11.659 -1.120 8.879 1.00 2.13 C ATOM 284 C GLY A 19 -13.094 -1.237 8.434 1.00 2.09 C ATOM 285 O GLY A 19 -13.974 -0.600 9.002 1.00 2.45 O ATOM 0 H GLY A 19 -11.150 -0.440 6.963 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -11.377 -2.016 9.433 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -11.559 -0.278 9.563 1.00 2.13 H new ATOM 289 N GLU A 20 -13.319 -2.049 7.406 1.00 2.13 N ATOM 290 CA GLU A 20 -14.656 -2.280 6.833 1.00 2.46 C ATOM 291 C GLU A 20 -14.604 -3.381 5.776 1.00 2.48 C ATOM 292 O GLU A 20 -15.419 -3.424 4.858 1.00 3.18 O ATOM 293 CB GLU A 20 -15.238 -0.980 6.237 1.00 3.09 C ATOM 294 CG GLU A 20 -14.379 -0.285 5.195 1.00 3.54 C ATOM 295 CD GLU A 20 -15.053 0.954 4.679 1.00 4.23 C ATOM 296 OE1 GLU A 20 -14.938 2.024 5.313 1.00 4.67 O ATOM 297 OE2 GLU A 20 -15.721 0.883 3.640 1.00 4.69 O ATOM 0 H GLU A 20 -12.579 -2.572 6.938 1.00 2.13 H new ATOM 0 HA GLU A 20 -15.316 -2.604 7.638 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -16.204 -1.210 5.788 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -15.423 -0.281 7.052 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -13.414 -0.024 5.630 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -14.182 -0.967 4.368 1.00 3.54 H new ATOM 304 N THR A 21 -13.683 -4.289 5.951 1.00 2.07 N ATOM 305 CA THR A 21 -13.464 -5.358 5.005 1.00 2.31 C ATOM 306 C THR A 21 -12.989 -6.586 5.801 1.00 2.42 C ATOM 307 O THR A 21 -12.123 -7.352 5.383 1.00 2.89 O ATOM 308 CB THR A 21 -12.404 -4.894 3.936 1.00 2.31 C ATOM 309 OG1 THR A 21 -12.303 -5.799 2.838 1.00 2.58 O ATOM 310 CG2 THR A 21 -11.025 -4.710 4.560 1.00 2.00 C ATOM 0 H THR A 21 -13.058 -4.311 6.757 1.00 2.07 H new ATOM 0 HA THR A 21 -14.374 -5.617 4.464 1.00 2.31 H new ATOM 0 HB THR A 21 -12.762 -3.936 3.559 1.00 2.31 H new ATOM 0 HG1 THR A 21 -11.750 -5.400 2.135 1.00 2.58 H new ATOM 0 HG21 THR A 21 -10.319 -4.390 3.794 1.00 2.00 H new ATOM 0 HG22 THR A 21 -11.078 -3.954 5.343 1.00 2.00 H new ATOM 0 HG23 THR A 21 -10.691 -5.655 4.989 1.00 2.00 H new ATOM 318 N ASP A 22 -13.651 -6.805 6.912 1.00 2.59 N ATOM 319 CA ASP A 22 -13.272 -7.819 7.866 1.00 2.92 C ATOM 320 C ASP A 22 -13.355 -9.196 7.325 1.00 2.46 C ATOM 321 O ASP A 22 -14.430 -9.734 7.053 1.00 3.05 O ATOM 322 CB ASP A 22 -14.010 -7.680 9.164 1.00 3.98 C ATOM 323 CG ASP A 22 -13.453 -6.574 10.001 1.00 4.45 C ATOM 324 OD1 ASP A 22 -13.666 -5.396 9.680 1.00 4.62 O ATOM 325 OD2 ASP A 22 -12.759 -6.873 10.988 1.00 4.98 O ATOM 0 H ASP A 22 -14.480 -6.276 7.182 1.00 2.59 H new ATOM 0 HA ASP A 22 -12.217 -7.645 8.075 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -15.065 -7.490 8.964 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -13.954 -8.618 9.717 1.00 3.98 H new ATOM 330 N GLY A 23 -12.212 -9.760 7.195 1.00 1.97 N ATOM 331 CA GLY A 23 -12.072 -11.036 6.619 1.00 2.01 C ATOM 332 C GLY A 23 -11.678 -10.892 5.195 1.00 1.57 C ATOM 333 O GLY A 23 -12.323 -11.424 4.277 1.00 1.97 O ATOM 0 H GLY A 23 -11.333 -9.336 7.493 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -11.320 -11.611 7.160 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -13.010 -11.586 6.695 1.00 2.01 H new ATOM 337 N THR A 24 -10.634 -10.162 5.023 1.00 1.42 N ATOM 338 CA THR A 24 -10.091 -9.850 3.764 1.00 1.24 C ATOM 339 C THR A 24 -9.270 -11.034 3.320 1.00 1.16 C ATOM 340 O THR A 24 -8.373 -11.459 4.061 1.00 1.49 O ATOM 341 CB THR A 24 -9.138 -8.672 3.963 1.00 1.62 C ATOM 342 OG1 THR A 24 -9.600 -7.884 5.084 1.00 2.43 O ATOM 343 CG2 THR A 24 -9.136 -7.802 2.729 1.00 1.98 C ATOM 0 H THR A 24 -10.116 -9.750 5.799 1.00 1.42 H new ATOM 0 HA THR A 24 -10.869 -9.615 3.037 1.00 1.24 H new ATOM 0 HB THR A 24 -8.131 -9.047 4.147 1.00 1.62 H new ATOM 0 HG1 THR A 24 -10.579 -7.851 5.079 1.00 2.43 H new ATOM 0 HG21 THR A 24 -8.455 -6.964 2.876 1.00 1.98 H new ATOM 0 HG22 THR A 24 -8.809 -8.389 1.871 1.00 1.98 H new ATOM 0 HG23 THR A 24 -10.142 -7.425 2.548 1.00 1.98 H new ATOM 351 N ASP A 25 -9.623 -11.633 2.196 1.00 1.06 N ATOM 352 CA ASP A 25 -8.805 -12.711 1.632 1.00 1.14 C ATOM 353 C ASP A 25 -7.496 -12.102 1.173 1.00 0.91 C ATOM 354 O ASP A 25 -7.361 -11.654 0.042 1.00 1.11 O ATOM 355 CB ASP A 25 -9.499 -13.436 0.459 1.00 1.52 C ATOM 356 CG ASP A 25 -10.765 -14.150 0.862 1.00 1.99 C ATOM 357 OD1 ASP A 25 -10.685 -15.274 1.403 1.00 2.41 O ATOM 358 OD2 ASP A 25 -11.871 -13.608 0.645 1.00 2.49 O ATOM 0 H ASP A 25 -10.457 -11.401 1.657 1.00 1.06 H new ATOM 0 HA ASP A 25 -8.643 -13.467 2.400 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.732 -12.710 -0.320 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -8.806 -14.157 0.026 1.00 1.52 H new ATOM 363 N LEU A 26 -6.583 -12.001 2.099 1.00 0.84 N ATOM 364 CA LEU A 26 -5.340 -11.328 1.889 1.00 0.77 C ATOM 365 C LEU A 26 -4.204 -12.324 2.091 1.00 0.86 C ATOM 366 O LEU A 26 -3.034 -11.953 2.194 1.00 1.05 O ATOM 367 CB LEU A 26 -5.262 -10.171 2.904 1.00 0.94 C ATOM 368 CG LEU A 26 -4.297 -9.024 2.607 1.00 0.85 C ATOM 369 CD1 LEU A 26 -4.736 -8.273 1.362 1.00 1.22 C ATOM 370 CD2 LEU A 26 -4.245 -8.078 3.789 1.00 1.11 C ATOM 0 H LEU A 26 -6.688 -12.392 3.035 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.260 -10.926 0.879 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -6.262 -9.749 3.008 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.992 -10.593 3.872 1.00 0.94 H new ATOM 0 HG LEU A 26 -3.303 -9.437 2.433 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -4.039 -7.459 1.163 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -4.750 -8.955 0.512 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -5.735 -7.865 1.516 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -3.556 -7.262 3.572 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -5.240 -7.673 3.975 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.902 -8.617 4.672 1.00 1.11 H new ATOM 382 N SER A 27 -4.565 -13.587 2.160 1.00 0.96 N ATOM 383 CA SER A 27 -3.605 -14.642 2.271 1.00 1.13 C ATOM 384 C SER A 27 -3.441 -15.284 0.895 1.00 1.20 C ATOM 385 O SER A 27 -4.303 -15.094 0.014 1.00 1.66 O ATOM 386 CB SER A 27 -4.026 -15.656 3.355 1.00 1.36 C ATOM 387 OG SER A 27 -5.356 -16.124 3.166 1.00 1.89 O ATOM 0 H SER A 27 -5.535 -13.902 2.140 1.00 0.96 H new ATOM 0 HA SER A 27 -2.639 -14.249 2.590 1.00 1.13 H new ATOM 0 HB2 SER A 27 -3.340 -16.503 3.344 1.00 1.36 H new ATOM 0 HB3 SER A 27 -3.943 -15.191 4.337 1.00 1.36 H new ATOM 0 HG SER A 27 -5.581 -16.765 3.873 1.00 1.89 H new ATOM 393 N GLY A 28 -2.383 -16.025 0.702 1.00 1.48 N ATOM 394 CA GLY A 28 -2.101 -16.559 -0.598 1.00 1.67 C ATOM 395 C GLY A 28 -1.481 -15.491 -1.458 1.00 1.54 C ATOM 396 O GLY A 28 -0.388 -15.001 -1.145 1.00 2.30 O ATOM 0 H GLY A 28 -1.707 -16.270 1.425 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -1.425 -17.410 -0.514 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -3.019 -16.924 -1.059 1.00 1.67 H new ATOM 400 N ASP A 29 -2.152 -15.121 -2.512 1.00 1.09 N ATOM 401 CA ASP A 29 -1.707 -14.023 -3.336 1.00 1.07 C ATOM 402 C ASP A 29 -2.728 -12.929 -3.299 1.00 0.87 C ATOM 403 O ASP A 29 -3.874 -13.120 -3.698 1.00 1.13 O ATOM 404 CB ASP A 29 -1.459 -14.429 -4.788 1.00 1.48 C ATOM 405 CG ASP A 29 -1.034 -13.240 -5.649 1.00 2.24 C ATOM 406 OD1 ASP A 29 -1.900 -12.466 -6.089 1.00 2.97 O ATOM 407 OD2 ASP A 29 0.184 -13.060 -5.893 1.00 2.56 O ATOM 0 H ASP A 29 -3.015 -15.564 -2.826 1.00 1.09 H new ATOM 0 HA ASP A 29 -0.755 -13.683 -2.928 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -0.686 -15.197 -4.823 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -2.366 -14.870 -5.201 1.00 1.48 H new ATOM 412 N PHE A 30 -2.324 -11.804 -2.805 1.00 0.67 N ATOM 413 CA PHE A 30 -3.167 -10.637 -2.783 1.00 0.57 C ATOM 414 C PHE A 30 -2.566 -9.578 -3.686 1.00 0.49 C ATOM 415 O PHE A 30 -3.021 -8.453 -3.745 1.00 0.48 O ATOM 416 CB PHE A 30 -3.320 -10.101 -1.344 1.00 0.59 C ATOM 417 CG PHE A 30 -2.030 -9.658 -0.671 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.215 -10.571 -0.027 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.649 -8.324 -0.679 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.054 -10.167 0.589 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.487 -7.915 -0.065 1.00 0.65 C ATOM 422 CZ PHE A 30 0.312 -8.836 0.569 1.00 0.73 C ATOM 0 H PHE A 30 -1.398 -11.661 -2.402 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.160 -10.902 -3.145 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.009 -9.257 -1.360 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -3.781 -10.877 -0.733 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.494 -11.614 -0.008 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.274 -7.595 -1.174 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.572 -10.891 1.089 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.204 -6.873 -0.081 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.225 -8.519 1.051 1.00 0.73 H new ATOM 432 N LEU A 31 -1.552 -9.968 -4.418 1.00 0.54 N ATOM 433 CA LEU A 31 -0.819 -9.070 -5.241 1.00 0.60 C ATOM 434 C LEU A 31 -1.531 -8.859 -6.556 1.00 0.63 C ATOM 435 O LEU A 31 -1.451 -7.784 -7.140 1.00 0.72 O ATOM 436 CB LEU A 31 0.623 -9.561 -5.452 1.00 0.75 C ATOM 437 CG LEU A 31 1.578 -9.557 -4.229 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.620 -8.191 -3.552 1.00 0.75 C ATOM 439 CD2 LEU A 31 1.244 -10.660 -3.230 1.00 1.43 C ATOM 0 H LEU A 31 -1.217 -10.931 -4.452 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.760 -8.108 -4.732 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.576 -10.580 -5.836 1.00 0.75 H new ATOM 0 HB3 LEU A 31 1.075 -8.947 -6.231 1.00 0.75 H new ATOM 0 HG LEU A 31 2.576 -9.767 -4.613 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.299 -8.228 -2.700 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.970 -7.443 -4.263 1.00 0.75 H new ATOM 0 HD13 LEU A 31 0.621 -7.925 -3.208 1.00 0.75 H new ATOM 0 HD21 LEU A 31 1.940 -10.615 -2.392 1.00 1.43 H new ATOM 0 HD22 LEU A 31 0.227 -10.523 -2.864 1.00 1.43 H new ATOM 0 HD23 LEU A 31 1.326 -11.631 -3.719 1.00 1.43 H new ATOM 451 N ASP A 32 -2.236 -9.888 -7.006 1.00 0.66 N ATOM 452 CA ASP A 32 -3.035 -9.812 -8.236 1.00 0.83 C ATOM 453 C ASP A 32 -4.500 -9.565 -7.866 1.00 0.73 C ATOM 454 O ASP A 32 -5.434 -9.807 -8.636 1.00 0.96 O ATOM 455 CB ASP A 32 -2.883 -11.110 -9.044 1.00 1.10 C ATOM 456 CG ASP A 32 -3.439 -11.008 -10.452 1.00 1.70 C ATOM 457 OD1 ASP A 32 -2.842 -10.275 -11.283 1.00 2.33 O ATOM 458 OD2 ASP A 32 -4.430 -11.676 -10.763 1.00 2.26 O ATOM 0 H ASP A 32 -2.275 -10.794 -6.539 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.683 -8.988 -8.856 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -1.827 -11.376 -9.096 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -3.390 -11.919 -8.518 1.00 1.10 H new ATOM 463 N LEU A 33 -4.681 -9.084 -6.672 1.00 0.50 N ATOM 464 CA LEU A 33 -5.971 -8.730 -6.162 1.00 0.50 C ATOM 465 C LEU A 33 -6.011 -7.205 -6.180 1.00 0.50 C ATOM 466 O LEU A 33 -4.972 -6.572 -6.063 1.00 0.78 O ATOM 467 CB LEU A 33 -6.109 -9.285 -4.743 1.00 0.49 C ATOM 468 CG LEU A 33 -7.491 -9.238 -4.097 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.490 -10.065 -4.897 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.402 -9.762 -2.680 1.00 0.70 C ATOM 0 H LEU A 33 -3.920 -8.924 -6.012 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.794 -9.138 -6.749 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.779 -10.324 -4.755 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.419 -8.739 -4.100 1.00 0.49 H new ATOM 0 HG LEU A 33 -7.838 -8.205 -4.084 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.468 -10.017 -4.418 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.562 -9.669 -5.910 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.156 -11.102 -4.936 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.388 -9.729 -2.217 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.042 -10.791 -2.694 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -6.711 -9.144 -2.106 1.00 0.70 H new ATOM 482 N ARG A 34 -7.147 -6.624 -6.369 1.00 0.34 N ATOM 483 CA ARG A 34 -7.218 -5.182 -6.524 1.00 0.37 C ATOM 484 C ARG A 34 -7.667 -4.503 -5.239 1.00 0.35 C ATOM 485 O ARG A 34 -8.459 -5.066 -4.469 1.00 0.40 O ATOM 486 CB ARG A 34 -8.181 -4.816 -7.645 1.00 0.45 C ATOM 487 CG ARG A 34 -7.906 -5.504 -8.979 1.00 0.60 C ATOM 488 CD ARG A 34 -8.867 -5.011 -10.042 1.00 1.01 C ATOM 489 NE ARG A 34 -8.694 -3.580 -10.245 1.00 1.74 N ATOM 490 CZ ARG A 34 -9.637 -2.643 -10.137 1.00 2.51 C ATOM 491 NH1 ARG A 34 -10.919 -2.971 -9.985 1.00 2.74 N ATOM 492 NH2 ARG A 34 -9.286 -1.381 -10.217 1.00 3.50 N ATOM 0 H ARG A 34 -8.043 -7.108 -6.422 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.215 -4.832 -6.770 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.195 -5.062 -7.328 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.147 -3.737 -7.796 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -6.880 -5.309 -9.290 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -8.004 -6.584 -8.865 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -8.692 -5.543 -10.977 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -9.893 -5.223 -9.742 1.00 1.01 H new ATOM 0 HE ARG A 34 -7.758 -3.262 -10.495 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -11.193 -3.953 -9.949 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -11.626 -2.240 -9.904 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -8.307 -1.132 -10.359 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -9.992 -0.649 -10.137 1.00 3.50 H new ATOM 506 N PHE A 35 -7.190 -3.273 -5.021 1.00 0.36 N ATOM 507 CA PHE A 35 -7.565 -2.483 -3.836 1.00 0.39 C ATOM 508 C PHE A 35 -9.066 -2.243 -3.769 1.00 0.47 C ATOM 509 O PHE A 35 -9.661 -2.259 -2.690 1.00 0.54 O ATOM 510 CB PHE A 35 -6.830 -1.132 -3.776 1.00 0.41 C ATOM 511 CG PHE A 35 -5.393 -1.203 -3.347 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.075 -1.480 -2.031 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.369 -0.978 -4.242 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.760 -1.535 -1.613 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.057 -1.027 -3.835 1.00 0.47 C ATOM 516 CZ PHE A 35 -2.751 -1.307 -2.515 1.00 0.47 C ATOM 0 H PHE A 35 -6.542 -2.799 -5.650 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.262 -3.078 -2.975 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -6.876 -0.668 -4.761 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.365 -0.476 -3.090 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -5.867 -1.656 -1.318 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.600 -0.761 -5.274 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.527 -1.756 -0.582 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.264 -0.847 -4.546 1.00 0.47 H new ATOM 0 HZ PHE A 35 -1.720 -1.346 -2.195 1.00 0.47 H new ATOM 526 N GLU A 36 -9.677 -2.060 -4.916 1.00 0.57 N ATOM 527 CA GLU A 36 -11.104 -1.807 -4.987 1.00 0.76 C ATOM 528 C GLU A 36 -11.922 -3.040 -4.588 1.00 0.74 C ATOM 529 O GLU A 36 -13.068 -2.920 -4.165 1.00 0.87 O ATOM 530 CB GLU A 36 -11.494 -1.277 -6.364 1.00 0.97 C ATOM 531 CG GLU A 36 -10.867 0.077 -6.680 1.00 1.31 C ATOM 532 CD GLU A 36 -11.254 0.601 -8.038 1.00 1.56 C ATOM 533 OE1 GLU A 36 -12.393 1.018 -8.225 1.00 2.06 O ATOM 534 OE2 GLU A 36 -10.405 0.644 -8.939 1.00 1.81 O ATOM 0 H GLU A 36 -9.207 -2.081 -5.821 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.342 -1.032 -4.259 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.192 -1.998 -7.124 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -12.579 -1.191 -6.420 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -11.168 0.797 -5.919 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -9.782 -0.009 -6.626 1.00 1.31 H new ATOM 541 N ASP A 37 -11.316 -4.217 -4.686 1.00 0.66 N ATOM 542 CA ASP A 37 -11.992 -5.459 -4.304 1.00 0.73 C ATOM 543 C ASP A 37 -11.792 -5.764 -2.835 1.00 0.73 C ATOM 544 O ASP A 37 -12.536 -6.545 -2.245 1.00 0.89 O ATOM 545 CB ASP A 37 -11.549 -6.662 -5.147 1.00 0.75 C ATOM 546 CG ASP A 37 -11.950 -6.551 -6.598 1.00 1.29 C ATOM 547 OD1 ASP A 37 -13.112 -6.852 -6.944 1.00 1.28 O ATOM 548 OD2 ASP A 37 -11.121 -6.159 -7.425 1.00 2.20 O ATOM 0 H ASP A 37 -10.362 -4.342 -5.025 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.052 -5.294 -4.497 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -10.466 -6.763 -5.083 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.980 -7.571 -4.726 1.00 0.75 H new ATOM 553 N ILE A 38 -10.784 -5.147 -2.232 1.00 0.63 N ATOM 554 CA ILE A 38 -10.524 -5.350 -0.810 1.00 0.68 C ATOM 555 C ILE A 38 -11.116 -4.226 0.033 1.00 0.68 C ATOM 556 O ILE A 38 -10.803 -4.087 1.211 1.00 0.73 O ATOM 557 CB ILE A 38 -9.020 -5.562 -0.454 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.151 -4.383 -0.920 1.00 0.55 C ATOM 559 CG2 ILE A 38 -8.515 -6.867 -1.035 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.679 -4.520 -0.577 1.00 0.64 C ATOM 0 H ILE A 38 -10.139 -4.509 -2.698 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.027 -6.286 -0.566 1.00 0.68 H new ATOM 0 HB ILE A 38 -8.942 -5.611 0.632 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.252 -4.276 -2.000 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.533 -3.466 -0.472 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.464 -6.998 -0.777 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.095 -7.695 -0.628 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.622 -6.848 -2.120 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.138 -3.647 -0.941 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.563 -4.594 0.504 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.278 -5.418 -1.048 1.00 0.64 H new ATOM 572 N GLY A 39 -12.027 -3.483 -0.564 1.00 0.69 N ATOM 573 CA GLY A 39 -12.722 -2.426 0.128 1.00 0.77 C ATOM 574 C GLY A 39 -11.900 -1.166 0.355 1.00 0.65 C ATOM 575 O GLY A 39 -12.222 -0.384 1.254 1.00 0.74 O ATOM 0 H GLY A 39 -12.303 -3.598 -1.539 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.614 -2.164 -0.440 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.059 -2.803 1.094 1.00 0.77 H new ATOM 579 N TYR A 40 -10.867 -0.941 -0.445 1.00 0.52 N ATOM 580 CA TYR A 40 -10.060 0.260 -0.273 1.00 0.47 C ATOM 581 C TYR A 40 -10.635 1.468 -0.951 1.00 0.49 C ATOM 582 O TYR A 40 -11.061 1.427 -2.114 1.00 0.61 O ATOM 583 CB TYR A 40 -8.569 0.078 -0.641 1.00 0.46 C ATOM 584 CG TYR A 40 -7.725 -0.440 0.493 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.130 -1.515 1.267 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.533 0.193 0.823 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.369 -1.948 2.325 1.00 0.74 C ATOM 588 CE2 TYR A 40 -5.776 -0.228 1.888 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.193 -1.299 2.633 1.00 0.81 C ATOM 590 OH TYR A 40 -5.459 -1.693 3.715 1.00 1.02 O ATOM 0 H TYR A 40 -10.572 -1.557 -1.202 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.096 0.441 0.801 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.493 -0.610 -1.483 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.167 1.035 -0.974 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.057 -2.019 1.035 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.196 1.031 0.231 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -7.691 -2.794 2.914 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -4.857 0.282 2.137 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.755 -2.581 4.005 1.00 1.02 H new ATOM 600 N ASP A 41 -10.677 2.523 -0.196 1.00 0.48 N ATOM 601 CA ASP A 41 -11.089 3.814 -0.660 1.00 0.56 C ATOM 602 C ASP A 41 -9.807 4.626 -0.837 1.00 0.45 C ATOM 603 O ASP A 41 -8.703 4.113 -0.584 1.00 0.39 O ATOM 604 CB ASP A 41 -11.997 4.484 0.400 1.00 0.75 C ATOM 605 CG ASP A 41 -12.676 5.765 -0.079 1.00 1.11 C ATOM 606 OD1 ASP A 41 -12.083 6.857 0.048 1.00 2.01 O ATOM 607 OD2 ASP A 41 -13.805 5.694 -0.603 1.00 1.20 O ATOM 0 H ASP A 41 -10.418 2.510 0.790 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.652 3.748 -1.591 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.763 3.773 0.708 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.400 4.711 1.283 1.00 0.75 H new ATOM 612 N SER A 42 -9.947 5.854 -1.207 1.00 0.57 N ATOM 613 CA SER A 42 -8.850 6.740 -1.407 1.00 0.62 C ATOM 614 C SER A 42 -8.186 7.019 -0.064 1.00 0.53 C ATOM 615 O SER A 42 -6.964 6.983 0.053 1.00 0.54 O ATOM 616 CB SER A 42 -9.377 8.030 -2.036 1.00 0.83 C ATOM 617 OG SER A 42 -8.331 9.028 -2.134 1.00 1.24 O ATOM 0 H SER A 42 -10.856 6.282 -1.384 1.00 0.57 H new ATOM 0 HA SER A 42 -8.109 6.298 -2.073 1.00 0.62 H new ATOM 0 HB2 SER A 42 -9.776 7.818 -3.028 1.00 0.83 H new ATOM 0 HB3 SER A 42 -10.201 8.420 -1.438 1.00 0.83 H new ATOM 622 N LEU A 43 -9.016 7.232 0.958 1.00 0.53 N ATOM 623 CA LEU A 43 -8.540 7.530 2.300 1.00 0.54 C ATOM 624 C LEU A 43 -7.594 6.448 2.785 1.00 0.45 C ATOM 625 O LEU A 43 -6.458 6.734 3.166 1.00 0.47 O ATOM 626 CB LEU A 43 -9.703 7.672 3.281 1.00 0.68 C ATOM 627 CG LEU A 43 -10.728 8.762 2.978 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.789 8.786 4.059 1.00 1.00 C ATOM 629 CD2 LEU A 43 -10.055 10.117 2.873 1.00 0.90 C ATOM 0 H LEU A 43 -10.032 7.202 0.875 1.00 0.53 H new ATOM 0 HA LEU A 43 -8.006 8.479 2.255 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.226 6.717 3.329 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.291 7.859 4.272 1.00 0.68 H new ATOM 0 HG LEU A 43 -11.199 8.540 2.020 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.517 9.566 3.837 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.292 7.820 4.097 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.322 8.990 5.023 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.804 10.879 2.657 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.560 10.351 3.815 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -9.317 10.095 2.071 1.00 0.90 H new ATOM 641 N ALA A 44 -8.070 5.212 2.740 1.00 0.44 N ATOM 642 CA ALA A 44 -7.298 4.055 3.128 1.00 0.41 C ATOM 643 C ALA A 44 -5.990 3.959 2.360 1.00 0.35 C ATOM 644 O ALA A 44 -4.970 3.631 2.945 1.00 0.38 O ATOM 645 CB ALA A 44 -8.109 2.782 2.950 1.00 0.43 C ATOM 0 H ALA A 44 -9.015 4.989 2.428 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.052 4.173 4.183 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -7.508 1.923 3.248 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.004 2.831 3.570 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.397 2.678 1.904 1.00 0.43 H new ATOM 651 N LEU A 45 -6.018 4.284 1.066 1.00 0.34 N ATOM 652 CA LEU A 45 -4.824 4.203 0.223 1.00 0.33 C ATOM 653 C LEU A 45 -3.765 5.203 0.736 1.00 0.32 C ATOM 654 O LEU A 45 -2.604 4.826 0.949 1.00 0.36 O ATOM 655 CB LEU A 45 -5.168 4.539 -1.248 1.00 0.48 C ATOM 656 CG LEU A 45 -4.281 3.915 -2.369 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.822 3.807 -2.006 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.784 2.587 -2.807 1.00 0.37 C ATOM 0 H LEU A 45 -6.855 4.606 0.579 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.435 3.186 0.270 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -6.198 4.232 -1.428 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.134 5.623 -1.360 1.00 0.48 H new ATOM 0 HG LEU A 45 -4.357 4.619 -3.197 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.272 3.364 -2.836 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.425 4.800 -1.797 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.713 3.179 -1.122 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -4.135 2.192 -3.588 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.790 1.902 -1.959 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.797 2.692 -3.196 1.00 0.37 H new ATOM 670 N MET A 46 -4.186 6.466 0.943 1.00 0.37 N ATOM 671 CA MET A 46 -3.283 7.545 1.425 1.00 0.46 C ATOM 672 C MET A 46 -2.627 7.075 2.690 1.00 0.48 C ATOM 673 O MET A 46 -1.421 7.055 2.817 1.00 0.54 O ATOM 674 CB MET A 46 -4.057 8.811 1.830 1.00 0.59 C ATOM 675 CG MET A 46 -5.156 9.227 0.926 1.00 0.54 C ATOM 676 SD MET A 46 -5.971 10.742 1.487 1.00 0.89 S ATOM 677 CE MET A 46 -6.406 10.291 3.171 1.00 1.84 C ATOM 0 H MET A 46 -5.147 6.771 0.785 1.00 0.37 H new ATOM 0 HA MET A 46 -2.587 7.768 0.616 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.474 8.654 2.825 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.348 9.635 1.908 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.759 9.381 -0.078 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.891 8.425 0.859 1.00 0.54 H new ATOM 0 HE1 MET A 46 -7.413 10.645 3.394 1.00 1.84 H new ATOM 0 HE2 MET A 46 -6.370 9.207 3.278 1.00 1.84 H new ATOM 0 HE3 MET A 46 -5.699 10.748 3.864 1.00 1.84 H new ATOM 687 N GLU A 47 -3.476 6.674 3.595 1.00 0.49 N ATOM 688 CA GLU A 47 -3.139 6.191 4.898 1.00 0.55 C ATOM 689 C GLU A 47 -2.177 4.985 4.861 1.00 0.54 C ATOM 690 O GLU A 47 -1.240 4.918 5.654 1.00 0.71 O ATOM 691 CB GLU A 47 -4.452 5.896 5.584 1.00 0.58 C ATOM 692 CG GLU A 47 -5.161 7.146 6.092 1.00 0.82 C ATOM 693 CD GLU A 47 -4.394 7.853 7.192 1.00 1.48 C ATOM 694 OE1 GLU A 47 -3.399 8.532 6.912 1.00 2.31 O ATOM 695 OE2 GLU A 47 -4.775 7.722 8.374 1.00 1.84 O ATOM 0 H GLU A 47 -4.482 6.677 3.428 1.00 0.49 H new ATOM 0 HA GLU A 47 -2.577 6.937 5.460 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.108 5.372 4.888 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.273 5.222 6.422 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -5.312 7.835 5.261 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -6.149 6.872 6.463 1.00 0.82 H new ATOM 702 N THR A 48 -2.406 4.072 3.929 1.00 0.42 N ATOM 703 CA THR A 48 -1.513 2.934 3.697 1.00 0.42 C ATOM 704 C THR A 48 -0.100 3.459 3.378 1.00 0.39 C ATOM 705 O THR A 48 0.871 3.160 4.092 1.00 0.41 O ATOM 706 CB THR A 48 -2.028 2.108 2.481 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.333 1.602 2.751 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.106 0.945 2.149 1.00 0.45 C ATOM 0 H THR A 48 -3.216 4.094 3.309 1.00 0.42 H new ATOM 0 HA THR A 48 -1.488 2.304 4.586 1.00 0.42 H new ATOM 0 HB THR A 48 -2.052 2.780 1.623 1.00 0.41 H new ATOM 0 HG1 THR A 48 -3.993 2.315 2.625 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.504 0.397 1.295 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.114 1.325 1.905 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.038 0.278 3.008 1.00 0.45 H new ATOM 716 N ALA A 49 -0.013 4.267 2.323 1.00 0.39 N ATOM 717 CA ALA A 49 1.250 4.815 1.862 1.00 0.40 C ATOM 718 C ALA A 49 1.907 5.674 2.940 1.00 0.42 C ATOM 719 O ALA A 49 3.083 5.516 3.219 1.00 0.41 O ATOM 720 CB ALA A 49 1.044 5.624 0.588 1.00 0.43 C ATOM 0 H ALA A 49 -0.818 4.557 1.768 1.00 0.39 H new ATOM 0 HA ALA A 49 1.919 3.982 1.644 1.00 0.40 H new ATOM 0 HB1 ALA A 49 2.000 6.028 0.255 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.632 4.980 -0.189 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.353 6.443 0.785 1.00 0.43 H new ATOM 726 N ALA A 50 1.116 6.533 3.571 1.00 0.46 N ATOM 727 CA ALA A 50 1.592 7.460 4.602 1.00 0.51 C ATOM 728 C ALA A 50 2.223 6.731 5.782 1.00 0.49 C ATOM 729 O ALA A 50 3.289 7.126 6.274 1.00 0.49 O ATOM 730 CB ALA A 50 0.460 8.347 5.081 1.00 0.62 C ATOM 0 H ALA A 50 0.116 6.610 3.383 1.00 0.46 H new ATOM 0 HA ALA A 50 2.365 8.078 4.147 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.831 9.029 5.846 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.068 8.922 4.242 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.334 7.729 5.500 1.00 0.62 H new ATOM 736 N ARG A 51 1.579 5.645 6.218 1.00 0.51 N ATOM 737 CA ARG A 51 2.083 4.840 7.325 1.00 0.54 C ATOM 738 C ARG A 51 3.426 4.221 6.941 1.00 0.50 C ATOM 739 O ARG A 51 4.316 4.043 7.769 1.00 0.61 O ATOM 740 CB ARG A 51 1.021 3.766 7.731 1.00 0.62 C ATOM 741 CG ARG A 51 1.397 2.834 8.899 1.00 0.87 C ATOM 742 CD ARG A 51 2.257 1.645 8.463 1.00 1.36 C ATOM 743 NE ARG A 51 2.751 0.859 9.607 1.00 2.18 N ATOM 744 CZ ARG A 51 3.079 -0.440 9.576 1.00 3.05 C ATOM 745 NH1 ARG A 51 2.885 -1.148 8.468 1.00 3.48 N ATOM 746 NH2 ARG A 51 3.588 -1.030 10.648 1.00 3.91 N ATOM 0 H ARG A 51 0.705 5.305 5.817 1.00 0.51 H new ATOM 0 HA ARG A 51 2.252 5.469 8.199 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.096 4.282 7.990 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.808 3.150 6.858 1.00 0.62 H new ATOM 0 HG2 ARG A 51 1.935 3.407 9.655 1.00 0.87 H new ATOM 0 HG3 ARG A 51 0.486 2.463 9.369 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.673 0.999 7.807 1.00 1.36 H new ATOM 0 HD3 ARG A 51 3.105 2.007 7.882 1.00 1.36 H new ATOM 0 HE ARG A 51 2.852 1.345 10.498 1.00 2.18 H new ATOM 0 HH11 ARG A 51 2.487 -0.703 7.641 1.00 3.48 H new ATOM 0 HH12 ARG A 51 3.135 -2.137 8.444 1.00 3.48 H new ATOM 0 HH21 ARG A 51 3.733 -0.495 11.504 1.00 3.91 H new ATOM 0 HH22 ARG A 51 3.835 -2.019 10.617 1.00 3.91 H new ATOM 760 N LEU A 52 3.576 3.918 5.681 1.00 0.41 N ATOM 761 CA LEU A 52 4.800 3.338 5.192 1.00 0.39 C ATOM 762 C LEU A 52 5.891 4.410 5.011 1.00 0.36 C ATOM 763 O LEU A 52 7.075 4.133 5.245 1.00 0.38 O ATOM 764 CB LEU A 52 4.542 2.568 3.894 1.00 0.36 C ATOM 765 CG LEU A 52 3.511 1.422 3.994 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.285 0.767 2.644 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.951 0.383 5.018 1.00 0.48 C ATOM 0 H LEU A 52 2.861 4.064 4.968 1.00 0.41 H new ATOM 0 HA LEU A 52 5.168 2.630 5.935 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.203 3.273 3.135 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.487 2.153 3.544 1.00 0.36 H new ATOM 0 HG LEU A 52 2.567 1.856 4.324 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.555 -0.036 2.747 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.912 1.509 1.938 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.226 0.357 2.277 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.209 -0.414 5.070 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.913 -0.036 4.721 1.00 0.48 H new ATOM 0 HD23 LEU A 52 4.047 0.854 5.996 1.00 0.48 H new ATOM 779 N GLU A 53 5.486 5.632 4.636 1.00 0.35 N ATOM 780 CA GLU A 53 6.411 6.766 4.458 1.00 0.37 C ATOM 781 C GLU A 53 7.176 7.063 5.738 1.00 0.41 C ATOM 782 O GLU A 53 8.411 7.117 5.731 1.00 0.45 O ATOM 783 CB GLU A 53 5.679 8.051 4.035 1.00 0.40 C ATOM 784 CG GLU A 53 4.968 7.998 2.700 1.00 0.44 C ATOM 785 CD GLU A 53 4.348 9.333 2.349 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.249 9.638 2.843 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.935 10.094 1.562 1.00 0.65 O ATOM 0 H GLU A 53 4.511 5.864 4.447 1.00 0.35 H new ATOM 0 HA GLU A 53 7.100 6.466 3.669 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.948 8.300 4.804 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.402 8.866 4.007 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.674 7.708 1.922 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.193 7.232 2.729 1.00 0.44 H new ATOM 794 N SER A 54 6.444 7.225 6.826 1.00 0.45 N ATOM 795 CA SER A 54 7.005 7.586 8.129 1.00 0.54 C ATOM 796 C SER A 54 7.863 6.456 8.727 1.00 0.52 C ATOM 797 O SER A 54 8.763 6.684 9.549 1.00 0.62 O ATOM 798 CB SER A 54 5.850 7.924 9.053 1.00 0.69 C ATOM 799 OG SER A 54 4.871 6.886 9.005 1.00 1.38 O ATOM 0 H SER A 54 5.431 7.110 6.836 1.00 0.45 H new ATOM 0 HA SER A 54 7.669 8.442 8.008 1.00 0.54 H new ATOM 0 HB2 SER A 54 6.213 8.047 10.073 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.402 8.873 8.758 1.00 0.69 H new ATOM 0 HG SER A 54 4.128 7.109 9.604 1.00 1.38 H new ATOM 805 N ARG A 55 7.591 5.254 8.310 1.00 0.53 N ATOM 806 CA ARG A 55 8.291 4.112 8.820 1.00 0.62 C ATOM 807 C ARG A 55 9.572 3.826 8.042 1.00 0.57 C ATOM 808 O ARG A 55 10.628 3.650 8.633 1.00 0.68 O ATOM 809 CB ARG A 55 7.372 2.904 8.832 1.00 0.78 C ATOM 810 CG ARG A 55 8.010 1.623 9.326 1.00 0.95 C ATOM 811 CD ARG A 55 6.988 0.524 9.365 1.00 1.19 C ATOM 812 NE ARG A 55 7.596 -0.779 9.552 1.00 1.42 N ATOM 813 CZ ARG A 55 7.237 -1.871 8.883 1.00 1.79 C ATOM 814 NH1 ARG A 55 6.265 -1.807 7.974 1.00 1.97 N ATOM 815 NH2 ARG A 55 7.847 -3.020 9.110 1.00 2.41 N ATOM 0 H ARG A 55 6.881 5.038 7.610 1.00 0.53 H new ATOM 0 HA ARG A 55 8.594 4.334 9.843 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.509 3.128 9.459 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.998 2.740 7.821 1.00 0.78 H new ATOM 0 HG2 ARG A 55 8.835 1.341 8.671 1.00 0.95 H new ATOM 0 HG3 ARG A 55 8.430 1.776 10.320 1.00 0.95 H new ATOM 0 HD2 ARG A 55 6.283 0.714 10.174 1.00 1.19 H new ATOM 0 HD3 ARG A 55 6.417 0.527 8.437 1.00 1.19 H new ATOM 0 HE ARG A 55 8.345 -0.863 10.239 1.00 1.42 H new ATOM 0 HH11 ARG A 55 5.796 -0.920 7.791 1.00 1.97 H new ATOM 0 HH12 ARG A 55 5.990 -2.645 7.461 1.00 1.97 H new ATOM 0 HH21 ARG A 55 8.596 -3.072 9.800 1.00 2.41 H new ATOM 0 HH22 ARG A 55 7.569 -3.855 8.595 1.00 2.41 H new ATOM 829 N TYR A 56 9.474 3.777 6.733 1.00 0.49 N ATOM 830 CA TYR A 56 10.624 3.437 5.907 1.00 0.54 C ATOM 831 C TYR A 56 11.489 4.649 5.574 1.00 0.53 C ATOM 832 O TYR A 56 12.701 4.520 5.406 1.00 0.71 O ATOM 833 CB TYR A 56 10.191 2.686 4.635 1.00 0.57 C ATOM 834 CG TYR A 56 9.685 1.278 4.908 1.00 0.68 C ATOM 835 CD1 TYR A 56 8.342 1.058 5.185 1.00 0.66 C ATOM 836 CD2 TYR A 56 10.532 0.169 4.866 1.00 0.94 C ATOM 837 CE1 TYR A 56 7.856 -0.209 5.411 1.00 0.82 C ATOM 838 CE2 TYR A 56 10.047 -1.106 5.085 1.00 1.09 C ATOM 839 CZ TYR A 56 8.815 -1.309 5.460 1.00 1.02 C ATOM 840 OH TYR A 56 8.205 -2.556 5.565 1.00 1.20 O ATOM 0 H TYR A 56 8.617 3.966 6.214 1.00 0.49 H new ATOM 0 HA TYR A 56 11.249 2.768 6.499 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.407 3.255 4.135 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.035 2.634 3.948 1.00 0.57 H new ATOM 0 HD1 TYR A 56 7.665 1.899 5.224 1.00 0.66 H new ATOM 0 HD2 TYR A 56 11.583 0.310 4.659 1.00 0.94 H new ATOM 0 HE1 TYR A 56 6.799 -0.384 5.548 1.00 0.82 H new ATOM 0 HE2 TYR A 56 10.702 -1.952 4.943 1.00 1.09 H new ATOM 0 HH TYR A 56 7.242 -2.438 5.704 1.00 1.20 H new ATOM 850 N GLY A 57 10.881 5.817 5.521 1.00 0.44 N ATOM 851 CA GLY A 57 11.624 7.014 5.192 1.00 0.45 C ATOM 852 C GLY A 57 11.500 7.363 3.723 1.00 0.45 C ATOM 853 O GLY A 57 12.487 7.674 3.061 1.00 0.60 O ATOM 0 H GLY A 57 9.887 5.961 5.699 1.00 0.44 H new ATOM 0 HA2 GLY A 57 11.261 7.846 5.796 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.675 6.872 5.445 1.00 0.45 H new ATOM 857 N VAL A 58 10.280 7.310 3.212 1.00 0.37 N ATOM 858 CA VAL A 58 10.023 7.600 1.809 1.00 0.39 C ATOM 859 C VAL A 58 9.016 8.741 1.681 1.00 0.40 C ATOM 860 O VAL A 58 8.644 9.359 2.685 1.00 0.42 O ATOM 861 CB VAL A 58 9.516 6.349 0.999 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.521 5.218 1.063 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.163 5.862 1.504 1.00 0.38 C ATOM 0 H VAL A 58 9.448 7.068 3.750 1.00 0.37 H new ATOM 0 HA VAL A 58 10.979 7.893 1.375 1.00 0.39 H new ATOM 0 HB VAL A 58 9.402 6.666 -0.038 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.147 4.366 0.496 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.469 5.549 0.638 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.672 4.924 2.102 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.846 4.998 0.920 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.246 5.580 2.554 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.427 6.659 1.400 1.00 0.38 H new ATOM 873 N SER A 59 8.580 9.014 0.472 1.00 0.46 N ATOM 874 CA SER A 59 7.589 10.023 0.199 1.00 0.56 C ATOM 875 C SER A 59 6.850 9.662 -1.085 1.00 0.54 C ATOM 876 O SER A 59 7.480 9.409 -2.119 1.00 0.61 O ATOM 877 CB SER A 59 8.246 11.413 0.084 1.00 0.79 C ATOM 878 OG SER A 59 8.894 11.762 1.311 1.00 1.33 O ATOM 0 H SER A 59 8.912 8.531 -0.362 1.00 0.46 H new ATOM 0 HA SER A 59 6.876 10.063 1.023 1.00 0.56 H new ATOM 0 HB2 SER A 59 8.971 11.413 -0.730 1.00 0.79 H new ATOM 0 HB3 SER A 59 7.491 12.160 -0.161 1.00 0.79 H new ATOM 0 HG SER A 59 9.308 12.646 1.222 1.00 1.33 H new ATOM 884 N ILE A 60 5.550 9.583 -0.996 1.00 0.48 N ATOM 885 CA ILE A 60 4.700 9.273 -2.125 1.00 0.46 C ATOM 886 C ILE A 60 3.639 10.356 -2.252 1.00 0.50 C ATOM 887 O ILE A 60 2.915 10.638 -1.288 1.00 0.58 O ATOM 888 CB ILE A 60 3.998 7.876 -1.982 1.00 0.44 C ATOM 889 CG1 ILE A 60 5.034 6.743 -1.915 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.019 7.628 -3.143 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.432 5.373 -1.723 1.00 1.13 C ATOM 0 H ILE A 60 5.039 9.734 -0.126 1.00 0.48 H new ATOM 0 HA ILE A 60 5.329 9.232 -3.014 1.00 0.46 H new ATOM 0 HB ILE A 60 3.434 7.886 -1.049 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.620 6.746 -2.834 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.724 6.944 -1.096 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.547 6.653 -3.019 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.254 8.404 -3.146 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.562 7.650 -4.088 1.00 0.43 H new ATOM 0 HD11 ILE A 60 5.227 4.628 -1.686 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.870 5.350 -0.790 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.764 5.149 -2.555 1.00 1.13 H new ATOM 903 N PRO A 61 3.559 11.012 -3.412 1.00 0.52 N ATOM 904 CA PRO A 61 2.542 12.018 -3.669 1.00 0.58 C ATOM 905 C PRO A 61 1.146 11.399 -3.649 1.00 0.52 C ATOM 906 O PRO A 61 0.936 10.303 -4.184 1.00 0.45 O ATOM 907 CB PRO A 61 2.877 12.528 -5.078 1.00 0.63 C ATOM 908 CG PRO A 61 4.291 12.118 -5.312 1.00 0.65 C ATOM 909 CD PRO A 61 4.466 10.840 -4.557 1.00 0.56 C ATOM 0 HA PRO A 61 2.538 12.808 -2.918 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.212 12.093 -5.824 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.764 13.610 -5.143 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.488 11.976 -6.375 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.985 12.881 -4.958 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.196 9.973 -5.160 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.498 10.697 -4.238 1.00 0.56 H new ATOM 917 N ASP A 62 0.213 12.119 -3.055 1.00 0.64 N ATOM 918 CA ASP A 62 -1.195 11.692 -2.894 1.00 0.72 C ATOM 919 C ASP A 62 -1.840 11.229 -4.206 1.00 0.61 C ATOM 920 O ASP A 62 -2.595 10.255 -4.223 1.00 0.65 O ATOM 921 CB ASP A 62 -2.037 12.806 -2.234 1.00 1.00 C ATOM 922 CG ASP A 62 -1.892 14.158 -2.911 1.00 1.28 C ATOM 923 OD1 ASP A 62 -2.463 14.381 -3.991 1.00 1.97 O ATOM 924 OD2 ASP A 62 -1.142 15.006 -2.385 1.00 1.40 O ATOM 0 H ASP A 62 0.400 13.039 -2.657 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.177 10.824 -2.235 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -3.087 12.513 -2.247 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -1.745 12.899 -1.188 1.00 1.00 H new ATOM 929 N ASP A 63 -1.504 11.901 -5.302 1.00 0.57 N ATOM 930 CA ASP A 63 -2.028 11.559 -6.634 1.00 0.62 C ATOM 931 C ASP A 63 -1.645 10.134 -7.008 1.00 0.52 C ATOM 932 O ASP A 63 -2.469 9.362 -7.482 1.00 0.65 O ATOM 933 CB ASP A 63 -1.449 12.525 -7.684 1.00 0.78 C ATOM 934 CG ASP A 63 -1.931 12.262 -9.110 1.00 1.29 C ATOM 935 OD1 ASP A 63 -1.427 11.312 -9.760 1.00 1.87 O ATOM 936 OD2 ASP A 63 -2.842 12.957 -9.592 1.00 1.94 O ATOM 0 H ASP A 63 -0.864 12.696 -5.300 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.114 11.643 -6.609 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -1.712 13.546 -7.406 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -0.361 12.458 -7.662 1.00 0.78 H new ATOM 941 N VAL A 64 -0.418 9.767 -6.674 1.00 0.42 N ATOM 942 CA VAL A 64 0.173 8.505 -7.088 1.00 0.39 C ATOM 943 C VAL A 64 -0.430 7.292 -6.346 1.00 0.33 C ATOM 944 O VAL A 64 -0.386 6.154 -6.842 1.00 0.37 O ATOM 945 CB VAL A 64 1.732 8.541 -6.976 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.380 7.271 -7.506 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.286 9.756 -7.711 1.00 0.56 C ATOM 0 H VAL A 64 0.201 10.342 -6.103 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.079 8.372 -8.140 1.00 0.39 H new ATOM 0 HB VAL A 64 1.976 8.612 -5.916 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.463 7.346 -7.406 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.021 6.414 -6.936 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.121 7.142 -8.557 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.373 9.769 -7.625 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.006 9.704 -8.763 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.876 10.665 -7.271 1.00 0.56 H new ATOM 957 N ALA A 65 -1.073 7.542 -5.216 1.00 0.35 N ATOM 958 CA ALA A 65 -1.703 6.502 -4.462 1.00 0.38 C ATOM 959 C ALA A 65 -2.948 6.053 -5.206 1.00 0.43 C ATOM 960 O ALA A 65 -3.242 4.873 -5.295 1.00 0.47 O ATOM 961 CB ALA A 65 -2.040 7.001 -3.067 1.00 0.44 C ATOM 0 H ALA A 65 -1.165 8.472 -4.808 1.00 0.35 H new ATOM 0 HA ALA A 65 -1.030 5.652 -4.351 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -2.519 6.202 -2.501 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -1.125 7.307 -2.559 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.718 7.852 -3.139 1.00 0.44 H new ATOM 967 N GLY A 66 -3.616 7.008 -5.829 1.00 0.49 N ATOM 968 CA GLY A 66 -4.793 6.704 -6.609 1.00 0.59 C ATOM 969 C GLY A 66 -4.430 6.199 -8.000 1.00 0.53 C ATOM 970 O GLY A 66 -5.303 5.875 -8.807 1.00 0.69 O ATOM 0 H GLY A 66 -3.361 7.995 -5.808 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.388 5.951 -6.092 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.413 7.596 -6.696 1.00 0.59 H new ATOM 974 N ARG A 67 -3.148 6.108 -8.280 1.00 0.45 N ATOM 975 CA ARG A 67 -2.690 5.666 -9.562 1.00 0.45 C ATOM 976 C ARG A 67 -2.320 4.189 -9.537 1.00 0.39 C ATOM 977 O ARG A 67 -1.937 3.628 -10.566 1.00 0.51 O ATOM 978 CB ARG A 67 -1.498 6.496 -10.046 1.00 0.56 C ATOM 979 CG ARG A 67 -1.749 7.991 -10.111 1.00 1.08 C ATOM 980 CD ARG A 67 -2.950 8.335 -10.966 1.00 1.48 C ATOM 981 NE ARG A 67 -3.270 9.762 -10.889 1.00 2.15 N ATOM 982 CZ ARG A 67 -4.408 10.325 -11.313 1.00 2.93 C ATOM 983 NH1 ARG A 67 -5.405 9.567 -11.769 1.00 3.24 N ATOM 984 NH2 ARG A 67 -4.567 11.640 -11.216 1.00 3.83 N ATOM 0 H ARG A 67 -2.403 6.339 -7.623 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.514 5.806 -10.262 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -0.652 6.312 -9.384 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.208 6.147 -11.037 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -1.901 8.376 -9.103 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -0.866 8.488 -10.512 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -2.751 8.061 -12.002 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -3.810 7.750 -10.640 1.00 1.48 H new ATOM 0 HE ARG A 67 -2.568 10.378 -10.478 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -5.303 8.552 -11.796 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -6.270 10.001 -12.091 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -3.824 12.216 -10.820 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -5.432 12.074 -11.538 1.00 3.83 H new ATOM 998 N VAL A 68 -2.402 3.555 -8.383 1.00 0.35 N ATOM 999 CA VAL A 68 -2.113 2.136 -8.324 1.00 0.34 C ATOM 1000 C VAL A 68 -3.392 1.319 -8.510 1.00 0.39 C ATOM 1001 O VAL A 68 -4.473 1.900 -8.746 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.294 1.691 -7.063 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.061 2.365 -7.056 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -2.023 1.989 -5.768 1.00 0.36 C ATOM 0 H VAL A 68 -2.659 3.986 -7.495 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.445 1.927 -9.159 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.168 0.610 -7.127 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.620 2.048 -6.176 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.611 2.086 -7.955 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.071 3.447 -7.032 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.415 1.662 -4.925 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.204 3.061 -5.691 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.975 1.458 -5.756 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.306 0.015 -8.395 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.476 -0.832 -8.629 1.00 0.49 C ATOM 1016 C ASP A 69 -4.394 -2.024 -7.734 1.00 0.40 C ATOM 1017 O ASP A 69 -5.294 -2.299 -6.936 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.501 -1.323 -10.082 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.842 -1.892 -10.480 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -6.756 -1.133 -10.829 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -6.001 -3.137 -10.433 1.00 0.86 O ATOM 0 H ASP A 69 -2.455 -0.488 -8.145 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.377 -0.252 -8.427 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -4.250 -0.495 -10.746 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.733 -2.084 -10.218 1.00 0.68 H new ATOM 1026 N THR A 70 -3.299 -2.718 -7.866 1.00 0.38 N ATOM 1027 CA THR A 70 -3.027 -3.870 -7.098 1.00 0.35 C ATOM 1028 C THR A 70 -1.933 -3.517 -6.080 1.00 0.33 C ATOM 1029 O THR A 70 -1.143 -2.574 -6.316 1.00 0.33 O ATOM 1030 CB THR A 70 -2.572 -5.001 -8.052 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.421 -4.560 -8.785 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.686 -5.318 -9.047 1.00 0.47 C ATOM 0 H THR A 70 -2.562 -2.481 -8.530 1.00 0.38 H new ATOM 0 HA THR A 70 -3.910 -4.213 -6.558 1.00 0.35 H new ATOM 0 HB THR A 70 -2.336 -5.890 -7.467 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.222 -5.202 -9.499 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.360 -6.115 -9.716 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.576 -5.639 -8.506 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.918 -4.427 -9.630 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.881 -4.209 -4.923 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.898 -3.947 -3.862 1.00 0.33 C ATOM 1042 C PRO A 71 0.547 -4.056 -4.336 1.00 0.29 C ATOM 1043 O PRO A 71 1.435 -3.410 -3.781 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.199 -5.019 -2.816 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.621 -5.356 -3.051 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.805 -5.278 -4.529 1.00 0.39 C ATOM 0 HA PRO A 71 -0.986 -2.927 -3.489 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.556 -5.890 -2.940 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -1.039 -4.646 -1.804 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.856 -6.353 -2.677 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.281 -4.659 -2.535 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.561 -6.222 -5.016 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.835 -5.039 -4.795 1.00 0.39 H new ATOM 1054 N ARG A 72 0.774 -4.828 -5.390 1.00 0.31 N ATOM 1055 CA ARG A 72 2.120 -5.007 -5.912 1.00 0.31 C ATOM 1056 C ARG A 72 2.640 -3.687 -6.512 1.00 0.29 C ATOM 1057 O ARG A 72 3.837 -3.439 -6.548 1.00 0.31 O ATOM 1058 CB ARG A 72 2.196 -6.143 -6.947 1.00 0.36 C ATOM 1059 CG ARG A 72 1.625 -5.813 -8.310 1.00 0.48 C ATOM 1060 CD ARG A 72 1.859 -6.942 -9.295 1.00 0.58 C ATOM 1061 NE ARG A 72 0.940 -8.064 -9.121 1.00 1.01 N ATOM 1062 CZ ARG A 72 1.292 -9.326 -8.864 1.00 1.40 C ATOM 1063 NH1 ARG A 72 2.483 -9.613 -8.336 1.00 1.35 N ATOM 1064 NH2 ARG A 72 0.405 -10.288 -9.052 1.00 2.47 N ATOM 0 H ARG A 72 0.049 -5.336 -5.896 1.00 0.31 H new ATOM 0 HA ARG A 72 2.759 -5.294 -5.077 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.240 -6.433 -7.069 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.668 -7.010 -6.550 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.556 -5.621 -8.222 1.00 0.48 H new ATOM 0 HG3 ARG A 72 2.083 -4.898 -8.687 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.761 -6.555 -10.309 1.00 0.58 H new ATOM 0 HD3 ARG A 72 2.883 -7.301 -9.189 1.00 0.58 H new ATOM 0 HE ARG A 72 -0.057 -7.866 -9.203 1.00 1.01 H new ATOM 0 HH11 ARG A 72 3.140 -8.863 -8.122 1.00 1.35 H new ATOM 0 HH12 ARG A 72 2.736 -10.583 -8.146 1.00 1.35 H new ATOM 0 HH21 ARG A 72 -0.531 -10.060 -9.388 1.00 2.47 H new ATOM 0 HH22 ARG A 72 0.656 -11.258 -8.861 1.00 2.47 H new ATOM 1078 N GLU A 73 1.721 -2.846 -6.976 1.00 0.28 N ATOM 1079 CA GLU A 73 2.084 -1.558 -7.543 1.00 0.28 C ATOM 1080 C GLU A 73 2.384 -0.564 -6.415 1.00 0.25 C ATOM 1081 O GLU A 73 3.253 0.287 -6.536 1.00 0.25 O ATOM 1082 CB GLU A 73 0.962 -1.020 -8.449 1.00 0.33 C ATOM 1083 CG GLU A 73 0.595 -1.937 -9.608 1.00 0.45 C ATOM 1084 CD GLU A 73 1.785 -2.286 -10.475 1.00 1.15 C ATOM 1085 OE1 GLU A 73 2.282 -1.418 -11.191 1.00 1.24 O ATOM 1086 OE2 GLU A 73 2.235 -3.442 -10.457 1.00 2.06 O ATOM 0 H GLU A 73 0.719 -3.036 -6.969 1.00 0.28 H new ATOM 0 HA GLU A 73 2.977 -1.685 -8.155 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.073 -0.848 -7.842 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.267 -0.053 -8.849 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.155 -2.854 -9.215 1.00 0.45 H new ATOM 0 HG3 GLU A 73 -0.167 -1.455 -10.221 1.00 0.45 H new ATOM 1093 N LEU A 74 1.667 -0.716 -5.305 1.00 0.27 N ATOM 1094 CA LEU A 74 1.849 0.132 -4.119 1.00 0.27 C ATOM 1095 C LEU A 74 3.233 -0.146 -3.564 1.00 0.25 C ATOM 1096 O LEU A 74 4.013 0.762 -3.277 1.00 0.25 O ATOM 1097 CB LEU A 74 0.785 -0.255 -3.061 1.00 0.30 C ATOM 1098 CG LEU A 74 0.593 0.673 -1.815 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.743 0.567 -0.828 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.410 2.119 -2.254 1.00 1.00 C ATOM 0 H LEU A 74 0.944 -1.427 -5.197 1.00 0.27 H new ATOM 0 HA LEU A 74 1.743 1.187 -4.371 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.176 -0.328 -3.570 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.029 -1.253 -2.696 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.306 0.333 -1.301 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.560 1.231 0.017 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.823 -0.460 -0.472 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.672 0.854 -1.320 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.278 2.752 -1.376 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.291 2.445 -2.807 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.470 2.197 -2.893 1.00 1.00 H new ATOM 1112 N LEU A 75 3.509 -1.423 -3.445 1.00 0.29 N ATOM 1113 CA LEU A 75 4.746 -1.946 -2.942 1.00 0.34 C ATOM 1114 C LEU A 75 5.928 -1.469 -3.799 1.00 0.29 C ATOM 1115 O LEU A 75 7.014 -1.151 -3.282 1.00 0.30 O ATOM 1116 CB LEU A 75 4.624 -3.450 -2.988 1.00 0.49 C ATOM 1117 CG LEU A 75 5.787 -4.232 -2.488 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.973 -4.022 -1.001 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.607 -5.685 -2.832 1.00 0.90 C ATOM 0 H LEU A 75 2.846 -2.152 -3.709 1.00 0.29 H new ATOM 0 HA LEU A 75 4.934 -1.599 -1.926 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.747 -3.738 -2.409 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.435 -3.744 -4.020 1.00 0.49 H new ATOM 0 HG LEU A 75 6.696 -3.880 -2.976 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.828 -4.603 -0.656 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.148 -2.965 -0.802 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.077 -4.347 -0.473 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.461 -6.254 -2.464 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.694 -6.059 -2.368 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.535 -5.797 -3.914 1.00 0.90 H new ATOM 1131 N ASP A 76 5.675 -1.372 -5.097 1.00 0.29 N ATOM 1132 CA ASP A 76 6.657 -0.922 -6.075 1.00 0.33 C ATOM 1133 C ASP A 76 7.071 0.503 -5.789 1.00 0.29 C ATOM 1134 O ASP A 76 8.262 0.826 -5.823 1.00 0.33 O ATOM 1135 CB ASP A 76 6.098 -1.019 -7.498 1.00 0.40 C ATOM 1136 CG ASP A 76 7.036 -0.438 -8.540 1.00 0.55 C ATOM 1137 OD1 ASP A 76 7.939 -1.168 -9.025 1.00 0.70 O ATOM 1138 OD2 ASP A 76 6.896 0.741 -8.901 1.00 0.63 O ATOM 0 H ASP A 76 4.770 -1.607 -5.506 1.00 0.29 H new ATOM 0 HA ASP A 76 7.528 -1.572 -5.997 1.00 0.33 H new ATOM 0 HB2 ASP A 76 5.901 -2.064 -7.736 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.143 -0.496 -7.544 1.00 0.40 H new ATOM 1143 N LEU A 77 6.081 1.333 -5.479 1.00 0.25 N ATOM 1144 CA LEU A 77 6.289 2.737 -5.152 1.00 0.25 C ATOM 1145 C LEU A 77 7.235 2.878 -3.970 1.00 0.26 C ATOM 1146 O LEU A 77 8.197 3.649 -4.016 1.00 0.32 O ATOM 1147 CB LEU A 77 4.962 3.390 -4.797 1.00 0.26 C ATOM 1148 CG LEU A 77 3.885 3.403 -5.872 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.640 4.086 -5.343 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.386 4.097 -7.130 1.00 0.38 C ATOM 0 H LEU A 77 5.103 1.046 -5.448 1.00 0.25 H new ATOM 0 HA LEU A 77 6.725 3.227 -6.023 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.559 2.882 -3.921 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.160 4.421 -4.505 1.00 0.26 H new ATOM 0 HG LEU A 77 3.638 2.374 -6.134 1.00 0.31 H new ATOM 0 HD11 LEU A 77 1.872 4.093 -6.117 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.272 3.546 -4.471 1.00 0.35 H new ATOM 0 HD13 LEU A 77 2.879 5.111 -5.061 1.00 0.35 H new ATOM 0 HD21 LEU A 77 3.600 4.094 -7.885 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.659 5.126 -6.894 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.259 3.569 -7.514 1.00 0.38 H new ATOM 1162 N ILE A 78 6.959 2.112 -2.925 1.00 0.25 N ATOM 1163 CA ILE A 78 7.758 2.120 -1.713 1.00 0.29 C ATOM 1164 C ILE A 78 9.199 1.750 -2.026 1.00 0.34 C ATOM 1165 O ILE A 78 10.109 2.555 -1.833 1.00 0.40 O ATOM 1166 CB ILE A 78 7.203 1.117 -0.662 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.765 1.482 -0.255 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.117 1.067 0.573 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.634 2.839 0.414 1.00 0.46 C ATOM 0 H ILE A 78 6.171 1.465 -2.896 1.00 0.25 H new ATOM 0 HA ILE A 78 7.712 3.128 -1.301 1.00 0.29 H new ATOM 0 HB ILE A 78 7.184 0.127 -1.119 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.132 1.464 -1.142 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.386 0.717 0.422 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.712 0.360 1.297 1.00 0.43 H new ATOM 0 HG22 ILE A 78 9.116 0.748 0.274 1.00 0.43 H new ATOM 0 HG23 ILE A 78 8.172 2.057 1.025 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.590 3.020 0.669 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.238 2.857 1.321 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.980 3.616 -0.268 1.00 0.46 H new ATOM 1181 N ASN A 79 9.395 0.535 -2.520 1.00 0.37 N ATOM 1182 CA ASN A 79 10.739 0.007 -2.768 1.00 0.46 C ATOM 1183 C ASN A 79 11.481 0.790 -3.835 1.00 0.40 C ATOM 1184 O ASN A 79 12.719 0.799 -3.868 1.00 0.45 O ATOM 1185 CB ASN A 79 10.713 -1.482 -3.115 1.00 0.62 C ATOM 1186 CG ASN A 79 10.183 -2.350 -1.986 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.266 -1.983 -0.811 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.706 -3.520 -2.322 1.00 0.56 N ATOM 0 H ASN A 79 8.641 -0.109 -2.759 1.00 0.37 H new ATOM 0 HA ASN A 79 11.286 0.127 -1.833 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.095 -1.631 -4.000 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.721 -1.806 -3.372 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.386 -4.166 -1.601 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.654 -3.786 -3.305 1.00 0.56 H new ATOM 1195 N GLY A 80 10.738 1.439 -4.708 1.00 0.38 N ATOM 1196 CA GLY A 80 11.339 2.275 -5.717 1.00 0.41 C ATOM 1197 C GLY A 80 11.890 3.547 -5.110 1.00 0.45 C ATOM 1198 O GLY A 80 13.049 3.887 -5.322 1.00 0.55 O ATOM 0 H GLY A 80 9.719 1.401 -4.736 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.140 1.730 -6.216 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.599 2.522 -6.478 1.00 0.41 H new ATOM 1202 N ALA A 81 11.071 4.214 -4.305 1.00 0.44 N ATOM 1203 CA ALA A 81 11.466 5.458 -3.657 1.00 0.51 C ATOM 1204 C ALA A 81 12.540 5.211 -2.596 1.00 0.54 C ATOM 1205 O ALA A 81 13.454 6.020 -2.422 1.00 0.69 O ATOM 1206 CB ALA A 81 10.255 6.144 -3.038 1.00 0.52 C ATOM 0 H ALA A 81 10.122 3.911 -4.085 1.00 0.44 H new ATOM 0 HA ALA A 81 11.889 6.114 -4.418 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.568 7.071 -2.558 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.525 6.366 -3.817 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.804 5.486 -2.296 1.00 0.52 H new ATOM 1212 N LEU A 82 12.447 4.076 -1.917 1.00 0.44 N ATOM 1213 CA LEU A 82 13.377 3.704 -0.877 1.00 0.50 C ATOM 1214 C LEU A 82 14.788 3.544 -1.434 1.00 0.60 C ATOM 1215 O LEU A 82 15.757 4.010 -0.831 1.00 0.70 O ATOM 1216 CB LEU A 82 12.912 2.403 -0.218 1.00 0.48 C ATOM 1217 CG LEU A 82 13.797 1.882 0.893 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.841 2.861 2.061 1.00 0.60 C ATOM 1219 CD2 LEU A 82 13.355 0.500 1.342 1.00 0.66 C ATOM 0 H LEU A 82 11.714 3.385 -2.079 1.00 0.44 H new ATOM 0 HA LEU A 82 13.403 4.498 -0.131 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.910 2.557 0.182 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.834 1.635 -0.987 1.00 0.48 H new ATOM 0 HG LEU A 82 14.810 1.790 0.501 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.484 2.462 2.846 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.236 3.818 1.719 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.834 3.004 2.454 1.00 0.60 H new ATOM 0 HD21 LEU A 82 14.009 0.151 2.141 1.00 0.66 H new ATOM 0 HD22 LEU A 82 12.329 0.547 1.707 1.00 0.66 H new ATOM 0 HD23 LEU A 82 13.409 -0.191 0.501 1.00 0.66 H new ATOM 1231 N ALA A 83 14.884 2.956 -2.620 1.00 0.64 N ATOM 1232 CA ALA A 83 16.163 2.670 -3.261 1.00 0.79 C ATOM 1233 C ALA A 83 16.946 3.943 -3.602 1.00 0.95 C ATOM 1234 O ALA A 83 18.168 3.898 -3.787 1.00 1.13 O ATOM 1235 CB ALA A 83 15.947 1.838 -4.507 1.00 0.86 C ATOM 0 H ALA A 83 14.074 2.663 -3.167 1.00 0.64 H new ATOM 0 HA ALA A 83 16.763 2.107 -2.546 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.908 1.631 -4.977 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.464 0.898 -4.238 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.313 2.385 -5.204 1.00 0.86 H new ATOM 1241 N GLU A 84 16.250 5.076 -3.679 1.00 0.95 N ATOM 1242 CA GLU A 84 16.869 6.332 -3.981 1.00 1.17 C ATOM 1243 C GLU A 84 17.585 6.882 -2.750 1.00 1.25 C ATOM 1244 O GLU A 84 18.548 7.631 -2.870 1.00 1.52 O ATOM 1245 CB GLU A 84 15.821 7.354 -4.399 1.00 1.23 C ATOM 1246 CG GLU A 84 14.902 6.953 -5.536 1.00 1.40 C ATOM 1247 CD GLU A 84 13.994 8.098 -5.941 1.00 1.80 C ATOM 1248 OE1 GLU A 84 13.473 8.804 -5.051 1.00 2.47 O ATOM 1249 OE2 GLU A 84 13.776 8.307 -7.159 1.00 2.17 O ATOM 0 H GLU A 84 15.242 5.132 -3.531 1.00 0.95 H new ATOM 0 HA GLU A 84 17.579 6.163 -4.790 1.00 1.17 H new ATOM 0 HB2 GLU A 84 15.206 7.588 -3.530 1.00 1.23 H new ATOM 0 HB3 GLU A 84 16.334 8.273 -4.683 1.00 1.23 H new ATOM 0 HG2 GLU A 84 15.497 6.637 -6.393 1.00 1.40 H new ATOM 0 HG3 GLU A 84 14.299 6.097 -5.234 1.00 1.40 H new ATOM 1256 N ALA A 85 17.106 6.514 -1.579 1.00 1.13 N ATOM 1257 CA ALA A 85 17.622 7.060 -0.345 1.00 1.31 C ATOM 1258 C ALA A 85 18.482 6.062 0.414 1.00 1.69 C ATOM 1259 O ALA A 85 19.470 6.444 1.042 1.00 2.07 O ATOM 1260 CB ALA A 85 16.482 7.551 0.530 1.00 1.28 C ATOM 0 H ALA A 85 16.355 5.834 -1.458 1.00 1.13 H new ATOM 0 HA ALA A 85 18.264 7.901 -0.607 1.00 1.31 H new ATOM 0 HB1 ALA A 85 16.885 7.960 1.457 1.00 1.28 H new ATOM 0 HB2 ALA A 85 15.926 8.326 0.002 1.00 1.28 H new ATOM 0 HB3 ALA A 85 15.816 6.720 0.760 1.00 1.28 H new ATOM 1266 N ALA A 86 18.119 4.808 0.367 1.00 1.91 N ATOM 1267 CA ALA A 86 18.836 3.784 1.082 1.00 2.53 C ATOM 1268 C ALA A 86 19.094 2.607 0.169 1.00 2.95 C ATOM 1269 O ALA A 86 20.187 2.518 -0.416 1.00 3.39 O ATOM 1270 CB ALA A 86 18.053 3.346 2.315 1.00 3.21 C ATOM 1271 OXT ALA A 86 18.216 1.761 0.005 1.00 3.44 O ATOM 0 H ALA A 86 17.319 4.467 -0.167 1.00 1.91 H new ATOM 0 HA ALA A 86 19.793 4.188 1.414 1.00 2.53 H new ATOM 0 HB1 ALA A 86 18.609 2.572 2.843 1.00 3.21 H new ATOM 0 HB2 ALA A 86 17.905 4.201 2.975 1.00 3.21 H new ATOM 0 HB3 ALA A 86 17.084 2.952 2.009 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -7.246 8.879 -3.247 1.00 1.71 P HETATM 1279 O26 SDO A 101 -7.940 8.410 -4.558 1.00 2.14 O HETATM 1280 O23 SDO A 101 -6.074 8.077 -2.695 1.00 2.28 O HETATM 1281 O27 SDO A 101 -6.819 10.357 -3.427 1.00 1.72 O HETATM 1282 C28 SDO A 101 -6.189 11.015 -2.265 1.00 1.71 C HETATM 1283 C29 SDO A 101 -6.249 12.537 -2.393 1.00 1.77 C HETATM 1284 C30 SDO A 101 -5.610 13.104 -1.135 1.00 1.95 C HETATM 1285 C31 SDO A 101 -5.522 12.966 -3.604 1.00 1.99 C HETATM 1286 C32 SDO A 101 -7.753 12.978 -2.514 1.00 2.08 C HETATM 1287 O33 SDO A 101 -8.419 12.317 -3.586 1.00 2.35 O HETATM 1288 C34 SDO A 101 -8.010 14.494 -2.600 1.00 2.45 C HETATM 1289 O35 SDO A 101 -7.173 15.362 -2.281 1.00 3.01 O HETATM 1290 N36 SDO A 101 -9.227 14.789 -3.014 1.00 2.76 N HETATM 1291 C37 SDO A 101 -9.762 16.144 -3.158 1.00 3.46 C HETATM 1292 C38 SDO A 101 -10.582 16.566 -1.921 1.00 3.69 C HETATM 1293 C39 SDO A 101 -9.742 16.560 -0.646 1.00 3.12 C HETATM 1294 O40 SDO A 101 -9.062 17.536 -0.311 1.00 3.47 O HETATM 1295 N41 SDO A 101 -9.767 15.422 0.029 1.00 2.75 N HETATM 1296 C42 SDO A 101 -9.015 15.177 1.237 1.00 2.56 C HETATM 1297 C43 SDO A 101 -9.590 14.051 2.037 1.00 3.16 C HETATM 1298 S1 SDO A 101 -8.551 13.286 3.308 1.00 3.65 S HETATM 1299 C1 SDO A 101 -6.872 13.954 3.494 1.00 3.41 C HETATM 1300 C2 SDO A 101 -6.407 15.108 2.607 1.00 3.06 C HETATM 1301 C3 SDO A 101 -4.935 15.694 2.771 1.00 3.84 C HETATM 1302 O3 SDO A 101 -4.623 16.640 2.019 1.00 4.23 O HETATM 1303 C4 SDO A 101 -3.826 15.197 3.800 1.00 4.62 C HETATM 1304 C5 SDO A 101 -4.162 14.052 4.749 1.00 4.78 C HETATM 1305 C6 SDO A 101 -3.003 13.668 5.650 1.00 5.75 C HETATM 1306 C7 SDO A 101 -3.322 12.484 6.583 1.00 6.28 C HETATM 1307 O7 SDO A 101 -2.476 12.064 7.381 1.00 7.10 O HETATM 1308 C8 SDO A 101 -4.706 11.842 6.517 1.00 6.09 C